Iridium alloys have been utilized as structural materials for certain high-temperature applications, due to their superior strength and ductility at elevated temperatures. The mechanical properties, including failure response at high strain rates and elevated temperatures of the iridium alloys need to be characterized to better understand high-speed impacts at elevated temperatures. A DOP-26 iridium alloy has been dynamically characterized in compression at elevated temperatures with high-temperature Kolsky compression bar techniques. However, the dynamic high-temperature compression tests were not able to provide sufficient dynamic high-temperature failure information of the iridium alloy. In this study, we modified current room-temperature Kolsky tension bar techniques for obtaining dynamic tensile stress-strain curves of the DOP-26 iridium alloy at two different strain rates (~1000 and ~3000 s-1) and temperatures (~750°C and ~1030°C). The effects of strain rate and temperature on the tensile stress-strain response of the iridium alloy were determined. The DOP-26 iridium alloy exhibited high ductility in stress-strain response that strongly depended on both strain rate and temperature.
This exploratory LDRD targeted the use of a new high resolution spectroscopic diffusion capabilities developed at Sandia to resolve transport processes at interfaces in heterogeneous polymer materials. In particular, the combination of high resolution magic angle spinning (HRMAS) nuclear magnetic resonance (NMR) spectroscopy with pulsed field gradient (PFG) diffusion experiments were used to directly explore interface diffusion within heterogeneous polymer composites, including measuring diffusion for individual chemical species in multi-component mixtures. Several different types of heterogeneous polymer systems were studied using these HRMAS NMR diffusion capabilities to probe the resolution limitations, determine the spatial length scales involved, and explore the general applicability to specific heterogeneous systems. The investigations pursued included a) the direct measurement of the diffusion for poly(dimethyl siloxane) polymer (PDMS) on nano-porous materials, b) measurement of penetrant diffusion in additive manufactures (3D printed) processed PDMS composites, and c) the measurement of diffusion in swollen polymers/penetrant mixtures within nano-confined aluminum oxide membranes. The NMR diffusion results obtained were encouraging and allowed for an improved understanding of diffusion and transport processes at the molecular level, while at the same time demonstrating that the spatial heterogeneity that can be resolved using HRMAS NMR PFG diffusion experiment must be larger than ~μm length scales, expect for polymer transport within nanoporous carbons where additional chemical resolution improves the resolvable heterogeneous length scale to hundreds of nm.
Diffuse reflectance IR spectroscopy (DRIFTS) was used to investigate the effect of accelerated aging on LiSi based anodes in simulated MC3816 batteries. DRIFTS spectra showed that the oxygen, carbonate, hydroxide and sulfur content of the anodes changes with aging times and temperatures, but not in a monotonic fashion that could be correlated to phase evolution. Bands associated with sulfur species were only observed in anodes taken from batteries aged in wet environments, providing further evidence for a reaction pathway facilitated by H2S transport from the cathode, through the separator, to the anode. Loss of battery capacity with accelerated aging in wet environments was correlated to loss of FeS2 in the catholyte pellets, suggesting that the major contribution to battery performance degradation results from loss of active cathode material.
Current austenitic stainless steel storage reservoirs for hydrogen isotopes (e.g. deuterium and tritium) have performance and operational life-limiting interactions (e.g. embrittlement) with H-isotopes. Aluminum alloys (e.g.AA2219), alternatively, have very low H-isotope solubilities, suggesting high resistance towards aging vulnerabilities. This report summarizes the work performed during the life of the Lab Directed Research and Development in the Nuclear Weapons investment area (165724), and provides invaluable modeling and experimental insights into the interactions of H isotopes with surfaces and bulk AlCu-alloys. The modeling work establishes and builds a multi-scale framework which includes: a density functional theory informed bond-order potential for classical molecular dynamics (MD), and subsequent use of MD simulations to inform defect level dislocation dynamics models. Furthermore, low energy ion scattering and thermal desorption spectroscopy experiments are performed to validate these models and add greater physical understanding to them.
The nature of geologic disposal of nuclear waste in salt formations requires validated and verified two - phase flow models of transport of brine and gas through intact, damaged, and consolidating crushed salt. Such models exist in oth er realms of subsurface engineering for other lithologic classes (oil and gas, carbon sequestration etc. for clastics and carbonates) but have never been experimentally validated and parameterized for salt repository scenarios or performance assessment. Mo dels for waste release scenarios in salt back - fill require phenomenological expressions for capillary pressure and relative permeability that are expected to change with degree of consolidation, and require experimental measurement to parameterize and vali date. This report describes a preliminary assessment of the influence of consolidation (i.e. volume strain or porosity) on capillary entry pressure in two phase systems using mercury injection capillary pressure (MICP). This is to both determine the potent ial usefulness of the mercury intrusion porosimetry method, but also to enable a better experimental design for these tests. Salt consolidation experiments are performed using novel titanium oedometers, or uniaxial compression cells often used in soil mech anics, using sieved run - of - mine salt from the Waste Isolation Pilot Plant (WIPP) as starting material. Twelve tests are performed with various starting amounts of brine pore saturation, with axial stresses up to 6.2 MPa (%7E900 psi) and temperatures to 90 o C. This corresponds to UFD Work Package 15SN08180211 milestone "FY:15 Transport Properties of Run - of - Mine Salt Backfill - Unconsolidated to Consolidated". Samples exposed to uniaxial compression undergo time - dependent consolidation, or creep, to various deg rees. Creep volume strain - time relations obey simple log - time behavior through the range of porosities (%7E50 to 2% as measured); creep strain rate increases with temperature and applied stress as expected. Mercury porosimetry is used to determine characteri stic capillary pressure curves from a series of consolidation tests and show characteristic saturation - capillary pressure curves that follow the common van Genuchten (1978, 1980) formulation at low stresses. Higher capillary pressure data are suspect due t o the large potential for sample damage, including fluid inclusion decrepitation and pore collapse. Data are supportive of use of the Leverett "J" function (Leverett, 1941) to use for scaling characteristic curves at different degrees of consolidation, but better permeability determinations are needed to support this hypothesis. Recommendations for further and refined testing are made with the goal of developing a self - consistent set of constitutive laws for granular salt consolidation and multiphase (brin e - air) flow.
A single-axis MEMS wall shear stress sensor with differential capacitive transduction method is produced. Using a synchronous modulation and demodulation interface circuit, the system is capable of making real time measurements of both mean and fluctuating wall shear stress. A sensitivity of 3.44 mV/Pa is achieved, with linearity in response demonstrated up to testing limit of 2 Pa. Minimum detectable signals of 340 μPa at 100 Hz and 120 μPa at 1 kHz are indicated, with a resonance of 3.5 kHz. Multiple full scale wind tunnel tests are performed, producing spectral measurements of turbulent boundary layers in wind speeds ranging up to 0.5 Ma (18 Pa of mean wall shear stress). The compact packaging allows for minimally invasive installation, and has proven relatively robust over multiple testing events. Temperature sensitivity, likely due to poor CTE matching of packaged materials, is an ongoing concern being addressed. These successes are being directly leveraged into a development plan for a dual-axis wall shear stress sensor, capable of producing true vector estimates at the wall.
Predictive simulation capabilities for modeling fracture evolution provide further insight into quantities of interest in comparison to experimental testing. Based on the variational approach to fracture, the advent of phase-field modeling achieves the goal to robustly model fracture for brittle materials and captures complex crack topologies in three dimensions.
According to theory, seismic methods should be able to identify cavities. The high impedance contrast between the rock (fast velocity, high density) and the air (slow velocity, low density) should produce strong reflections and refractions off cavity walls. In practice, however, cavities are not always easily detected. Changes in pore saturation, fracturing, and stress near the wall of the cavity may decrease the impedance contrast and diffuse the rock/air interface. To determine the impact of these effects on seismic waves, we first aim to understand the hydrological processes in the medium surrounding the cavity, a tunnel in this case. We simulate flow through the vadose zone to provide insight into how a cavity alters saturation. Next we examine how this saturation affects seismic velocities. Finally, we use a wave propagation code to simulate seismic waves through the saturation models. Results are presented from hydrology models for three cases: the tunnel far above the water table, the tunnel just above the water table and within the capillary fringe, and the tunnel below the water table with the tunnel being drained. We also present the results of seismic wave propagation through these models to determine the impact these effects have on seismic waves.
In parallel with Sandia National Laboratories having two major locations (NM and CA), along with a number of smaller facilities across the nation, so too is the distribution of scientific, engineering and computing resources. As a part of Sandia’s Institutional Computing Program, CA site-based Sandia computer scientists and engineers have been providing mission and research staff with local CA resident expertise on computing options while also focusing on two growing high performance computing research problems. The first is how to increase system resilience to failure, as machines grow larger, more complex and heterogeneous. The second is how to ensure that computer hardware and configurations are optimized for specialized data analytical mission needs within the overall Sandia computing environment, including the HPC subenvironment. All of these activities support the larger Sandia effort in accelerating development and integration of high performance computing into national security missions. Sandia continues to both promote national R&D objectives, including the recent Presidential Executive Order establishing the National Strategic Computing Initiative and work to ensure that the full range of computing services and capabilities are available for all mission responsibilities, from national security to energy to homeland defense.
There is strong interest in minimizing the volume of lasers to enable ultracompact, low-power, coherent light sources. Nanowires represent an ideal candidate for such nanolasers as stand-alone optical cavities and gain media, and optically pumped nanowire lasing has been demonstrated in several semiconductor systems. Electrically injected nanowire lasers are needed to realize actual working devices but have been elusive due to limitations of current methods to address the requirement for nanowire device heterostructures with high material quality, controlled doping and geometry, low optical loss, and efficient carrier injection. In this project we proposed to demonstrate electrically injected single nanowire lasers emitting in the important UV to visible wavelengths. Our approach to simultaneously address these challenges is based on high quality III-nitride nanowire device heterostructures with precisely controlled geometries and strong gain and mode confinement to minimize lasing thresholds, enabled by a unique top-down nanowire fabrication technique.
This presentation provides a background of what led to the international emphasis on nuclear security and describes how nuclear security is effectively implemented so as to preserve the societal benefits of nuclear and radioactive materials.
Large-scale datasets in computational chemistry typically require distributed-memory parallel methods to perform a special operation known as tensor contraction. Tensors are multidimensional arrays, and a tensor contraction is akin to matrix multiplication with special types of permutations. Creating an efficient algorithm and optimized im- plementation in this domain is complex, tedious, and error-prone. To address this, we develop a notation to express data distributions so that we can apply use automated methods to find optimized implementations for tensor contractions. We consider the spin-adapted coupled cluster singles and doubles method from computational chemistry and use our methodology to produce an efficient implementation. Experiments per- formed on the IBM Blue Gene/Q and Cray XC30 demonstrate impact both improved performance and reduced memory consumption.
The purpose of this project is to prove (or disprove) that a reasonable number of simple tests can be used to provide a unique data signature for materials, changes in which could serve as a harbinger of material deviation, prompting further evaluations. The routine tests are mutually orthogonal to any currently required materials specification tests.
The purpose of this report is to investigate a partial differential equation (PDE) constrained optimization approach for estimating the velocity field given image data for use within digital image correlation (DIC). We first introduce the problem and the standard DIC approach and then demonstrate why the DIC problem is ill-posed and introduce a standard regularization of the problem. We also demonstrate that the functional used is sensitive and robust via a sequence of experiments given by a stochastic model inducing the PDE constraint.
