Two risk assessment algorithms and philosophies have been augmented and combined to form a new algorit hm, the External Threat Risk Assessment Algorithm (ExTRAA), that allows for effective and statistically sound analysis of external threat sources in relation to individual attack methods . In addition to the attack method use probability and the attack method employment consequence, t he concept of defining threat sources is added to the risk assessment process. Sample data is tabulated and depicted in radar plots and bar graphs for algorithm demonstration purposes. The largest success of ExTRAA is its ability to visualize the kind of r isk posed in a given situation using the radar plot method.
The objective of this project is to aid in the decommissioning of the Fukushima Daiichi Plant and improve severe accident codes and help to analyze the current state of units 1 thorugh 3.
We present the development of a parallel Markov Chain Monte Carlo (MCMC) method called SAChES, Scalable Adaptive Chain-Ensemble Sampling. This capability is targed to Bayesian calibration of com- putationally expensive simulation models. SAChES involves a hybrid of two methods: Differential Evo- lution Monte Carlo followed by Adaptive Metropolis. Both methods involve parallel chains. Differential evolution allows one to explore high-dimensional parameter spaces using loosely coupled (i.e., largely asynchronous) chains. Loose coupling allows the use of large chain ensembles, with far more chains than the number of parameters to explore. This reduces per-chain sampling burden, enables high-dimensional inversions and the use of computationally expensive forward models. The large number of chains can also ameliorate the impact of silent-errors, which may affect only a few chains. The chain ensemble can also be sampled to provide an initial condition when an aberrant chain is re-spawned. Adaptive Metropolis takes the best points from the differential evolution and efficiently hones in on the poste- rior density. The multitude of chains in SAChES is leveraged to (1) enable efficient exploration of the parameter space; and (2) ensure robustness to silent errors which may be unavoidable in extreme-scale computational platforms of the future. This report outlines SAChES, describes four papers that are the result of the project, and discusses some additional results.
The Microgrid Design Toolkit (MDT) supports decision analysis for new ("greenfield") microgrid designs as well as microgrids with existing infrastructure. The current version of MDT includes two main capabilities. The first capability, the Microgrid Sizing Capability (MSC), is used to determine the size and composition of a new, grid connected microgrid in the early stages of the design process. MSC is focused on developing a microgrid that is economically viable when connected to the grid. The second capability is focused on designing a microgrid for operation in islanded mode. This second capability relies on two models: the Technology Management Optimization (TMO) model and Performance Reliability Model (PRM).
The goal of this milestone is to demonstrate effective coupling between the Sierra low-Mach module Fuego and the RAMSES Boltzmann transport (particle and radiation) code Sceptre.
Geologic material properties are necessary parameters for ground motion modeling and are difficult and expensive to obtain via traditional methods. Alternative methods to estimate soil properties require a measurement of the ground's response to a force. A possible method of obtaining these measurements is active-source seismic surveys, but measurements of the ground response at the source must also be available. The potential of seismic sources to obtain soil properties is limited, however, by the repeatability of the source. Explosives, and hammer surveys are not repeatable because of variable ground coupling or swing strength. On the other hand, the Seismic Hammer TM (SH) is consistent in the amount of energy it inputs into the ground. In addition, it leaves large physical depressions as a result of ground compaction. The volume of ground compaction varies by location. Here, we hypothesize that physical depressions left in the earth by the SH correlate to energy recorded by nearby geophones, and therefore are a measurement of soil physical properties. Using measurements of the volume of shot holes, we compare the spatial distribution of the volume of ground compacted between the different shot locations. We then examine energy recorded by the nearest 50 geophones and compare the change in amplitude across hits at the same location. Finally, we use the percent difference between the energy recorded by the first and later hits at a location to test for a correlation to the volume of the shot depressions. We find that: * Ground compaction at the shot-depression does cluster geographically, but does not correlate to known surface features. * Energy recorded by nearby geophones reflects ground refusal after several hits. * There is no correlation to shot volume and changes in energy at particular shot locations. Deeper material properties (i.e. below the depth of surface compaction) may be contributing to the changes in energy propagation. * Without further processing of the data, shot-depression volumes are insufficient to understanding ground response to the SH. Without an accurate understanding of the ground response, we cannot extract material properties in conjunction with the SH survey. Additional processing including picking direct arrivals and static corrections may yield positive results.