It is well known that nanostructured metals can exhibit significantly improved properties compared to metals with conventional grain size. Unfortunately, nanocrystalline metals typically are not thermodynamically stable and exhibit rapid grain growth at moderate temperatures. This severely limits their processing and use, making them impractical for most engineering applications. Recent work has shown that a number of thermodynamically stable nanocrystalline metal alloys exist. These alloys have been prepared as powders using severe plastic deformation (e.g. ball milling) processes. Consolidation of these powders without compromise of their nanocrystalline microstructure is a critical step to enabling their use as engineering materials. We demonstrate solid-state consolidation of ball milled copper-tantalum nanocrystalline metal powder using cold spray. Unfortunately, the nanocrystalline copper-tantalum powder that was consolidated did not contain the thermodynamically stable copper-tantalum nanostructure. Nevertheless, this does this demonstrates a pathway to preparation of bulk thermodynamically stable nanocrystalline copper-tantalum. Furthermore, it demonstrates a pathway to additive manufacturing (3D printing) of nanocrystalline copper-tantalum. Additive manufacturing of thermodynamically stable nanocrystalline metals is attractive because it enables maximum flexibility and efficiency in the use of these unique materials.
Optical fluorescence-based DNA assays are commonly used for pathogen detection and consist of an optical substrate containing DNA capture molecules, binding of target RNA or DNA sequences, followed by detection of the hybridization event with a fluorescent probe. Though fluorescence detection can offer exquisite signal-to-background ratios, with high specificity, vast opportunities exist to improve current optical-based genomic sensing approaches. For these reasons, there is a clear need to explore alternative optical sensing paradigms to alleviate these restrictions. Bio-templated nanomaterial synthesis has become a powerful concept for developing new platforms for bio-sensing, as the biomolecule of interest can act as part of the sensing transducer mechanism. We explored the use of DNA origami structures to immobilize gold nanoparticles in very precise localized arrangements producing unique optical absorption properties with implications in novel DNA sensing schemes. We also explored the use of in-situ TEM as a novel characterization method for DNA-nanoparticle assemblies.
In this LDRD project, we developed a capability for quantitative high - speed imaging measurements of high - pressure fuel injection dynamics to advance understanding of turbulent mixing in transcritical flows, ignition, and flame stabilization mechanisms, and to provide e ssential validation data for developing predictive tools for engine combustion simulations. Advanced, fuel - efficient engine technologies rely on fuel injection into a high - pressure, high - temperature environment for mixture preparation and com bustion. Howe ver, the dynamics of fuel injection are not well understood and pose significant experimental and modeling challenges. To address the need for quantitative high - speed measurements, we developed a Nd:YAG laser that provides a 5ms burst of pulses at 100 kHz o n a robust mobile platform . Using this laser, we demonstrated s patially and temporally resolved Rayleigh scattering imaging and particle image velocimetry measurements of turbulent mixing in high - pressure gas - phase flows and vaporizing sprays . Quantitativ e interpretation of high - pressure measurements was advanced by reducing and correcting interferences and imaging artifacts.
This report summarizes a NEAMS (Nuclear Energy Advanced Modeling and Simulation) project focused on sensitivity analysis of a fuels performance benchmark problem. The benchmark problem was defined by the Uncertainty Analysis in Modeling working group of the Nuclear Science Committee, part of the Nuclear Energy Agency of the Organization for Economic Cooperation and Development (OECD ). The benchmark problem involv ed steady - state behavior of a fuel pin in a Pressurized Water Reactor (PWR). The problem was created in the BISON Fuels Performance code. Dakota was used to generate and analyze 300 samples of 17 input parameters defining core boundary conditions, manuf acturing tolerances , and fuel properties. There were 24 responses of interest, including fuel centerline temperatures at a variety of locations and burnup levels, fission gas released, axial elongation of the fuel pin, etc. Pearson and Spearman correlatio n coefficients and Sobol' variance - based indices were used to perform the sensitivity analysis. This report summarizes the process and presents results from this study.
The Microgrid Design Toolkit (MDT) is a decision support software tool for microgrid designers to use during the microgrid design process. The models that support the two main capabilities in MDT are described. The first capability, the Microgrid Sizing Capability (MSC), is used to determine the size and composition of a new microgrid in the early stages of the design process. MSC is a mixed-integer linear program that is focused on developing a microgrid that is economically viable when connected to the grid. The second capability is focused on refining a microgrid design for operation in islanded mode. This second capability relies on two models: the Technology Management Optimization (TMO) model and Performance Reliability Model (PRM). TMO uses a genetic algorithm to create and refine a collection of candidate microgrid designs. It uses PRM, a simulation based reliability model, to assess the performance of these designs. TMO produces a collection of microgrid designs that perform well with respect to one or more performance metrics.
Post-Moore's law scaling is creating a disruptive shift in simulation workflows, as saving the entirety of raw data to persistent storage becomes expensive. We are moving away from a post-process centric data analysis paradigm towards a concurrent analysis framework, in which raw simulation data is processed as it is computed. Algorithms must adapt to machines with extreme concurrency, low communication bandwidth, and high memory latency, while operating within the time constraints prescribed by the simulation. Furthermore, in- put parameters are often data dependent and cannot always be prescribed. The study of sublinear algorithms is a recent development in theoretical computer science and discrete mathematics that has significant potential to provide solutions for these challenges. The approaches of sublinear algorithms address the fundamental mathematical problem of understanding global features of a data set using limited resources. These theoretical ideas align with practical challenges of in-situ and in-transit computation where vast amounts of data must be processed under severe communication and memory constraints. This report details key advancements made in applying sublinear algorithms in-situ to identify features of interest and to enable adaptive workflows over the course of a three year LDRD. Prior to this LDRD, there was no precedent in applying sublinear techniques to large-scale, physics based simulations. This project has definitively demonstrated their efficacy at mitigating high performance computing challenges and highlighted the rich potential for follow-on re- search opportunities in this space.
In this report we explore the sensitivities of the insulation resistance between two loops of wire embedded in insulating materials with a simple, approximate model. We discuss limita- tions of the model and ideas for improvements.
V arious phenomenological delamination initiation criteria are analyzed in quasi - static punch - shear tests conducted on six different geometries. These six geometries are modeled and analyzed using elastic, large - deformation finite element analysis. Analysis output is post - processed to assess different delamination initiation criteria, and their applicability to each of the geometries. These criteria are compared to test results to assess whether or not they are appropriate based on what occurred in testing. Further, examinations of CT scans and ultrasonic images o f test specimens are conducted in the appendix to determine the sequence of failure in each test geometry.
Human performance has become a pertinent issue within cyber security. However, this research has been stymied by the limited availability of expert cyber security professionals. This is partly attributable to the ongoing workload faced by cyber security professionals, which is compound ed by the limited number of qualified personnel and turnover of personnel across organizations. Additionally, it is difficult to conduct research, and particularly, openly published research, due to the sensitivity inherent to cyber ope rations at most organizations. As an alternative, the current research has focused on data collection during cyber security training exercises. These events draw individuals with a range of knowledge and experience extending from seasoned professionals to recent college graduates to college students. The current paper describes research involving data collection at two separate cyber security exercises. This data collection involved multiple measures which included behavioral performance based on human - machine transactions and questionnaire - based assessments of cyber security experience.
The results described in this report are an analysis of nationwide surveys, administered between 2006 and 2015, which measure preferences of US residents concerning the environment and energy sources. The Energy & Environment (EE) survey series is conducted annually by the Center for Energy, Security & Society (CES&S), a joint research collaboration of the University of Oklahoma and Sandia National Laboratories. The annual EE survey series is designed to track evolving public views on nuclear materials management in the US. The 2015 wave of the Energy and Environment survey (EE15) was implemented using a web-based questionnaire, and was completed by 2,021 respondents using an Internet sample that matches the characteristics of the adult US population as estimated in the US Census. A special focus of the EE15 survey is how survey respondents understand and evaluate “consent” in the context of the storage and transportation of spent nuclear fuel (SNF). This report presents an overview of key results from analyses of questions related to consent-based siting and other elements of the nuclear energy fuel cycle.
Achieving practical exascale supercomputing will require massive increases in energy efficiency. The bulk of this improvement will likely be derived from hardware advances such as improved semiconductor device technologies and tighter integration, hopefully resulting in more energy efficient computer architectures. Still, software will have an important role to play. With every generation of new hardware, more power measurement and control capabilities are exposed. Many of these features require software involvement to maximize feature benefits. This trend will allow algorithm designers to add power and energy efficiency to their optimization criteria. Similarly, at the system level, opportunities now exist for energy-aware scheduling to meet external utility constraints such as time of day cost charging and power ramp rate limitations. Finally, future architectures might not be able to operate all components at full capability for a range of reasons including temperature considerations or power delivery limitations. Software will need to make appropriate choices about how to allocate the available power budget given many, sometimes conflicting considerations.
Snell, Madison M.; Pruitt, Courtney J.; Curran, Kelsey L.F.
The purpose of this analysis is to compare the toxic endpoints (e.g., ERPG-2, ERPG-3, AEGL-2 AEGL-3, PAC-2, and PAC-3) at both the 15-minute and the 60-minute release periods against the existing Industrial Facilities Safety Basis (IFSB) Guidance Protocol for classifying facilities at Sandia National Laboratories (SNL). In this analysis, specific toxic chemicals are modeled with exposure limits at 100 meters (m) to understand the impacts on facility hazard classification.
Lerman, Micheal W.; Cairns, Douglas S.; Nelson, Jared W.
Defects in materials can reduce strengths and lifetimes of manufactured parts. The number of possible defects increases with the complexity inherent in composite materials. The wind industry uses composite wind turbine blades in which the manufacturing process induces a number of defects. In order for the wind industry to continue sustainable expansion, the effects of defects must be better understood. In-plane (IP) fiber waviness is the focus of this work. The three main parts of this work include testing on the coupon level, modeling on the coupon level, and testing of beams in four-point bending (with and without defects). The coupon level testing includes partial IP waves, similar to those in manufactured parts, rather than full width IP waves. This allows investigation into complex interactions and varying failure mechanisms caused by the fiber misalignment gradient. Partial waves are also modeled to both validate testing as well as to increase robustness of a previously developed progressive damage modeling method. Lastly, a sandwich beam test specimen for testing in 4-point bending is developed to investigate the effects of fiber waviness in both tension and compression when loaded in flexure.
This report seeks to verify the proper implemention of RKPM within Sierra by comparing the results from several basic example problems excecuted with RKPM against the analytical and FEM solutions for these same problems. This report was compiled as a summer student intern project.
The impact of surface film formation on Mg is explored during electrodeposition and electrodissolution in two high activity, aprotic electrolytes: the all phenyl complex (APC) and the magnesium aluminum chloride complex (MACC). Where past studies have argued such films are benign, results show that interfacial films are responsible for controlling the Mg deposit structure when deposition and dissolution are conducted at the rates required for practical Mg batteries. Chronopotentiometry is shown to provide clear signatures of the impact of interfacial films on deposition and dissolution. The particular combination of cycling punctuated by periods of open circuit equilibration is shown to yield a noticeable decrease in coulombic efficiency over a 50 cycle sequence. High resolution electron imaging shows that cycling results in porosity development and accumulation of electrolyte constituents within the deposit. Reduced coulombic efficiency signaling Mg loss appears related to progressive isolation of a fraction of the deposit. Mg and electrolyte loss must be compensated for in a practical cell through the introduction of excess inventory and resulting in a reduced energy density of the system.
Haque, Ahsanul; Khan, Latifur; Baron, Michael; Ingram, Joe B.
Most approaches to classifying evolving data streams either divide the stream of data into fixed-size chunks or use gradual forgetting to address the problems of infinite length and concept drift. Finding the fixed size of the chunks or choosing a forgetting rate without prior knowledge about time-scale of change is not a trivial task. As a result, these approaches suffer from a trade-off between performance and sensitivity. To address this problem, we present a framework which uses change detection techniques on the classifier performance to determine chunk boundaries dynamically. Though this framework exhibits good performance, it is heavily dependent on the availability of true labels of data instances. However, labeled data instances are scarce in realistic settings and not readily available. Therefore, we present a second framework which is unsupervised in nature, and exploits change detection on classifier confidence values to determine chunk boundaries dynamically. In this way, it avoids the use of labeled data while still addressing the problems of infinite length and concept drift. Moreover, both of our proposed frameworks address the concept evolution problem by detecting outliers having similar values for the attributes. We provide theoretical proof that our change detection method works better than other state-of-the-art approaches in this particular scenario. Results from experiments on various benchmark and synthetic data sets also show the efficiency of our proposed frameworks.
The aim of this paper is evaluating the efficiency of a novel combined solar-nuclear cycle. CFD-Thermal analysis is performed to apply the available surplus heat from the nuclear cycle and measure the available kinetic energy of air for the turbine of a solar chimney power plant system (SCPPS). The presented idea helps to decrease the thermal pollution and handle the water shortage supply for water plant by replacing the cooling tower by solar chimney power plant to get the surplus heat from the available warm air in the secondary loop of the reactor. By applying this idea to a typical 1000 MW nuclear power plant with a 0.33 thermal efficiency, we can increase it to 0.39.
The real-world effect of accumulated surface roughness on wind-turbine power production is not well understood. To isolate specific blade roughness features and test their effect, field measurements of turbine-blade roughness were made and simulated on a NACA 633-418 airfoil in a wind tunnel. Insect roughness, paint chips, and erosion were characterized then manufactured. In the tests, these roughness configurations were recreated as distributed roughness, a forward-facing step, and an eroded leading edge. Distributed roughness was tested in three heights and five densities. Chord Reynolds number was varied between 0:8 to 4:8 × 106. Measurements included lift, drag, pitching moment, and boundary-layer transition location. Results indicate minimal effect from paint-chip roughness. As distributed roughness height and density increase, the lift-curve slope, maximum lift, and lift-to-drag ratio decrease. As Reynolds number increases, natural transition is replaced by bypass transition. The critical roughness Reynolds number varies between 178 to 318, within the historical range. At a chord Reynolds number of 3:2 × 106, the maximum lift-to-drag ratio decreases 40% for 140 μm roughness, corresponding to a 2.3% loss in annual energy production. Simulated performance loss compares well to measured performance loss of an in-service wind turbine.
The prediction of macro-scale friction and wear behavior based on first principles and material properties has remained an elusive but highly desirable target for tribologists and material scientists alike. Stochastic processes (e.g. wear), statistically described parameters (e.g. surface topography) and their evolution tend to defeat attempts to establish practical general correlations between fundamental nanoscale processes and macro-scale behaviors. We present a model based on microstructural stability and evolution for the prediction of metal friction regimes, founded on recently established microstructural deformation mechanisms of nanocrystalline metals, that relies exclusively on material properties and contact stress models. We show through complementary experimental and simulation results that this model overcomes longstanding practical challenges and successfully makes accurate and consistent predictions of friction transitions for a wide range of contact conditions. This framework not only challenges the assumptions of conventional causal relationships between hardness and friction, and between friction and wear, but also suggests a pathway for the design of higher performance metal alloys.
We consider the sequence of sparse matrix-matrix multiplications performed during the setup phase of algebraic multigrid. In particular, we show that the most commonly used parallel algorithm is often not the most communication-efficient one for all of the matrix-matrix multiplications involved. By using an alternative algorithm, we show that the communication costs are reduced (in theory and practice), and we demonstrate the performance benefit for both model (structured) and more realistic unstructured problems on large-scale distributed-memory parallel systems. Our theoretical analysis shows that we can reduce communication by a factor of up to 5.4 for a model problem, and we observe in our empirical evaluation communication reductions of factors up to 4.7 for structured problems and 3.7 for unstructured problems. These reductions in communication translate to run-time speedups of up to factors of 2.3 and 2.5, respectively.
Heterogeneous nucleation of methane hydrates has been examined using molecular simulation, experimental bulk synthesis, and scanning probe microscopy. Theoretical nucleation rates were determined using molecular dynamics simulations as a function of clay surface represented by hydrophobic and hydrophilic systems. Methane hydrates were synthesized with and without Na-montmorillonite in a bulk reactor pressure assembly. X-ray diffraction and Raman spectroscopy confirm the nucleation and growth of the synthesized hydrates. Various kinetic pathways were explored to produce methane or isobutene clathrates in an ultra-high vacuum apparatus at very low temperatures but scanning probe microscopy only indicates the formation of ice.
This report describes measurements of the time delay between the onset of corona and complete electrical breakdown between a point and a plane in dry air near atmospheric pressure as a function of the distance between the point and the plane. The large variation in these time delays is representative of the stochastic nature of electrical breakdown and the many possible phenomena that occur between the initiation and completion of electrical breakdown, including initiation without complete electrical breakdown. The purpose of this work is to provide data which will be accurately modeled when a model contains the appropriate mechanisms with the proper priorities to describe this fundamental electrical breakdown configuration. The acquisition of these measurements completes a level three milestone for the WSEAT program which sponsors this research. Also included in this report is a description of our plans to “automate” the experimental procedure, protect the high sensitivity fast-gated camera, and add diagnostics and new experimental techniques to the test facility. This will provide measurements of the time delay distributions with improved statistics and additional experimental information about the processes that occur during electrical breakdown.
This work developed the capability for pre-compressing targets for Hugoniot measurements utilizing gas gun driven flyer plates. Initial condition control, such as pre-compression, allows access to states off the principal Hugoniot and in the case of highly compressible materials, the locus of shock states may be well off (significantly denser than) the principal Hugoniot even for relatively modest (~100's MPa) initial pressures. The design and operation of the pre-compression target hardware will be discussed in relation to functionality and design considerations for dynamic testing. Capability for loading of super critical gases and gas mixtures has been successfully demonstrated and dynamic hypervelocity impacts of helium were tested. Example loading of supercritical alcohol (ethanol) will is presented in the context of previous impact studies of initially ambient quiescent liquid. Advantages and limitations of the system are discussed in the context accessing highly compressed states.
Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation (Sandia), a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-AC04-94AL85000. This Annual Site Environmental Report summarizes data and the compliance status of Sandia’s sustainability, environmental protection, and monitoring programs at Sandia National Laboratories, New Mexico, during calendar year 2014. Major environmental programs include air quality, water quality, groundwater protection, terrestrial surveillance, waste management, pollution prevention, environmental restoration, oil and chemical spill prevention, and implementation of the National Environmental Policy Act. Environmental monitoring and surveillance programs are required by DOE O 231.1B, Change 1, Environment, Safety, and Health Reporting.
Sandia National Laboratories (SNL) is a multiprogram laboratory managed and operated by Sandia Corporation (Sandia), a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy’s National Nuclear Security Administration (DOE/NNSA) under contract DE-AC04-94AL85000. The DOE/NNSA Sandia Field Office administers the contract and oversees contractor operations at the SNL, Tonopah Test Range (SNL/TTR) in Nevada and the SNL, Kauai Test Facility (SNL/KTF) in Hawaii. Sandia manages and conducts operations at SNL/TTR in support of the DOE/NNSA’s Weapons Ordnance Program and has operated the site since 1957. Navarro Research and Engineering subcontracts with Sandia to administer most of the environmental programs at SNL/TTR. The DOE/NNSA/Nevada Field Office retains responsibility for cleanup and management of SNL/TTR Environmental Restoration sites. Sandia operates SNL/KTF as a rocket preparation launching and tracking facility. This Annual Site Environmental Report summarizes data and the compliance status of Sandia’s sustainability, environmental protection, and monitoring programs at SNL/TTR and SNL/KTF during calendar year 2014. Major environmental programs include air quality, water quality, groundwater protection, terrestrial surveillance, waste management, pollution prevention, environmental restoration cleanup activities, and implementation of the National Environmental Policy Act. Sandia is responsible only for those environmental program activities related to its operations. Environmental monitoring and surveillance programs are required by DOE O 231.1B, Change 1, Environment, Safety, and Health Reporting.
Superconducting qubits have made great strides in coherence time, gating, and algorithms. However, to achieve real scalability, more is required. We propose to study the problem of coupling and decoupling a transmon, a popular type of superconducting qubit, from its host resonator, which serves the dual role of a bus connecting qubits together and a readout channel. The transmon couples to its host resonator via its electric-dipole moment. We plan to use a trick of quantum mechanics to null the dipole moment and decouple the transmon. In doing so, we hope to study a variety of physics associated with multi-qubit operation, control, and readout.
This report describes the extension of a performance screening study of elastomers for geothermal well applications. Elastomeric O-rings were subjected to compression while submerged in water at elevated temperatures and pressure to determine performance under more aggressive conditions. Following the experiment, the elastic moduli of the O-ring cross-sections were assessed for any changes which may affect O-ring function down-hole. All materials showed susceptibility to thermo-oxidative degradation at high temperatures and pressures. Type I FKM had the least amount of compression set of all materials tested at 150ºC while Kalrez FFKM O-rings had the least amount of edge hardening of all materials, regardless of aging temperature. Prior visual observation of materials aged in simulated environments revealed an unusual trend with EPDM and FEPM materials: the degradation and disintegration of these polymers in an oxidative thermal cycle environment, but the ability to maintain mechanical performance and shape during oxidative thermal cycling in the presence of steam. EPDM and FEPM were subjected to additional testing at SNL in order to better understand this aging anomaly. No abnormalities were observed in the chemical (oxidation rates, FTIR spectra, solvent uptake, gel content, and weight loss vs. temperature) or physical (modulus profiles) measurements that could explain the visually observed aging differences. SNL validated this observation through a secondary controlled aging test using only EPDM, where, once again, it was shown that thermo-oxidative conditions appear to cause more degradative damage (enhanced embrittlement) than did thermo-oxidative coupled with hydrolytic environments. From these data we conclude that water may favorably interfere with normal thermo-oxidative degradation processes via some type of inhibition pathway which has yet to be identified.
Integrated intelligence is a product wrapped in a service. As the intelligence needs of fighters and diplomats change rapidly and unpredictably, the service has to keep listening to feedback while changing the product. New thought and new behavior—innovation—is needed. Yet the ability to change is not free or cheap, and it rides on top of the ability to be the same
Janarthanan, Rajeswari; Serov, Alexey; Pilli, Satyananda K.; Gamarra, Daniel A.; Atanassov, Plamen; Hibbs, Michael; Herring, Andrew M.
The objective of the current report is to compare the performance of poly(phenylene) based anion exchange membranes in an alkaline direct methanol fuel cell when platinum cathode catalysts are replaced with non-platinum cathode catalysts. In a KOH-free methanol fuel, we show that a less expensive non-Pt cathode catalyst (derived from Fe-Aminoantipyrine, Fe-AAPyr using Generations 1 and 2 sacrificial silica supports) provide better or comparable performance to commercial Pt cathode catalysts. The peak power density, current density and open circuit voltage of Fe-AAPyr-G-1 in 1 M methanol at 80°C are 2.78 mW cm-2, 19.1 mA cm-2 and 0.7 V respectively. In a direct methanol fuel cell utilizing KOH in the fuel feed, the non-Pt catalyst shows promising peak power density of 52 mW cm-2 with the Fe-AAPyr-G-2 cathode catalyst, comparable to a commercial Pt catalyst.