Due to the ultra-wide bandgap of Al-rich AlGaN, up to 5.8 eV for the structures in this study, obtaining low resistance ohmic contacts is inherently difficult to achieve. A comparative study of three different fabrication schemes is presented for obtaining ohmic contacts to an Al-rich AlGaN channel. Schottky-like behavior was observed for several different planar metallization stacks (and anneal temperatures), in addition to a dry-etch recess metallization contact scheme on Al0.85Ga0.15N/Al0.66Ga0.34N. However, a dry etch recess followed by n+-GaN regrowth fabrication process is reported as a means to obtain lower contact resistivity ohmic contacts on a Al0.85Ga0.15N/Al0.66Ga0.34N heterostructure. Specific contact resistivity of 5 × 10−3 Ω cm2 was achieved after annealing Ti/Al/Ni/Au metallization.
The effects of radiation-induced defects and statistical variation in the dose and energy of MOSFET channel implants in a modern bulk CMOS technology are modeled using a process simulator in combination with analytical computations. The model integrates doping profiles obtained from process simulations and experimentally determined defect potentials into implicit surface potential equations. Solutions to these equations are used to model radiation-induced edge leakage currents in 90-nm bulk CMOS n-channel MOSFETs. The results indicate that slight variations in the channel implant parameters can have a significant impact on the doping profile along the shallow trench isolation sidewall and thus the radiation-induced edge leakage currents.
Researchers review the challenges and opportunities that we are facing in the modeling and simulation of additive manufacturing processes for metals and the predictive representation of their mechanical performance at the different scales. They highlight the current modeling efforts taking place at the US Department of Energy National Nuclear Security Administration (NNSA) Laboratories, such as process modeling, microstructure modeling, properties modeling, performance and topology and process optimization. All these various modeling developments at different scales and regimes are necessary to move toward an integrated computational approach of process-structure-properties-performance that will ultimately enable the engineering and optimization of materials to specific performance requirements. Truchas, a continuum thermo-mechanical modeling tool originally designed for the simulation of casting processes, is being extended to simulate directed energy deposition additive manufacturing processes.
A generalization of vector fields, referred to as N-direction fields or cross fields when N=4, has been recently introduced and studied for geometry processing, with applications in quadrilateral (quad) meshing, texture mapping, and parameterization. We make the observation that cross field design for two-dimensional quad meshing is related to the well-known Ginzburg-Landau problem from mathematical physics. This identification yields a variety of theoretical tools for efficiently computing boundary-aligned quad meshes, with provable guarantees on the resulting mesh, for example, the number of mesh defects and bounds on the defect locations. The procedure for generating the quad mesh is to (i) find a complex-valued "representation" field that minimizes the Dirichlet energy subject to a boundary constraint, (ii) convert the representation field into a boundary-aligned, smooth cross field, (iii) use separatrices of the cross field to partition the domain into four sided regions, and (iv) mesh each of these four-sided regions using standard techniques. Under certain assumptions on the geometry of the domain, we prove that this procedure can be used to produce a cross field whose separatrices partition the domain into four sided regions. To solve the energy minimization problem for the representation field, we use an extension of the Merriman-Bence-Osher (MBO) threshold dynamics method, originally conceived as an algorithm to simulate motion by mean curvature, to minimize the Ginzburg-Landau energy for the optimal representation field. Lastly, we demonstrate the method on a variety of test domains.
Sandia National Laboratories is an organization with a wide range of research and development activities that include nuclear, explosives, and chemical hazards. In addition, Sandia has over 2000 labs and over 40 major test facilities, such as the Thermal Test Complex, the Lightning Test Facility, and the Rocket Sled Track. In order to support safe operations, Sandia has a diverse Environment, Safety, and Health (ES&H) organization that provides expertise to support engineers and scientists in performing work safely. With such a diverse organization to support, the ES&H program continuously seeks opportunities to improve the services provided for Sandia by using various methods as part of their risk management strategy. One of the methods being investigated is using enterprise architecture analysis to mitigate risk inducing characteristics such as normalization of deviance, organizational drift, and problems in information flow. This paper is a case study for how a Department of Defense Architecture Framework (DoDAF) model of the ES&H enterprise, including information technology applications, can be analyzed to understand the level of risk associated with the risk inducing characteristics discussed above. While the analysis is not complete, we provide proposed analysis methods that will be used for future research as the project progresses.