The Advanced Technology Development and Mitigation (ATDM) program at Sandia National Laboratories is a new effort to build next-generation simulation codes that will map well to upcoming exascale computing platforms. Rather than follow traditional single- program, multiple data (SPMD) programming techniques, ATDM is developing applications in an asynchronous many task (AMT) form that describes work as a graph of tasks that have data dependencies. The data management team is focused on developing a data warehouse for ATDM that will enable tasks to store and exchange data objects efficiently. This report summarizes the data management teams efforts during FY15, and documents: (1) an initial API and implementation for the data warehouses key/value store, (2) API requirements for use with ATDMs runtime, (3) initial requirements for storing ATDM-specific data, and (4) the current organization of software components that will be used by the data warehouse.
The Energy Surety Design Methodology (ESDM) provides a systematic approach for engineers and researchers to create a preliminary electric grid design, thus establishing a means to preserve and quickly restore customer-specified critical loads. Over a decade ago, Sandia National Laboratories (Sandia) defined Energy Surety for applications with energy systems to include elements of reliability, security, safety, cost, and environmental impact. Since then, Sandia has employed design concepts of energy surety for over 20 military installations and their interaction with utility systems, including the Smart Power Infrastructure Demonstration for Energy Reliability and Security (SPIDERS) Joint Capability Technology Demonstration (JCTD) project. In recent years, resilience has also been added as a key element of energy surety. This methodology document includes both process recommendations and technical guidance, with references to useful tools and analytic approaches at each step of the process.
The thermal properties of halite have broad practical importance, from design and long-term modeling of nuclear waste repositories to analysis and performance assessment of underground natural gas, petroleum and air storage facilities. Using a computer-controlled transient plane source method, single-crystal halite thermal conductivity, thermal diffusivity and specific heat were measured from -75°C to 300°C. These measurements reproduce historical high-temperature experiments and extend the lower temperature extreme into cryogenic conditions. Measurements were taken in 25-degree increments from -75°C to 300°C. Over this temperature range, thermal conductivity decreases by a factor of 3.7, from 9.975 to 2.699 W/mK , and thermal diffusivity decreases by a factor of 3.6, from 5.032 to 1.396 mm²/s. Specific heat does not appear to be temperature dependent, remaining near 2.0 MJ/m³K at all temperatures. This work is intended to develop and expand the existing dataset of halite thermal properties, which are of particular value in defining the parameters of salt storage thermophysical models. The work was motivated by a need for thermal conductivity values in a mixture theory model used to determine bulk thermal conductivity of reconsolidating crushed salt.
The ITER blanket system provides shielding of the plasma controlling field coils and vacuum vessel from the plasma heat flux as well as nuclear heating from the plasma. In addition to the thermal requirements the blanket module attachment scheme must withstand the electromagnetic forces that occur during possible plasma disruption events. During a plasma disruption event eddy currents are induced in the blanket module (first wall and shield block) and interact with the large magnetic fields to produce forces which could potentially cause mechanical failure. For this reason the design and qualification of the ITER blanket system requires appropriate high-fidelity electromagnetic simulations that capture the physics of these disruption scenarios. The key features of the analysis procedure will be described including the modeling of the geometry of the blanket modules and the plasma current during disruption. The electromagnetic calculations are performed using the Opera-3d software. This software solves the transient 3D finite element problem from which the eddy currents are calculated. The electromagnetic loads due to these eddy currents are then calculated and translated to the local coordinate system of the blanket module of interest.
Many chemicals that are commonly used in laboratories and industries can be harmful if not handled properly. Chemical safety best practices are designed to protect people from accidentally being exposed to hazardous chemicals. On the other hand, chemical security best practices are designed to protect people from someone deliberately exposing others to hazardous chemicals. Many chemical safety best practices overlap with chemical security best practices, but there are important differences, as will be discussed in this article.
Conventional Kolsky tension bar techniques were modified to characterize an iridium alloy in tension at elevated strain rates and temperatures. The specimen was heated to elevated temperatures with an induction coil heater before dynamic loading; whereas, a cooling system was applied to keep the bars at room temperature during heating. A preload system was developed to generate a small pretension load in the bar system during heating in order to compensate for the effect of thermal expansion generated in the high-temperature tensile specimen. A laser system was applied to directly measure the displacements at both ends of the tensile specimen in order to calculate the strain in the specimen. A pair of high-sensitivity semiconductor strain gages was used to measure the weak transmitted force due to the low flow stress in the thin specimen at elevated temperatures. The dynamic high-temperature tensile stress–strain curves of a DOP-26 iridium alloy were experimentally obtained at two different strain rates (~1000 and 3000 s−1) and temperatures (~750 and 1030 °C). The effects of strain rate and temperature on the tensile stress–strain response of the iridium alloy were determined. The iridium alloy exhibited high ductility in stress–strain response that strongly depended on strain-rate and temperature.
We report on experiments with a microfabricated surface trap designed for confining a chain of ions in a ring. Uniform ion separation over most of the ring is achieved with a rotationally symmetric design and by measuring and suppressing undesired electric fields. After reducing stray fields, the ions are confined primarily by a radio-frequency pseudopotential and their mutual Coulomb repulsion. Approximately 400 Ca40+ ions with an average separation of 9 μm comprise the ion crystal.
The prototype laboratory concept was developed to simplify the laboratory design process, and should be considered for use as a new laboratory design methodology. Many developing countries lack adequate public and animal health laboratories and typically do not have the economic means and the design and construction expertise to build a laboratory on their own. These countries rely on international sponsors to provide the funds necessary to design and construct a laboratory. However, these international sponsors are often located far away, making travel back and forth difficult, which leads to an increase in overall costs and delays for the project. The prototype laboratory concept and design methodology were developed to streamline the design process, saving time and money, while also minimizing the number of errors that typically arise using a traditional design process by providing well considered design decisions in advance of the project. By solving numerous detailed design issues early, this methodology will allow the time, attention and energies of the design team to be focused on addressing the specific needs of the end users, the unique design challenges related to a given site and scientific program, and the biosafety and biosecurity risks associated with the scientific activities planned to be conducted in the facility. While the concept could be expanded to cover other types of laboratories to date, it has primarily focused on supporting the implementation of good laboratory design best practices for infectious disease diagnostic and research laboratories for both the human and animal health sectors. This report presents the laboratory design concept and details associated with the modular layouts. It builds on the work previously provided in the interim prototype laboratory concept report delivered to the Cooperative Biological Engagement Program (CBEP) at the Defense Threat Reduction Agency (DTRA) in 2014. This report includes a number of revised and additional module layouts, more detailed information regarding laboratory finishes and equipment, engineering service information, electrical and lighting layouts, plumbing service information and two mechanical service options for each prototype module. Additionally, this report also includes a description of a cost estimating tool that will accompany this report and allow funding agencies to generate an approximate cost for the construction of a laboratory that utilizes the prototype laboratory concept modules. This report is intended to serve a complete document and includes all relevant information from the 2014 prototype laboratory concept report.
Sandia has approached the analysis of big datasets with an integrated methodology that uses computer science, image processing, and human factors to exploit critical patterns and relationships in large datasets despite the variety and rapidity of information. The work is part of a three-year LDRD Grand Challenge called PANTHER (Pattern ANalytics To support High-performance Exploitation and Reasoning). To maximize data analysis capability, Sandia pursued scientific advances across three key technical domains: (1) geospatial-temporal feature extraction via image segmentation and classification; (2) geospatial-temporal analysis capabilities tailored to identify and process new signatures more efficiently; and (3) domain- relevant models of human perception and cognition informing the design of analytic systems. Our integrated results include advances in geographical information systems (GIS) in which we discover activity patterns in noisy, spatial-temporal datasets using geospatial-temporal semantic graphs. We employed computational geometry and machine learning to allow us to extract and predict spatial-temporal patterns and outliers from large aircraft and maritime trajectory datasets. We automatically extracted static and ephemeral features from real, noisy synthetic aperture radar imagery for ingestion into a geospatial-temporal semantic graph. We worked with analysts and investigated analytic workflows to (1) determine how experiential knowledge evolves and is deployed in high-demand, high-throughput visual search workflows, and (2) better understand visual search performance and attention. Through PANTHER, Sandia's fundamental rethinking of key aspects of geospatial data analysis permits the extraction of much richer information from large amounts of data. The project results enable analysts to examine mountains of historical and current data that would otherwise go untouched, while also gaining meaningful, measurable, and defensible insights into overlooked relationships and patterns. The capability is directly relevant to the nation's nonproliferation remote-sensing activities and has broad national security applications for military and intelligence- gathering organizations.
For next-generation engines that operate using low-temperature gasoline combustion (LTGC) modes, a major issue remains poor combustion stability at low-loads. Negative valve overlap (NVO) enables enhanced main combustion control through modified valve timings to retain combustion residuals along with a small fuel injection that partially reacts during the recompression. While the thermal effects of NVO fueling on main combustion are well understood, the chemical effects of NVO reactions are less certain, especially oxygen-deficient reactions where fuel pyrolysis dominates. To better understand NVO period chemistry details, comprehensive speciation of engine samples collected at the end of the NVO cycle was performed by photoionization mass spectroscopy (PIMS) using synchrotron generated vacuum-ultraviolet light. Two operating conditions were explored: 1) a fuel lean condition with a short NVO fuel injection and a relatively high amount of excess oxygen in the NVO cycle (7%), and 2) a fuel-rich condition with a longer NVO fuel injection and low amount of NVO-cycle excess oxygen (4%). Samples were collected by a custom dump-valve apparatus from a direct injection, single-cylinder, automotive research engine operating under low-load LTGC and fueled by either isooctane or an 88-octane research certification gasoline. Samples were stored in heated stainless steel cylinders and transported to the Lawrence Berkeley National Laboratory Advanced Light Source for analysis using a Sandia National Laboratories flame sampling apparatus. For all isooctane fueled conditions, NVO cycle sample speciation from the PIMS measurements agreed well with previously reported GC sample measurements if the sum total of all isomer constituents from the PIMS measurements were considered. PIMS data, however, provides richer speciation information that is useful for validation of computational modeling approaches. The PIMS data also revealed that certain species for the GC diagnostic were either misidentified during the calibration process or not identified at all. Examples of unidentified species include several classes of oxygenates (e.g., ketenes, aldehydes, and simple alcohols) and simple aromatics (e.g., benzene and toluene). For the gasoline fueled NVO cycles, performance characteristics were well matched to corresponding isooctane fueled NVO cycles. However, significant PIMS cross-talk from a wide range of gasoline components restricted the sampling analysis to a handful of species. Nonetheless, it was confirmed that for fuel-lean NVO operation there was a comparable increase in acetylene with NVO injection timing retard that is attributed to the prevalence of locally-rich, piston-surface pool fires caused by fuel spray impingement.
A study of n-dodecane atomization, following the prescribed unseating of the needle tip, is presented for a high-pressure, non-cavitating Bosch Diesel injector ("Spray A", in the Engine Combustion Network denomination). In the two simulations discussed here, the internal and external multiphase flows are seamlessly calculated across the injection orifice using an interface-capturing approach (for the liquid fuel surface) together with an embedded boundary formulation (for the injector's walls). This setting makes it possible to directly relate the liquid jet spray characteristics (under the assumption of sub-critical flow and with a grid resolution of 3 μm, or 1/30 of the orifice diameter) to the moving internal geometry of the injector. Another novelty is the capability of modeling the compressibility of the liquid and the gas phase while maintaining a sharp interface between the two. With an equation of state calibrated for n-dodecane, we briefly examine the difference in exit jet characteristics for adiabatic and isothermal wall conditions.
The reaction of small hydrocarbon radicals (i.e. CN, C2H) with trace alkenes and alkynes is believed to play an important role in molecular weight growth and ultimately the formation of Titan's characteristic haze. Current photochemical models of Titan's atmosphere largely assume hydrogen atom abstraction or unimolecular hydrogen elimination reactions dominate the mechanism, in contrast to recent experiments that reveal significant alkyl radical loss pathways during reaction of ethynyl radical (C2H) with alkenes and alkynes. In this study, the trend is explored for the case of a larger ethynyl radical analogue, the 1-propynyl radical (H3CCC), a likely product from the high-energy photolysis of propyne in Titan's atmosphere. Using synchrotron vacuum ultraviolet photoionization mass spectrometry, product branching ratios are measured for the reactions of 1-propynyl radical with a suite of small alkenes (ethylene and propene) and alkynes (acetylene and d4-propyne) at 4 Torr and 300 K. Reactions of 1-propynyl radical with acetylene and ethylene form single products, identified as penta-1,3-diyne and pent-1-en-3-yne, respectively. These products form by hydrogen atom loss from the radical-adduct intermediates. The reactions of 1-propynyl radical with d4-propyne and propene form products from both hydrogen atom and methyl loss, (-H = 27%, -CH3 = 73%) and (-H = 14%, -CH3 = 86%), respectively. Together, these results indicate that reactions of ethynyl radical analogues with alkenes and alkynes form significant quantities of products by alkyl loss channels, suggesting that current photochemical models of Titan over predict both hydrogen atom production as well as the efficiency of molecular weight growth in these reactions.
This report was prepared to provide an explanation of the prescriptive-based code approach for the Neutron Generator Production Facility’s (NGPF) structural fire protection and construction classification determinations based upon the original code-of-record (1991-UBC) and current International Building Code (2012-IBC) requirements. The code approach presented in this report included a determination of the required construction type in accordance with the 2012-IBC. Through the evaluation of the record design drawings and subsequent site surveys, a determination was made of the existing types of materials used to construct the columns, beams, floor assemblies, roof assembly, and exterior and interior walls and partitions. A summary is provided for the fire resistance requirements of the different elements of the building. In addition, a determination was made in regards to the fire resistance hourly ratings of the columns, beams, floor assemblies, roof assembly, exterior walls, interiors walls and partitions, door openings, joints and penetrations. Through design evaluation, site survey, code verification, and review of record documents, the actual construction classification (Type II-B) was confirmed to be compliant with the 2012-IBC.
Radial wire array z pinches, where wires are positioned radially outward from a central cathode to a concentric anode, can act as a compact bright x-ray source that could potentially be used to drive a hohlraum. Experiments were performed on the 7-MA Saturn generator using radial wire arrays. These experiments studied a number of potential risks in scaling radial wire arrays up from the 1-MA level, where they have been shown to be a promising compact X-ray source. Data indicates that at 7 MA, radial wire arrays can radiate ~9 TW with 10-ns full-width at half-maximum from a compact pinch.
Zavadil, Kevin R.; Hahn, Nathan T.; Wetzel, David J.; Malone, Marvin A.; Haasch, Richard T.; Meng, Yifei; Vieker, Henning; Golzhauser, Armin; Zuo, Jian M.; Gewirth, Andrew A.; Nuzzo, Ralph G.
Although rechargeable magnesium (Mg) batteries show promise for use as a next generation technology for high-density energy storage, little is known about the Mg anode solid electrolyte interphase and its implications for the performance and durability of a Mg-based battery. We explore in this report passivation effects engendered during the electrochemical cycling of a bulk Mg anode, characterizing their influences during metal deposition and dissolution in a simple, nonaqueous, Grignard electrolyte solution (ethylmagnesium bromide, EtMgBr, in tetrahydrofuran). Scanning electron microscopy images of Mg foil working electrodes after electrochemical polarization to dissolution potentials show the formation of corrosion pits. The pit densities so evidenced are markedly potential-dependent. When the Mg working electrode is cycled both potentiostatically and galvanostatically in EtMgBr these pits, formed due to passive layer breakdown, act as the foci for subsequent electrochemical activity. Detailed microscopy, diffraction, and spectroscopic data show that further passivation and corrosion results in the anisotropic stripping of the Mg {0001} plane, leaving thin oxide-comprising passivated side wall structures that demark the {0001} fiber texture of the etched Mg grains. Upon long-term cycling, oxide side walls formed due to the pronounced crystallographic anisotropy of the anodic stripping processes, leading to complex overlay anisotropic, columnar structures, exceeding 50 μm in height. The passive responses mediating the growth of these structures appear to be an intrinsic feature of the electrochemical growth and dissolution of Mg using this electrolyte. (Figure Presented).
The Center for Strategic and International Studies estimates the annual cost from cyber crime to be more than $400 billion. Most notable is the recent digital identity thefts that compromised millions of accounts. These attacks emphasize the security problems of using clonable static information. One possible solution is the use of a physical device known as a Physically Unclonable Function (PUF). PUFs can be used to create encryption keys, generate random numbers, or authenticate devices. While the concept shows promise, current PUF implementations are inherently problematic: inconsistent behavior, expensive, susceptible to modeling attacks, and permanent. Therefore, we propose a new solution by which an unclonable, dynamic digital identity is created between two communication endpoints such as mobile devices. This Physically Unclonable Digital ID (PUDID) is created by injecting a data scrambling PUF device at the data origin point that corresponds to a unique and matching descrambler/hardware authentication at the receiving end. This device is designed using macroscopic, intentional anomalies, making them inexpensive to produce. PUDID is resistant to cryptanalysis due to the separation of the challenge response pair and a series of hash functions. PUDID is also unique in that by combining the PUF device identity with a dynamic human identity, we can create true two-factor authentication. We also propose an alternative solution that eliminates the need for a PUF mechanism altogether by combining tamper resistant capabilities with a series of hash functions. This tamper resistant device, referred to as a Quasi-PUDID (Q-PUDID), modifies input data, using a black-box mechanism, in an unpredictable way. By mimicking PUF attributes, Q-PUDID is able to avoid traditional PUF challenges thereby providing high-performing physical identity assurance with or without a low performing PUF mechanism. Three different application scenarios with mobile devices for PUDID and Q-PUDID have been analyzed to show their unique advantages over traditional PUFs and outline the potential for placement in a host of applications.
Quantum simulations promise to be one of the primary applications of quantum computers, should one be constructed. This article briefly summarizes the history of quantum simulation in light of the recent result of Wang and co-workers, demonstrating calculation of the ground and excited states for a HeH+ molecule, and concludes with a discussion of why this and other recent progress in the field suggest that quantum simulations of quantum chemistry have a bright future. (Figure Presented).
The following summaries are provided as fulfillment of milestone M4FT-15SN0811021 and represent international collaboration activities in disposal research funded by the US DOE Used Fuel Disposition (UFD) Campaign during Fiscal Year 2015.
The following summaries are provided as fulfillment of milestone M4FT-15SN0811021 and represent international collaboration activities in disposal research funded by the US DOE Used Fuel Disposition (UFD) Campaign during Fiscal Year 2015.
Active participation in international R&D is crucial for achieving the UFD long-term goals of conducting “experiments to fill data needs and confirm advanced modeling approaches” (by 2015) and of having a “robust modeling and experimental basis for evaluation of multiple disposal system options” (by 2020). DOE’s Office of Nuclear Energy (NE) and its Office of Used Fuel Disposition Research and Development (UFD) have developed a strategic plan to advance cooperation with international partners. The international collaboration on the evaluation of crystalline disposal media at Sandia National Laboratories (SNL) in FY15 was focused on the following three activities: (1) thermal-hydrologic-mechanical-chemical modeling single fracture evolution; (2) simulations of flow and transport in Bedrichov Tunnel, Czech Republic, and (3) streaming potential testing at Korean Atomic Energy Research Institute (KAERI) Underground Research Tunnel (KURT). The first two activities are part of the Development of Coupled Models and their Validation against Experiments (DECOVALEX) project.
Temperature and density asymmetry diagnosis is critical to advance inertial confinement fusion (ICF) science. A multimonochromatic x-ray imager, MMI, records the spectral signature from an ICF implosion core with time resolution, 2D spatial resolution and spectral resolution. While narrow-band images and 2D space-resolved spectra from the MMI data constrain the temperature and the density spatial structure of the core, the accuracy of the images and the spectra highly depends on the quality of the MMI data and the processing tools. Here, we synthetically investigate the criterion for reliable MMI diagnostics and its effects on the accuracy of the reconstructed images. The pinhole array tilt determines the object spatial sampling efficiency and the minimum reconstruction width, $\textit{w}$. When the spectral width associated with $\textit{w}$ is significantly narrower than the spectral linewidth, the line images reconstructed from the MMI data become reliable. The MMI setup has to be optimized for every application to meet this criterion for reliable ICF diagnostics.
The degradation in the strength of napkin-ring (NR) joints bonded with an epoxy thermoset is evaluated in a humid environment. While adherend composition (stainless steel and aluminum) and surface preparation (polished, grit blasted, primed, coupling agent coated) do not affect virgin (time=0) joint strength, they can significantly affect the role of moisture on the strength of the joint. Adherend surface abrasion and corrosion processes are found to be key factors in determining the reliability of joint strength in humid environments. In cases where surface specific joint strength degradation processes are not active, decreases in joint strength can be accounted for by the glass transition temperature, Tg, depression of the adhesive associated with water sorption. Under these conditions, joint strength can be rejuvenated to virgin strength by drying. In addition, the decrease in joint strength associated with water sorption can be predicted by the Simplified Potential Energy Clock (SPEC) model by shifting the adhesive reference temperature, Tref, by the same amount as the Tg depression. When surface specific degradation mechanisms are active, they can reduce joint strength below that associated with adhesive Tg depression, and joint strength is not recoverable by drying. A critical relative humidity (or, potentially, critical water sorption concentration), below which the surface specific degradation does not occur, appears to exist for the polished stainless steel joints.
Since the introduction of nuclear weapons, there has not been a single instance of accidental or unauthorized nuclear detonation, but there have been numerous accidents and “close calls.” As the understanding of these environments has increased, the need for a robust nuclear weapon safety philosophy has grown. This paper describes some of the methods used by the Nuclear Weapon Complex today to assure nuclear weapon safety, including testing, modeling, analysis, and design features. Lastly, it also reviews safety’s continued role in the future and examines how nuclear safety’s present maturity can play a role in strengthening security and other areas and how increased coordination can improve safety and reduce long-term cost.