This paper describes our effort to measure the back-streaming ions emitted from the target x-ray convertor and thus estimate the ion contribution to the A-K gap bipolar current flow. Knowing the ion contribution is quite important in order to calculate the expected x-ray dose and compare it with the actual measurements. Our plans were first to measure the total ion current using B-dot monitors, Rogowski coils, and Faraday cups and then to utilize filtered Faraday cups and time of flight techniques to identify and measure the various ionic species. The kinetic energy (velocities) of the ions should help evaluate the actual voltage applied at the anode-cathode (A-K) gap. LSP simulations found that the most prominent ions are protons and carbon single plus (C+). For an 8-MV A-K voltage, the estimated proton current back-streaming through an 1 cm in diameter hollow cathode tip was on the average 3 kA and the carbon current 0.7 kA. Since only a small fraction of the ions will make it through the cylindrical aperture, the corresponding total currents were calculated to be respectively 25kA for proton and 7 kA for carbon ions, a quite substantial contribution to the total bipolar beam current. Hence, approximately only 10% of the total back-streaming ionic currents could make it through the hollow cathode tip aperture. Unfortunately the diagnostic cables connecting the Faraday cup and the B-dot monitors to the screen room scopes experienced a large amount of charge pick-up that obliterated our effort to directly measure those relatively small currents. However, we succeeded in measuring those currents indirectly with activation techniques [Contribution of the back-streaming ions to the self-magnetic pinch (SMP) diode Current., M. G. Mazarakis, M. G. Mazarakis, M. E. Cuneo, S. D. Fournier, M. D. Johnston, M. L. Kiefer, J. J. Leckbee, D. S. Nielsen, B.V.Oliver, M. E. Sceiford, S. C. Simpson, T. J. Renk, C. L. Ruiz, T. J. Webb, and D. Ziska. Subitted for publication.]. In the following sections we present some typical cable pick-up results and also our efforts to verify that the observed “current” scope traces were indeed not ion currents but instead cable charge pic-up. Interestingly enough we also discovered that the appearance of those “currents” are in synchronism with the A-K gap impedance variation (decrease) and the MITL sheath current re-trapping. Hence those B-dots or Faraday cups could be utilized as diode behavior diagnostics.
Regulatory frameworks are a common tool in governance to incent and coerce behaviors supporting national or strategic stability. This includes domestic regulations and international agreements. Though regulation is always a challenge, the domain of fast evolving threats, like cyber, are proving much more difficult to control. Many discussions are underway searching for approaches that can provide national security in these domains. We use game theoretic learning models to explore the question of strategic stability with respect to the democratization of certain technologies (such as cyber). We suggest that such many-player games could inherently be chaotic with no corresponding (Nash) equilibria. In the absence of such equilibria, traditional approaches, as measures to achieve levels of overall security, may not be suitable approaches to support strategic stability in these domains. Altogether new paradigms may be needed for these issues. At the very least, regulatory regimes that fail to address the basic nature of the technology domains should not be pursued as a default solution, regardless of success in other domains. In addition, the very chaotic nature of these domains may hold the promise of novel approaches to regulation.
We present DAGSENS, a new theory for parametric transient sensitivity analysis of Differential Algebraic Equation systems (DAEs), such as SPICE-level circuits. The key ideas behind DAGSENS are, (1) to represent the entire sequence of computations, starting from DAE parameters, all the way up to the objective function whose sensitivity is needed, as a Directed Acyclic Graph (DAG) called the "sensitivity DAG", and (2) to compute the required sensitivities efficiently (with time complexity linear in the size of the sensitivity DAG) by leveraging dynamic programming techniques to traverse the DAG. DAGSENS is simple, elegant, and easy-to-understand compared to existing sensitivity analysis approaches; for example, in DAGSENS, one can switch between direct and adjoint transient sensitivities just by changing the direction of DAG traversal (i.e., topological order vs. reverse topological order). Also, DAGSENS is significantly more powerful than existing sensitivity analysis approaches because it allows one to compute the sensitivities of a much more general class of objective functions, including those defined based on "events" that occur during a transient simulation (e.g., a node voltage crossing a particular threshold, a phase-locked loop (PLL) achieving lock, a signal reaching its maximum/minimum value during a transient run, etc.). In this paper, we apply DAGSENS to compute the sensitivities of important event-driven performance metrics in several real-world electronic and biological applications, including high-speed communication (featuring sub-systems such as I/0 links and PLLs), statistical cell library characterization, and gene expression in Drosophila embryos.
The intent of the Building Fire Consequence Index (BFCI) at Sandia National Laboratories (SNL) is to provide a method to rank buildings based on the consequence of a fire in that building. This indexing tool will be used to determine the frequency a building's fire protection assessment (FPA) will be performed. Per DOE O 420.1C Chg. 1, Facility Safety, a FPA must be conducted annually (for facilities with a replacement value in excess of $100 million, facilities considered a high hazard, or those in which vital programs are involved), every three years (for remaining low and ordinary hazard facilities), or at a frequency with appropriate justification approved by the Depaitinent of Energy (DOE) head of field element. The BFCI provides a method for a graded approach utilizing a scoring criteria for various categories such as replacement plant value, building content value, hazards, mission dependency index, etc. when assigning FPA frequencies1.
This report documents the results of explosive re-qualification tests of the EDS V26 Vessel that were conducted at Sandia National Laboratories in Albuquerque, New Mexico in May 2015 following the retrofitting of the vessel with a three piece clamp for use on the P2A system. The V26 containment vessel is the second EDS vessel to be fabricated under Code Case 2564 of the ASME Boiler and Pressure Vessel Code, which provides rules for the design of impulsively loaded vessels. The explosive rating for the vessel, based on the code case, is nine (9) pounds TNT-equivalent for up to 637 detonations. The goals of the tests were to qualify the vessel, particularly the clamping system, for explosive use. The explosive tests consisted of a 9 pound bare charge of Composition C-4 (equivalent to 11.25 pounds TNT), followed by a 7.2 pound bare charge of Composition C-4 (equivalent to 9 pounds of TNT). Helium permeation measurements of the seal and strain measurements using a pi tape and strain gauges were made. All vessel acceptance criteria were met.
Nonrenewable resources are distributed unevenly throughout the world. Throughout history, the ability to access nonrenewable resources has been a source of geopolitical tension. Modern civilization is increasingly dependent on unevenly distributed resources that are traded globally. This cooperation has helped to increase resource security by increasing affordable access to resources around the world. The continued accessibility of nonrenewable resources is the key uncertainty to security over the next 15 to 25 years. Increased global demands for nonrenewable resources, fragility to resource shocks, and geopolitical upheavals may threaten nonrenewable resource security. A reduction in resource security could exacerbate defense and economic vulnerabilities to resource shocks, and increased fears of resource insecurity could drive conflict over resources leading to geopolitical upheavals. National security organizations can help build resource security by making investments that create resilience to resource shocks. They can also promote international cooperation that builds trust. Together, increased resilience to shocks and increased global trust should help reduce fears of resource insecurity and expand global cooperation on resource issues, thereby bolstering resource security.
In this note, a review of concerns relevant to Draft Regulatory Guide 1.183 rev.1 (DG-1199) is presented. These comments pertain to the treatment of the main steam line isolation valve (MSIV), emergency core cooling system (ECCS) and engineered safety features (ESF) during postulated accident scenarios contained within the regulatory guide. These comments are particularly salient to the mitigation and decontamination of the full core source created during a loss of coolant accident (LOCA) for boiling water reactors (BWRs).
In this note, an argument is made that the non-loss of coolant accident (LOCA) fractions of fission product inventory found within the gap is too high for alkali metals as currently specified within Regulatory Position 3.2 of Draft Regulatory Guide 1.183 rev.1 (DG-1199). This assertion extends to the enthalpy-dependent transient fission product release component used in reactivity initiated accidents. Regulatory Position 3.2 of Draft Regulatory Guide 1.183 rev. 1, which is presented below, details the release fractions of fission product inventory for postulated accident scenarios including both LOCAs and non-LOCA accidents. Relevant non-LOCA accidents include fuel handling accidents, boiling water reactor (BWR) rod drop accidents, pressurized water reactor (PWR) rod ejection accidents, BWR/PWR main steam line breaks, PWR steam generator tube ruptures and PWR locked rotor accidents.
Sandia National Laboratories is interested in understanding how data analytics can be applied to business problems, in particular financial management. This project examines how a combination of qualitative and analytical tools can be used to increase the accuracy of cost estimates at the project level. Although the initial scope of the project was to perform analyses on lab- or portfolio- level projections and forecasts, we examined project-level cost estimates for three reasons. First, qualitative and quantitative data were feasible to obtain within the 8-week project time frame. Second, we could develop a thorough enough understanding at this level to provide meaningful recommendations. Third, the results of our project would still be relevant despite undefined changes caused by the Financial Simplification. We performed external research on other companies in industry and on other national labs, internal research at Sandia, and data analysis using ARC and Excel. In total, we conducted twelve interviews, researched three other companies, and applied four analytical techniques.