Sandia National Laboratories has recently purchased a Polytec 3D Scanning Laser Doppler Vibrometer for vibration measurement. This device has proven to be a very nice tool for making vibration measurements, and has a number of advantages over traditional sensors such as accelerometers. The non-contact nature of the laser vibrometer means there is no mass loading due to measuring the response. Additionally, the laser scanning heads can position the laser spot much more quickly and accurately than placing an accelerometer or performing a roving hammer impact. The disadvantage of the system is that a significant amount of time must be invested to align the lasers with each other and the part so that the laser spots can be accurately positioned. The Polytec software includes a number of nice tools to aid in this procedure; however, certain portions are still tedious. Luckily, the Polytec software is readily extensible by programming macros for the system, so tedious portions of the procedure can be made easier by automating the process. The Polytec Software includes a WinWrap (similar to Visual Basic) editor and interface to run macros written in that programming language. The author, however, is much more proficient in Python, and the latter also has a much larger set of libraries that can be used to create very complex macros, while taking advantage of Python’s inherent readability and maintainability.
This milestone is focused on developing a plan for the analysis of the effluent from the Sandia low temperature sintering Bi-Si-Zn oxide glass composite material (GCM) waste form for the long term storage of iodine and its capture materials.
This program at Sandia is focused on Iodine waste form development for Fuel Cycle R&D needs. Our research has a general theme of “Capture and Storage of Iodine Fission Gas “ in which we are focused on silver loaded zeolite waste forms, evaluation of iodine loaded getter materials (eg., mordenite zeolite), and the development of low temperature glass waste forms that successfully incorporate iodine loaded getter materials from I2, organic iodide, etc. containing off-gas streams.
Alkaline flocculation holds great potential as a low-cost harvesting method for marine microalgae biomass production. Alkaline flocculation is induced by an increase in pH and is related to precipitation of calcium and magnesium salts. In this study, we used the diatom Phaeodactylum tricornutum as model organism to study alkaline flocculation of marine microalgae cultured in seawater medium. Flocculation started when pH was increased to 10 and flocculation efficiency reached 90% when pH was 10.5, which was consistent with precipitation modeling for brucite or Mg(OH)2. Compared to freshwater species, more magnesium is needed to achieve flocculation (>7.5 mM). Zeta potential measurements suggest that brucite precipitation caused flocculation by charge neutralization. When calcium concentration was 12.5 mM, flocculation was also observed at a pH of 10. Furthermore, zeta potential remained negative up to pH 11.5, suggesting that precipitated calcite caused flocculation by a sweeping coagulation mechanism.
The objective of the Crystalline Disposal R&D Work Package is to advance our understanding of long-term disposal of used fuel in crystalline rocks and to develop necessary experimental and computational capabilities to evaluate various disposal concepts in such media. Chapter headings are as follows: Fuel matrix degradation model and its integration with performance assessments, Investigation of thermal effects on the chemical behavior of clays, Investigation of uranium diffusion and retardation in bentonite, Long-term diffusion of U(VI) in bentonite: dependence on density, Sorption and desorption of plutonium by bentonite, Dissolution of plutonium intrinsic colloids in the presence of clay and as a function of temperature, Laboratory investigation of colloid-facilitated transport of cesium by bentonite colloids in a crystalline rock system, Development and demonstration of discrete fracture network model, Fracture continuum model and its comparison with discrete fracture network model.
Using random walk simulations we explore diffusive transport through monodisperse sphere packings over a range of packing fractions φ in the vicinity of the jamming transition at φc. Various diffusion properties are computed over several orders of magnitude in both time and packing pressure. Two well-separated regimes of normal "Fickian" diffusion, where the mean squared displacement is linear in time, are observed. The first corresponds to diffusion inside individual spheres, while the latter is the long-time bulk diffusion. The intermediate anomalous diffusion regime and the long-time value of the diffusion coefficient are both shown to be controlled by particle contacts, which in turn depend on proximity to φc. The time required to recover normal diffusion t∗ scales as (φ - φc)-0.5 and the long-time diffusivity D∞ ∼ (φ - φc)0.5, or D∞ ∼ 1/t∗. It is shown that the distribution of mean first passage times associated with the escape of random walkers between neighboring particles controls both t∗ and D∞ in the limit φ → φc.
In this paper, we present a strategy for producing multiqubit gates that promise high fidelity with minimal tuning requirements. Our strategy combines gap protection from the adiabatic theorem with dynamical decoupling in a complementary manner. Energy-level transition errors are protected by adiabaticity and remaining phase errors are mitigated via dynamical decoupling. This is a powerful way to divide and conquer the various error channels. In order to accomplish this without violating a no-go theorem regarding black-box dynamically corrected gates [Phys. Rev. A 80, 032314 (2009)], we require a robust operating point (sweet spot) in control space where the qubits interact with little sensitivity to noise. There are also energy gap requirements for effective adiabaticity. We apply our strategy to an architecture in Si with P donors where we assume we can shuttle electrons between different donors. Electron spins act as mobile ancillary qubits and P nuclear spins act as long-lived data qubits. Furthermore, this system can have a very robust operating point where the electron spin is bound to a donor in the quadratic Stark shift regime. High fidelity single qubit gates may be performed using well-established global magnetic resonance pulse sequences. Single electron-spin preparation and measurement has also been demonstrated. Thus, putting this all together, we present a robust universal gate set for quantum computation.
Velocity Interferometer System for Any Reflector (VISAR) [Barker and Hollenbach, J. Appl. Phys. 43, 4669 (1972)] is a well-known diagnostic that is employed on many shock physics and pulsed-power experiments. With the VISAR diagnostic, the velocity on the surface of any metal flyer can be found. For most experiments employing VISAR, either a kinetic pressure [Grady, Mech. Mater. 29, 181 (1998)] or a magnetic pressure [Lemke et al., Intl J. Impact Eng. 38, 480 (2011)] drives the motion of the flyer. Moreover, reliable prediction of the time-dependent pressure is often a critical component to understanding the physics of these experiments. Although VISAR can provide a precise measurement of a flyer’s surface velocity, the real challenge of this diagnostic implementation is using this velocity to unfold the time-dependent pressure. The purpose of this study is to elucidate a new method for quickly and reliably unfolding VISAR data.
Here, this paper introduces an algorithm that determines the thermodynamic conditions behind incident and reflectedshocksinaerosol-ladenflows.Importantly,the algorithm accounts for the effects of droplet evaporation on post-shock properties. Additionally, this article describes an algorithm for resolving the effects of multiple-component- fuel droplets. This article presents the solution methodology and compares the results to those of another similar shock calculator. It also provides examples to show the impact of droplets on post-shock properties and the impact that multi-component fuel droplets have on shock experimental parameters. Finally, this paper presents a detailed uncertainty analysis of this algorithm’s calculations given typical exper- imental uncertainties
Ionic clusters control the structure, dynamics, and transport in soft matter. Incorporating a small fraction of ionizable groups in polymers substantially reduces the mobility of the macromolecules in melts. These ionic groups often associate into random clusters in melts, where the distribution and morphology of the clusters impact the transport in these materials. Here, using molecular dynamic simulations we demonstrate a clear correlation between cluster size and morphology with the polymer mobility in melts of sulfonated polystyrene. We show that in low dielectric media ladderlike clusters that are lower in energy compared with spherical assemblies are formed. Reducing the electrostatic interactions by enhancing the dielectric constant leads to morphological transformation from ladderlike clusters to globular assemblies. Decrease in electrostatic interaction significantly enhances the mobility of the polymer.
This study encompasses initial scoping tests on the incorporation of a novel iodine loaded getter material into the Sandia developed low temperature sintering glass ceramic material (GCM) waste form. In particular, we studied the PNNL Ag-I-Aerogel. Optical microscopy indicates inhomogenous samples based on particle sizes and variations in color (AgI vs Ag/AgO on silica). TGA/MS data when heated in air indicates loss of iodine and organics (CO2) between 250-450°C a total of ~15wt% loss, with additional / small iodine loss when during 550°C hold for 1 hr. TGA/MS data when heated in N2 indicates less organic and slightly less iodine loss below 550°C, with no loss of iodine in 550°C 1 hour hold. Furthermore, a substantial mass loss of sulfur containing compounds is observed (m/e of 34 and 36) between 150 – 550°C in both air and N2 sintering atmospheres. In an effort to capture iodine lost to volatilization during heating (at temps below glass sintering temperature of 550°C), we added 5 wt% Ag flake to the AgIaerogel. Resulting data indicates the iodine is retained with the addition of the Ag flake, resulting in only a small iodine loss (< 1wt%) at ~350°C. No method of curtailing loss of sulfur containing compounds due to heating was successful in this scoping study.
We examine how deuterium becomes trapped in plasma-exposed tungsten and forms near-surface platelet-shaped precipitates. How these bubbles nucleate and grow, as well as the amount of deuterium trapped within, is crucial for interpreting the experimental database. Here, we use a combined experimental/theoretical approach to provide further insight into the underlying physics. With the Tritium Plasma Experiment, we exposed a series of ITER-gradetungsten samples to high flux D plasmas (up to 1.5 × 1022 m-2 s-1) at temperatures ranging between 103 and 554 °C. Retention of deuterium trapped in the bulk, assessed through thermal desorption spectrometry, reached a maximum at 230 °C and diminished rapidly thereafter for T > 300 °C. Post-mortem examination of the surfaces revealed non-uniform growth of bubbles ranging in diameter between 1 and 10 μm over the surface with a clear correlation with grain boundaries. Electron back-scattering diffraction maps over a large area of the surface confirmed this dependence; grains containing bubbles were aligned with a preferred slip vector along the <111> directions. Focused ion beam profiles suggest that these bubbles nucleated as platelets at depths of 200 nm–1 μm beneath the surface and grew as a result of expansion of sub-surface cracks. Furthermore, to estimate the amount of deuterium trapped in these defects relative to other sites within the material, we applied a continuum-scale treatment of hydrogen isotope precipitation. Additionally, we propose a straightforward model of near-surface platelet expansion that reproduces bubble sizes consistent with our measurements. For the tungsten microstructure considered here, we find that bubbles would only weakly affect migration of D into the material, perhaps explaining why deep trapping was observed in prior studies with plasma-exposed neutron-irradiated specimens. We foresee no insurmountable issues that would prevent the theoretical framework developed here from being extended to a broader range of systems where precipitation of insoluble gases in ion beam or plasma-exposed metals is of interest.
Direct numerical simulations of three-dimensional spatially-developing turbulent Bunsen flames were performed at three different turbulence intensities. The simulations were performed using a reduced methane-air chemical mechanism which was specifically tailored for the lean premixed conditions simulated here. A planar-jet turbulent Bunsen flame configuration was used in which turbulent preheated methane-air mixture at 0.7 equivalence ratio issued through a central jet and was surrounded by a hot laminar coflow of burned products. The turbulence characteristics at the jet inflow were selected such that combustion occured in the thin reaction zones (TRZ) regime. At the lowest turbulence intensity, the conditions fall on the boundary between the TRZ regime and the corrugated flamelet regime, and progressively moved further into the TRZ regime by increasing the turbulent intensity. The data from the three simulations was analyzed to understand the effect of turbulent stirring on the flame structure and thickness. Statistical analysis of the data showed that the thermal preheat layer of the flame was thickened due to the action of turbulence, but the reaction zone was not significantly affected. A global and local analysis of the burning velocity of the flame was performed to compare the different flames. Detailed statistical averages of the flame speed were also obtained to study the spatial dependence of displacement speed and its correlation to strain rate and curvature.
This memo describes rough-order-of-magnitude (ROM) cost estimates for a set of off-normal (accident) scenarios, as defined for two waste package emplacement method options for deep borehole disposal: drill-string and wireline. It summarizes the different scenarios and the assumptions made for each, with respect to fishing, decontamination, remediation, etc.