We address the problem of wide-area search of overhead imagery. Given a time sequence of overhead images, we construct a geospatial-temporal semantic graph, which expresses the complex continuous information in the overhead images in a discrete searchable form, including explicit modeling of changes seen from one image to the next. We can then express desired search goals as a template graph, and search for matches using simple and efficient graph search algorithms. This produces a set of potential matches which provide cues for where to examine the imagery in detail, applying human expertise to determine which matches are correct. We include a match quality metric that scores the matches according to how well they match the stated search goal. This enables matches to be presented in sorted order with the best matches first, similar to the results returned by a web search engine. We present an evaluation of the method applied to several examples and data sets, and show that it can be used successfully for some problems. We also remark on several limitations of the method and note additional work needed to improve its scope and robustness. Approved for public release; further dissemination unlimited.
This report describes a model for the time development of carrier distributions within a metallic or semiconductor target after the onset of an incident laser pulse. The dynamics of electron and hole populations in momentum-resolved conduction- and valence-band states are treated at the level of carrier-carrier and carrier-phonon scattering. These scattering events result in plasma and lattice heating, which in turn lead to electron thermionic emission and tunneling, and target material ablation. A fairly phenomenological approach is taken to mitigate numerical computation demands, in order to facilitate parametric studies. Two examples of application are presented. One involve s the incident of an intense near-infrared laser pulse on a solid aluminum target, where the goal is to connect excited species emission to physics at a band-structure level. The second involves modeling the trigger mechanism in laser-triggered high-voltage switches, where the results are used as input to highly intensive particle-in-cell (PIC) plasma simulations of switch operation.
Comprehensive chemical kinetics models used in the simulation of hydrocarbon and biofuel oxidation rely on accurate prescription of the underlying reaction mechanisms and rate parameters of associated elementary reactions. For practical transportation fuels, such models contain thousands of elementary reactions, which collectively define chain-initiation, -propagation, -branching, and -inhibition pathways. In the low-temperature regime, below approximately 1000 K where R + O2 reactions dominate, primary oxidation intermediates including cyclic ethers, carbonyls, and conjugate alkenes are formed in abundance via unimolecular decomposition of either chemically activated or thermalized radicals, specifically organic peroxy (ROO) or hydroperoxyalkyl species (QOOH). Experimental results from multiplexed photoionization mass spectrometry (MPIMS) experiments are detailed herein for several intermediates, derived initially from R + O2 reactions of hydrocarbons and biofuels, and show that intermediate species formed in the initial steps of oxidation undergo similar reactions to those of the parent molecule, including through QOOH-mediated pathways. Products from QOOH decomposition via chain-inhibition and chain-propagation pathways, namely conjugate alkenes, carbonyls, and cyclic ethers, are detected directly. Despite such rich chemistry involving QOOH radicals, most comprehensive chemical kinetics models neglect the complete description of primary oxidation intermediates, and rather consider a restricted number of reaction pathways. It is suggested that exclusion of the details of the oxidation of these intermediate products may affect the interpretation of combustion simulations using such models.
Sandia National Laboratories has tested and evaluated the new SMAD digitizer (revision A) design by CEA, France. The digitizer was tested at the acquisition rate of 50 Hz and gain factors of 1x, 2x, 4x, and 8x. The purpose of this digitizer evaluation was to perform seismic system noise analysis with estimates of system band-width dynamic range for an STS2 application and to determine the following device specifications: bit-weight, input terminated noise with a 2x50 Ohms load, bandwidth limited dynamic range, power consumption, common-mode rejection, cross-talk, analog bandwidth, relative transfer function, total harmonic distortion, time-tag accuracy, time-tag statistics, and time-tag drift. The test results included in this report were in response to static and to tonal-dynamic input signals. Wherever possible test methodologies used were based on IEEE Standards 1057 for Digitizing Waveform Recorders and 1241 for Analog to Digital Converters.
A set of radionuclide - decay chain truncation rules have been developed for use in the Turbo FRMAC and Specialized Hazard Assessment Response Capability (SHARC) software programs used to support radiological emergency response activities . Following the proposed rules, the software will truncate a decay chain after it encounters a progeny radionuclide with a half - life greater than 5,000 years. An analysis of the projected dose from many parent and progeny radionuclides over a 50 - year time period yielded that a radionuclide half - life cutoff of 5,000 years will exclude a negligible dose. Implementing the truncation rules will reduce the time required for assessments and minimize computer hardware requ irements without having a significant detrimental effect on dose projections and emergency response decisions. It is noted that the truncation rules may not be suited for long - term ( greater than 50 year) environmental assessments.
This document presents the facility - recommended characterization of the neutron, prompt gamma - ray, and delayed gamma - ray radiation fields in the Annular Core Research Reactor ( ACRR ) Fueled - Ring External Cavity II (FREC - II) for the free - field environment at the core centerline. The designation for this environment is ACRR - FRECII - FF - cl. The neutron, prompt gamma - ray, and delayed gamma - ray energy spectra, uncertainties, and covariance matrices are presented as well as radial and axial neutron and gamma - ray fluence profiles within the experiment area of the cavity. Recommended constants are given to facilitate the conversion of various dosimetry readings into radiation metrics desired by experimenters. Representative pulse operations are presented with conversion examples.
Analog resistive memories promise to reduce the energy of neural networks by orders of magnitude. However, the write variability and write nonlinearity of current devices prevent neural networks from training to high accuracy. We present a novel periodic carry method that uses a positional number system to overcome this while maintaining the benefit of parallel analog matrix operations. We demonstrate how noisy, nonlinear TaOx devices that could only train to 80% accuracy on MNIST, can now reach 97% accuracy, only 1% away from an ideal numeric accuracy of 98%. On a file type dataset, the TaOx devices achieve ideal numeric accuracy. In addition, low noise, linear Li1-xCoO2 devices train to ideal numeric accuracies using periodic carry on both datasets.
Analog resistive memories promise to reduce the energy of neural networks by orders of magnitude. However, the write variability and write nonlinearity of current devices prevent neural networks from training to high accuracy. We present a novel periodic carry method that uses a positional number system to overcome this while maintaining the benefit of parallel analog matrix operations. We demonstrate how noisy, nonlinear TaOx devices that could only train to 80% accuracy on MNIST, can now reach 97% accuracy, only 1% away from an ideal numeric accuracy of 98%. On a file type dataset, the TaOx devices achieve ideal numeric accuracy. In addition, low noise, linear Li1-xCoO2 devices train to ideal numeric accuracies using periodic carry on both datasets.
We demonstrate the active tuning of all-dielectric metasurfaces exhibiting high-quality factor (high-Q) resonances. The active control is provided by embedding the asymmetric silicon meta-atoms with liquid crystals, which allows the relative index of refraction to be controlled through heating. It is found that high quality factor resonances (Q = 270 ± 30) can be tuned over more than three resonance widths. Our results demonstrate the feasibility of using all-dielectric metasurfaces to construct tunable narrow-band filters.
Red teaming, as it has been traditionally practiced, cannot adequately support assessment of the kinds of system of systems that IOT and related technologies will deliver. Ways must be found to transfer responsibility for system assessment from humans to the systems themselves. This will require an intentional, fundamental reframing of how the system assessment R&D community approaches its work.
As system of systems (SoS) models become increasingly complex and interconnected a new approach is needed to capture the effects of humans within the SoS. Many real-life events have shown the detrimental outcomes of failing to account for humans in the loop. This research introduces a novel and cross-disciplinary methodology for modeling humans interacting with technologies to perform tasks within an SoS specifically within a layered physical security system use case. Metrics and formulations developed for this new way of looking at SoS termed sociotechnical SoS allow for the quantification of the interplay of effectiveness and efficiency seen in detection theory to measure the ability of a physical security system to detect and respond to threats. This methodology has been applied to a notional representation of a small military Forward Operating Base (FOB) as a proof-of-concept.
As system of systems (SoS) models become increasingly complex and interconnected a new approach is needed to capture the effects of humans within the SoS. Many real-life events have shown the detrimental outcomes of failing to account for humans in the loop. This research introduces a novel and cross-disciplinary methodology for modeling humans interacting with technologies to perform tasks within an SoS specifically within a layered physical security system use case. Metrics and formulations developed for this new way of looking at SoS termed sociotechnical SoS allow for the quantification of the interplay of effectiveness and efficiency seen in detection theory to measure the ability of a physical security system to detect and respond to threats. This methodology has been applied to a notional representation of a small military Forward Operating Base (FOB) as a proof-of-concept.