Abstract This paper describes the development of thermal models for the filling of high pressure hydrogen tanks with experimental validation. Two models are presented; the first uses a one-dimensional, transient, network flow analysis code developed at Sandia National Labs, and the second uses the commercially available CFD analysis tool Fluent. These models were developed to help assess the safety of Type IV high pressure hydrogen tanks during the filling process. The primary concern for these tanks is due to the increased susceptibility to fatigue failure of the liner caused by the fill process. Therefore, a thorough understanding of temperature changes of the hydrogen gas and the heat transfer to the tank walls is essential. The effects of initial pressure, filling time, and fill procedure were investigated to quantify the temperature change and verify the accuracy of the models. In this paper we show that the predictions of mass averaged gas temperature for the one and three-dimensional models compare well with the experiment and both can be used to make predictions for final mass delivery. Due to buoyancy and other three-dimensional effects, however, the maximum wall temperature cannot be predicted using one-dimensional tools alone which means that a three-dimensional analysis is required for a safety assessment of the system.
Cole, William T.S.; Lee, Alan W.M.; Kao, Tsung Y.; Hu, Qing; Reno, John L.; Saykally, Richard J.; Hlavacek, Nik C.
The first application of a commercial Terahertz quantum cascade laser (QCL) system for high resolution spectroscopy of supersonic beams is presented. Here, the QCLs exhibited continuous linear voltage tuning over a 2 GHz range about a center frequency of 3.762 THz with ~1 ppm resolution. A sensitivity of ~1 ppm fractional absorption was measured with a single pass optical system. Multipass operation at the quantum noise limit of the stressed photoconductor detector would produce a 100-fold improvement.
The Richtmyer-Meshkov instability (RMI) is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Due to the inherent statistical noise and the significant computational requirements, DSMC is hardly ever applied to hydrodynamic flows. Here, DSMC RMI simulations are performed to quantify the shock-driven growth of a single-mode perturbation on the interface between two atmospheric-pressure monatomic gases prior to re-shocking as a function of the Atwood and Mach numbers. The DSMC results qualitatively reproduce all features of the RMI and are in reasonable quantitative agreement with existing theoretical and empirical models. The DSMC simulations indicate that there is a universal behavior, consistent with previous work in this field that RMI growth follows.
This article documents an exploratory study for collecting and using human performance data to inform human error probability (HEP) estimates for a new human reliability analysis (HRA) method, the IntegrateD Human Event Analysis System (IDHEAS). The method was based on cognitive models and mechanisms underlying human behaviour and employs a framework of 14 crew failure modes (CFMs) to represent human failures typical for human performance in nuclear power plant (NPP) internal, at-power events [1]. A decision tree (DT) was constructed for each CFM to assess the probability of the CFM occurring in different contexts. Data needs for IDHEAS quantification are discussed. Then, the data collection framework and process is described and how the collected data were used to inform HEP estimation is illustrated with two examples. Next, five major technical challenges are identified for leveraging human performance data for IDHEAS quantification. These challenges reflect the data needs specific to IDHEAS. More importantly, they also represent the general issues with current human performance data and can provide insight for a path forward to support HRA data collection, use, and exchange for HRA method development, implementation, and validation.
Nanoindentation is useful for evaluating the mechanical properties, such as elastic modulus, of multilayer thin film materials. A fundamental assumption in the derivation of the elastic modulus from nanoindentation is that the unloading process is purely elastic. In this work, the validity of elastic assumption as it applies to multilayer thin films is studied using the finite element method. The elastic modulus and hardness from the model system are compared to experimental results to show validity of the model. Plastic strain is shown to increase in the multilayer system during the unloading process. The indentation-derived modulus of a monolayer material shows no dependence on unloading plasticity while the modulus of the multilayer system is dependent on unloading-induced plasticity. Lastly, the cyclic behavior of the multilayer thin film is studied in relation to the influence of unloading-induced plasticity. It is found that several cycles are required to minimize unloading-induced plasticity.
In this study, nonaqueous redox flow batteries (RFB) leverage nonaqueous solvents to enable higher operating voltages compared to their aqueous counterparts. Most commercial components for flow batteries, however, are designed for aqueous use. One critical component, the ion-selective membrane, provides ionic conductance between electrodes while preventing crossover of electroactive species. Here we evaluate the area-specific conductances and through-plane conductivities of commercially available microporous separators (Celgard 2400, 2500) and anion exchange membranes (Neosepta AFX, Neosepta AHA, Fumasep FAP-450, Fumasep FAP-PK) soaked in acetonitrile, propylene carbonate, or two imidazolium-based ionic liquids. Fumasep membranes combined with acetonitrile-based electrolyte solutions provided the highest conductance values and conductivities by far. When tested in ionic liquids, all anion exchange membranes displayed conductivities greater than those of the Celgard microporous separators, though the separators’ decreased thickness-enabled conductances on par with the most conductive anion exchange membranes. Ionic conductivity is not the only consideration when choosing an anion exchange membrane; testing of FAP-450 and FAP-PK membranes in a nonaqueous RFB demonstrated that the increased mechanical stability of PEEK-supported FAP-PK minimized swelling, in turn decreasing solvent mediated crossover and enabling greater electrochemical yields (40% vs. 4%) and Coulombic efficiencies (94% vs. 90%) compared to the unsupported, higher conductance FAP-450.
Abstract In this work, we develop an atomistically informed crystal plasticity finite element (CP-FE) model for body-centered-cubic (BCC) α-Fe that incorporates non-Schmid stress dependent slip with temperature and strain rate effects. Based on recent insights obtained from atomistic simulations, we propose a new constitutive model that combines a generalized non-Schmid yield law with aspects from a line tension (LT) model for describing activation enthalpy required for the motion of dislocation kinks. Atomistic calculations are conducted to quantify the non-Schmid effects while both experimental data and atomistic simulations are used to assess the temperature and strain rate effects. The parameterized constitutive equation is implemented into a BCC CP-FE model to simulate plastic deformation of single and polycrystalline Fe which is compared with experimental data from the literature. This direct comparison demonstrates that the atomistically informed model accurately captures the effects of crystal orientation, temperature and strain rate on the flow behavior of siangle crystal Fe. Furthermore, our proposed CP-FE model exhibits temperature and strain rate dependent flow and yield surfaces in polycrystalline Fe that deviate from conventional CP-FE models based on Schmid's law.
We experimentally demonstrate a functional silicon metadevice at telecom wavelengths that can efficiently control the wavefront of optical beams by imprinting a spatially varying transmittance phase independent of the polarization of the incident beam. Near-unity transmittance efficiency and close to 0-2 phase coverage are enabled by utilizing the localized electric and magnetic Mie-type resonances of low-loss silicon nanoparticles tailored to behave as electromagnetically dual-symmetric scatterers. We apply this concept to realize a metadevice that converts a Gaussian beam into a vortex beam. The required spatial distribution of transmittance phases is achieved by a variation of the lattice spacing as a single geometric control parameter.
Materials such as tin (Sn) and silicon that alloy with lithium (Li) have attracted renewed interest as anode materials in Li-ion batteries. Although their superior capacity to graphite and other intercalation materials has been known for decades, their mechanical instability due to extreme volume changes during cycling has traditionally limited their commercial viability. This limitation is changing as processes emerge that produce nanostructured electrodes. The nanostructures can accommodate the repeated expansion and contraction as Li is inserted and removed without failing mechanically. Recently, one such nano-manufacturing process, which is capable of depositing coatings of Sn “nanoneedles” at low temperature with no template and at industrial scales, has been described. The present work is concerned with observations of the lithiation and delithiation behavior of these Sn nanoneedles during in situ experiments in the transmission electron microscope, along with a brief review of how in situ TEM experiments have been used to study the lithiation of Li-alloying materials. Individual needles are successfully lithiated and delithiated in solid-state half-cells against a Li-metal counter-electrode. The microstructural evolution of the needles is discussed, including the transformation of one needle from single-crystal Sn to polycrystalline Sn–Li and back to single-crystal Sn.
A comparison study between Y+36° and 0° X-cut lithium niobate (LiNbO3) was performed to evaluate the influence of crystal cut on the acoustic propagation to realize a piezoelectric high-voltage sensor. The acoustic time-of-flight for each crystal cut was measured when applying direct current (DC), alternating current (AC), and pulsed voltages. Results show that the voltage-induced shift in the acoustic wave propagation time scaled quadratically with voltage for DC and AC voltages applied to X-cut crystals. For the Y+36° crystal, the voltage-induced shift scales linearly with DC voltages and quadratically with AC voltages. When applying 5 μs voltage pulses to both crystals, the voltage-induced shift scaled linearly with voltage. For the Y+36° cut, the voltage-induced shift from applying DC voltages ranged from 10 to 54 ps and 35 to 778 ps for AC voltages at 640 V over the frequency range of 100 Hz–100 kHz. Using the same conditions as the Y+36° cut, the 0° X-cut crystal sensed a shift of 10–273 ps for DC voltages and 189–813 ps for AC voltage application. For 5 μs voltage pulses, the 0° X-cut crystal sensed a voltage induced shift of 0.250–2 ns and the Y+36°-cut crystal sensed a time shift of 0.115–1.6 ns. This suggests a frequency sensitive response to voltage where the influence of the crystal cut was not a significant contributor under DC, AC, or pulsed voltage conditions. The measured DC data were compared to a 1-D impedance matrix model where the predicted incremental length changed as a function of voltage. Furthermore, when the voltage source error was eliminated through physical modeling from the uncertainty budget, the combined uncertainty of the sensor (within a 95% confidence interval) decreased to 0.0033% using a Y + 36°-cut crystal and 0.0032% using an X-cut crystal for all the voltage conditions used in this experiment.
Forrest, Eric C.; Schulze, Roland; Liu, Cheng; Dombrowski, David
Abstract The wettability of heat transfer surfaces plays an important role in liquid-vapor phase change phenomena, including boiling incipience, the critical heat flux, the Leidenfrost transition, and condensation. The influence of adsorbed surface contamination at the nanoscale, though seldom considered, can have a profound impact on wetting behavior. This study quantitatively investigates the impact of contaminant layer thickness on wettability. Various cleaning treatments are explored on zirconium and 6061 aluminum to determine the effect on contaminant and oxide layer thickness. Angle-resolved X-ray photoelectron spectroscopy can be used to measure the thickness of oxide and contaminant layers, which is then correlated to wettability by measuring the equilibrium contact angle. Results indicate that even after solvent cleaning, the contact angle of water on practical heat transfer surfaces is dominated by a hydrocarbon contaminant overlayer around five nanometers thick.
This study evaluates the degradation of six different elastomeric polymers used for O-rings: EPDM, FEPM, type I- and II-FKM, FFKM, and FSR, in five different simulated geothermal environments at 300°C: 1) non-aerated steam/cooling cycles, 2) aerated steam/cooling cycles, 3) water-based drilling fluid, 4) CO2-rich geo-brine fluid, and, 5) heat-cool water quenching cycles. The factors assessed included the extent of oxidation, changes in thermal behavior, micro-defects, permeation of ionic species from the test environments into the O-rings, silicate-related scale-deposition, and changes in the O-rings' elastic modulus. The reliability of the O-rings to maintain their integrity depended on the elastomeric polymer composition and the exposure environment. FSR disintegrated while EPDM was oxidized only to some degree in all the environments, FKM withstood heat-water quenching but underwent chemical degradation, FEPM survived in all the environments with the exception of heat-water quenching where it underwent severe oxidation-induced degradation, and FFKM displayed outstanding compatibility with all the tested environments. This paper discusses the degradation mechanisms of the polymers under the aforementioned conditions.