We present a systematic approach for increasing the concentration of redox-active species in electrolytes for nonaqueous redox flow batteries (RFBs). Starting with an ionic liquid consisting of a metal coordination cation (MetIL), ferrocene-containing ligands and iodide anions are substituted incrementally into the structure. While chemical structures can be drawn for molecules with 10 m redox-active electrons (RAE), practical limitations such as melting point and phase stability constrain the structures to 4.2 m RAE, a 2.3× improvement over the original MetIL. Dubbed “MetILs3,” these ionic liquids possess redox activity in the cation core, ligands, and anions. Throughout all compositions, infrared spectroscopy shows the ethanolamine-based ligands primarily coordinate to the Fe2+ core via hydroxyl groups. Calorimetry conveys a profound change in thermophysical properties, not only in melting temperature but also in suppression of a cold crystallization only observed in the original MetIL. Square wave voltammetry reveals redox processes characteristic of each molecular location. Testing a laboratory-scale RFB demonstrates Coulombic efficiencies >95% and increased voltage efficiencies due to more facile redox kinetics, effectively increasing capacity 4×. Application of this strategy to other chemistries, optimizing melting point and conductivity, can yield >10 m RAE, making nonaqueous RFB a viable technology for grid scale storage.
With the advent of the internet-of-things, sensors that are constantly alert yet consuming near-zero power are desired. Remote sensing applications where sensor replacement is costly or hazardous would also benefit. Piezoelectric micro-electro-mechanical systems (MEMS) convert mechanical or acoustic energy into electrical signals while consuming zero power. When coupled with low-power complementary metal-oxide-semiconductor (CMOS) circuits, a near-zero power sensing system is formed. This work describes piezoelectric MEMS microphones based on aluminum nitride (AlN). The microphones operate as passive acoustic filters by placing their resonant response within bandwidths of interest. Devices are demonstrated with operational frequencies from 430 Hz to greater than 10 kHz with quality factors as large as 3,000 and open-circuit voltages exceeding 600 mV/Pa.
AlGaN:Si epilayers with uniform Al compositions of 60%, 70%, 80%, and 90% were grown by metal-organic vapor phase epitaxy along with a compositionally graded, unintentionally doped (UID) AlGaN epilayer with the Al composition varying linearly between 80% and 100%. The resistivity of AlGaN:Si with a uniform composition increased significantly for the Al content of 80% and greater, whereas the graded UID-AlGaN film exhibited resistivity equivalent to 60% and 70% AlGaN:Si owing to polarization-induced doping. Deep level defect studies of both types of AlGaN epilayers were performed to determine why the electronic properties of uniform-composition AlGaN:Si degraded with increased Al content, while the electronic properties of graded UID-AlGaN did not. The deep level density of uniform-composition AlGaN:Si increased monotonically and significantly with the Al mole fraction. Conversely, graded-UID AlGaN had the lowest deep level density of all the epilayers despite containing the highest Al composition. These findings indicate that Si doping is an impetus for point defect incorporation in AlGaN that becomes stronger with the increasing Al content. However, the increase in deep level density with the Al content in uniform-composition AlGaN:Si was small compared to the increase in resistivity. This implies that the primary cause for increasing resistivity in AlGaN:Si with the increasing Al mole fraction is not compensation by deep levels but rather increasing activation energy for the Si dopant. The graded UID-AlGaN films maintained low resistivity because they do not rely on thermal ionization of Si dopants.
Miniature ultrasonic lysis for biological sample preparation is a promising technique for efficient and rapid extraction of nucleic acids and proteins from a wide variety of biological sources. Acoustic methods achieve rapid, unbiased, and efficacious disruption of cellular membranes while avoiding the use of harsh chemicals and enzymes, which interfere with detection assays. In this work, a miniature acoustic nucleic acid extraction system is presented. Using a miniature bulk acoustic wave (BAW) transducer array based on 36° Y-cut lithium niobate, acoustic waves were coupled into disposable laminate-based microfluidic cartridges. To verify the lysing effectiveness, the amount of liberated ATP and the cell viability were measured and compared to untreated samples. The relationship between input power, energy dose, flow-rate, and lysing efficiency were determined. DNA was purified on-chip using three approaches implemented in the cartridges: a silica-based sol-gel silica-bead filled microchannel, nucleic acid binding magnetic beads, and Nafion-coated electrodes. Using E. coli, the lysing dose defined as ATP released per joule was 2.2× greater, releasing 6.1× more ATP for the miniature BAW array compared to a bench-top acoustic lysis system. An electric field-based nucleic acid purification approach using Nafion films yielded an extraction efficiency of 69.2% in 10 min for 50 μL samples.