We use epsilon-near-zero modes in semiconductor nanolayers to design a system whose spectral properties are controlled by their interaction with multi-dipole resonances. This design flexibility renders our platform attractive for efficient nonlinear composite materials.
Modification of the dipeptide of phenylalanine, FF, with a boronic acid (BA) functionality imparts unique aqueous self-assembly behavior that responds to multiple stimuli. Changes in pH and ionic strength are used to trigger hydrogelation via the formation of nanoribbon networks. Furthermore, we show for the first time that the binding of polyols to the BA functionality can modulate a peptide between its assembled and disassembled states.
We present computational fluid dynamics (CFD) validation dataset for turbulent forced convection on a vertical plate. The design of the apparatus is based on recent validation literature and provides a means to simultaneously measure boundary conditions (BCs) and system response quantities (SRQs). Important inflow quantities for Reynolds-Averaged Navier-Stokes (RANS). CFD are also measured. Data are acquired at two heating conditions and cover the range 40,000 < Rex < 300,000, 357 < Reδ2 < 813, and 0.02 < Gr/Re2 < 0.232.
A series of polysulfone and polyacrylate-based zwitterionic coatings were prepared on epoxy-primed aluminum substrata and characterized for their antifouling (AF) and fouling-release (FR) properties towards marine bacteria, microalgae and barnacles. The zwitterionic polymer coatings provided minimal resistance against bacterial biofilm retention and microalgal cell attachment, but facilitated good removal of attached microbial biomass by exposure to water-jet apparatus generated hydrodynamic shearing forces. Increasing the ion content of the coatings improved the AF properties, but required a stronger adhesive bond to the epoxy-primed aluminum substratum to prevent coating swelling and dissolution. Grafted poly(sulfobetaine) (gpSBMA), the most promising zwitterionic coating identified from microfouling evaluations, enabled the removal of four out of five barnacles reattached to its surface without incurring damage to their baseplates. This significant result indicated that gpSBMA relied predominately on its surface chemistry for its FR properties since it was very thin (~1–2 µm) relative to commercial coating standards (>200 µm).
This letter report outlines a methodology and provides resource information for the Deep Borehole Emplacement Mode Hazard Analysis (DBEMHA). The main purpose is identify the accident hazards and accident event sequences associated with the two emplacement mode options (wireline or drillstring), to outline a methodology for computing accident probabilities and frequencies, and to point to available databases on the nature and frequency of accidents typically associated with standard borehole drilling and nuclear handling operations. Risk mitigation and prevention measures, which have been incorporated into the two emplacement designs (see Cochran and Hardin 2015), are also discussed. A key intent of this report is to provide background information to brief subject matter experts involved in the Emplacement Mode Design Study. [Note: Revision 0 of this report is concentrated more on the wireline emplacement mode. It is expected that Revision 1 will contain further development of the preliminary fault and event trees for the drill string emplacement mode.]
We discuss a new approach to computing that retains the possibility of exponential growth while making substantial use of the existing technology. The exponential improvement path of Moore's Law has been the driver behind the computing approach of Turing, von Neumann, and FORTRAN-like languages. Performance growth is slowing at the system level, even though further exponential growth should be possible. We propose two technology shifts as a remedy, the first being the formulation of a scaling rule for scaling into the third dimension. This involves use of circuit-level energy efficiency increases using adiabatic circuits to avoid overheating. However, this scaling rule is incompatible with the von Neumann architecture. The second technology shift is a computer architecture and programming change to an extremely aggressive form of Processor-In-Memory (PIM) architecture, which we call Processor-In-Memory-and-Storage (PIMS). Theoretical analysis shows that the PIMS architecture is compatible with the 3D scaling rule, suggesting both immediate benefit and a long-term improvement path.
The chief purpose of this project has been to develop a set of finite element models that attempt to explore some of the assumptions in the experimental set-up and data reduction of the Kolsky bar experiment. In brief, the Kolsky bar, sometimes referred to as the split Hopkinson pressure bar, is an experimental apparatus used to study the mechanical properties of materials at high strain rates. Kolsky bars can be constructed to conduct experiments in tension or compression, both of which are studied in this paper. The basic operation of the tension Kolsky bar is as follows: compressed air is inserted into the barrel that contains the striker; the striker accelerates towards the left and strikes the left end of the barrel producing a tensile stress wave that propogates first through the barrel and then down the incident bar, into the specimen, and finally the transmission bar. In the compression case, the striker instead travels to the right and impacts the incident bar directly. As the stress wave travels through an interface (e.g., the incident bar to specimen connection), a portion of the pulse is transmitted and the rest reflected. The incident pulse, as well as the transmitted and reflected pulses are picked up by two strain gauges installed on the incident and transmitted bars as shown. By interpreting the data acquired by these strain gauges, the stress/strain behavior of the specimen can be determined.
New large eddy simulation (LES) turbulence models for incompressible magnetohydrodynamics (MHD) derived from the variational multiscale (VMS) formulation for finite element simulations are introduced. The new models include the variational multiscale formulation, a residual-based eddy viscosity model, and a mixed model that combines both of these component models. Each model contains terms that are proportional to the residual of the incompressible MHD equations and is therefore numerically consistent. Moreover, each model is also dynamic, in that its effect vanishes when this residual is small. The new models are tested on the decaying MHD Taylor Green vortex at low and high Reynolds numbers. The evaluation of the models is based on comparisons with available data from direct numerical simulations (DNS) of the time evolution of energies as well as energy spectra at various discrete times. A numerical study, on a sequence of meshes, is presented that demonstrates that the large eddy simulation approaches the DNS solution for these quantities with spatial mesh refinement.
Ballard, Grey B.; Demmel, James; Grigori, Laura; Jacquelin, Mathias; Knight, Nicholas; Nguyen, Hong D.; Solomonik, Edgar
The Tall-Skinny QR (TSQR) algorithm is more communication efficient than the standard Householder algorithm for QR decomposition of matrices with many more rows than columns. However, TSQR produces a different representation of the orthogonal factor and therefore requires more software development to support the new representation. Further, implicitly applying the orthogonal factor to the trailing matrix in the context of factoring a square matrix is more complicated and costly than with the Householder representation. We show how to perform TSQR and then reconstruct the Householder vector representation with the same asymptotic communication efficiency and little extra computational cost. We demonstrate the high performance and numerical stability of this algorithm both theoretically and empirically. The new Householder reconstruction algorithm allows us to design more efficient parallel QR algorithms, with significantly lower latency cost compared to Householder QR and lower bandwidth and latency costs compared with Communication-Avoiding QR (CAQR) algorithm. Experiments on supercomputers demonstrate the benefits of the communication cost improvements: in particular, our experiments show substantial improvements over tuned library implementations for tall-and-skinny matrices. Furthermore, we also provide algorithmic improvements to the Householder QR and CAQR algorithms, and we investigate several alternatives to the Householder reconstruction algorithm that sacrifice guarantees on numerical stability in some cases in order to obtain higher performance.
Tunneling Field Effect Transistors (TFETs) have the potential to achieve a low operating voltage by overcoming the thermally limited subthreshold swing of 60mV/decade, but results to date have been unsatisfying. Unfortunately, TFETs have only shown steep subthreshold swings at low currents of a nA/μm or lower while we would like a mA/μm. To understand this we need to consider the two switching mechanisms in a TFET. The gate voltage can be used to modulate the tunneling barrier thickness and thus the tunneling probability as shown Fig. 1(a). Alternatively, it is possible use energy filtering or density of states (DOS) switching as illustrated in Fig. 1(b). If the conduction and valence band don't overlap, no current can flow. Once they do overlap, current can flow.
We have fabricated a superconductor (Ta)-InAs/GaSb bilayer-superconductor (Ta) junction device that has a long mean free path and can preserve the wavelike properties of particles (electrons and holes) inside the junction. Differential conductance measurements were carried out at low temperatures in this device, and McMillan-Rowell like oscillations (MROs) were observed. Surprisingly, a much larger Fermi velocity, compared to that from Shubnikov-de Haas oscillations, was obtained from the frequency of MROs. Possible mechanisms are discussed for this discrepancy.
Building a hydrogen infrastructure system is critical to supporting the development of alternate- fuel vehicles. This report provides a methodology for implementing a performance-based design of an outdoor hydrogen refueling station that does not meet specific prescriptive requirements in NFPA 2, The Hydrogen Technologies Code . Performance-based designs are a code-compliant alternative to meeting prescriptive requirements. Compliance is demonstrated by comparing a prescriptive-based fueling station design with a performance-based design approach using Quantitative Risk Assessment (QRA) methods and hydrogen risk assessment tools. This template utilizes the Sandia-developed QRA tool, Hydrogen Risk Analysis Models (HyRAM), which combines reduced-order deterministic models that characterize hydrogen release and flame behavior with probabilistic risk models to quantify risk values. Each project is unique and this template is not intended to account for site-specific characteristics. Instead, example content and a methodology are provided for a representative hydrogen refueling site which can be built upon for new hydrogen applications.
Sandia is participating in the third phase of an is a contributing partner to a U.S.-German "Joint Project" entitled "Comparison of current constitutive models and simulation procedures on the basis of model calculations of the thermo-mechanical behavior and healing of rock salt." The first goal of the project is to check the ability of numerical modeling tools to correctly describe the relevant deformation phenomena in rock salt under various influences. Achieving this goal will lead to increased confidence in the results of numerical simulations related to the secure storage of radioactive wastes in rock salt, thereby enhancing the acceptance of the results. These results may ultimately be used to make various assertions regarding both the stability analysis of an underground repository in salt, during the operating phase, and the long-term integrity of the geological barrier against the release of harmful substances into the biosphere, in the post-operating phase.
This project addresses the following technical barriers from the Safety, Codes and Standards section of the 2012 Fuel Cell Technologies Office Multi-Year Research, Development and Demonstration Plan (section 3.8): (A) Safety data and information: limited access and availability (F) Enabling national and international markets requires consistent RCS (G) Insufficient technical data to revise standards.
The project objectives are to (1) Demonstrate the feasibility of significant thermal storage for dish Stirling systems to leverage their existing high performance to greater capacity; (2) Demonstrate key components of a latent storage and transport system enabling on-dish storage with low exergy losses; and (3) Provide a technology path to a 25kWe system with 6 hours of storage.
Objective: We will research how short (ns) and ultrashort (fs) laser pulses interact with the surfaces of various materials to create complex color layers and morphological patterns. Method: We are investigating the site-specific, formation of microcolor features. Also, research includes a fundamental study of the physics underlying periodic ripple formation during femtosecond laser irradiation. Status of effort: Laser induced color markings were demonstrated on an increased number of materials (including metal thin films) and investigated for optical properties and microstructure. Technology that allows for marking curved surfaces (and large areas) has been implemented. We have used electro-magnetic solvers to model light-solid interactions leading to periodic surface ripple patterns. This includes identifying the roles of surface plasmon polaritons. Goals/Milestones: Research corrosion resistance of oxide color markings (salt spray, fog, polarization tests); Through modeling, investigate effects of multi-source scattering and interference on ripple patterns; Investigate microspectrophotometry for mapping color; and Investigate new methods for laser color marking curved surfaces and large areas.
The Department of Energy’s (DOE) Biological and Environmental Research project, “Water Cycle and Climate Extremes Modeling” is improving our understanding and modeling of regional details of the Earth’s water cycle. Sandia is using high resolution model behavior to investigate storms in the Arctic.