In recent years, α-quartz has been used prolifically as an impedance matching standard in shock wave experiments in the multi-Mbar regime (1 Mbar = 100 GPa = 0.1 TPa). This is due to the fact that above ∼90-100 GPa along the principal Hugoniot α-quartz becomes reflective, and thus, shock velocities can be measured to high precision using velocity interferometry. The Hugoniot and release of α-quartz have been studied extensively, enabling the development of an analytical release model for use in impedance matching. However, this analytical release model has only been validated over a range of 300-1200 GPa (0.3-1.2 TPa). Here, we extend this analytical model to 200-3000 GPa (0.2-3 TPa) through additional α-quartz Hugoniot and release measurements, as well as first-principles molecular dynamics calculations.
The fragment impact response of two plastic-bonded explosive (PBX) formulations was studied using explosively driven aluminum fragments. A generic aluminum-capped detonator generated sub-mm aluminum particles moving at hypersonic velocities. The ability of these fragments to initiate reaction or otherwise damage two PBX materials was assessed using go/no-go experiments at standoff distances of up to 160 mm. Lower density PBX 9407 (RDX-based) was initiable at up to 115 mm, while higher density PBX 9501 (HMX-based) was only initiable at up to 6 mm. Several techniques were used to characterize the size, distribution, and velocity of the particles. Witness plate materials, including copper and polycarbonate, and backlit high speed video were used to characterize the distribution of particles, finding that the aluminum cap did not fragment homogeneously but rather with larger particles in a ring surrounding finer particles. Finally, precise digital holography experiments were conducted to measure the three-dimensional shape and size of the fastest-moving fragments, which ranged between 100 and 700 μm and traveled between 2.2 and 3.2 km/s. Crucially, these experiments showed variability in the fragmentation in terms of the number of fragments at the leading edge of the fragment field, indicating that both single and multiple shock impacts could be imparted to the target material. These types of data are critical for safety experiments and hydrocode simulations to quantify shock-to-detonation transition mechanisms and the associated risk-margins for these materials.
Amplifiers of free-space radiation are quite useful, especially in spectral ranges where the radiation is weak and sensitive detectors are hard to come by. A preamplification of the said weak radiation signal will significantly boost the S/N ratio in remote sensing and imaging applications. This is especially true in the terahertz (THz) range where the radiation signal is often weak and sensitive detectors require the cooling of liquid helium. Although quantum cascade structures are promising for providing amplification in the terahertz band from 2 to 5 THz, a THz amplifier has been demonstrated in an integrated form, in which the source is in close proximity to the amplifier, which will not be suitable for the aforementioned applications. Here we demonstrate what we believe is a novel approach to achieve significant amplification of free-space THz radiation using an array of short-cavity, surface-emitting THz quantum cascade lasers operating marginally below the lasing threshold as a Fabry–Perot amplifier. This free-space “slow light” amplifier provides 7.5 dB(×5.6) overall gain at ∼3.1 THz. The proposed devices are suitable for low-noise pre-amplifiers in heterodyne detection systems and for THz imaging systems. With the sub-wavelength pixel size of the array, the reflective amplifier can also be categorized as active metasurface, with the ability to amplify or absorb specific frequency components of the input THz signal.
A series of fluorescent silyl-fluorene molecules were synthesized and studied with respect to their photophysical properties and response toward ionizing neutron and gamma-ray radiation. Optically transparent and stable organic glasses were prepared from these materials using a bulk melt-casting procedure. The prepared organic glass monoliths provided fluorescence quantum yields and radiation detection properties exceeding the highest-performing benchmark materials such as solution-grown trans-stilbene crystals. Co-melts based on blends of two different glass-forming compounds were prepared with the goal of enhancing the stability of the amorphous state. Accelerated aging experiments on co-melt mixtures ranging from 0% to 100% of each component indicated improved resistance to recrystallization in the glass blends, able to remain fully amorphous for >1 month at 60 °C. Secondary dopants comprising singlet fluorophores or iridium organometallic compounds provided further improved detection efficiency, as evaluated by light yield and neutron/gamma particle discrimination measurements. Optimized singlet and triplet doping levels were determined to be 0.05 wt % 1,4-bis(2-methylstyryl)benzene singlet fluorophore and 0.28 wt % Ir3+, respectively.
Here, the values of the ionization energies of transition metal dichalcogenides (TMDs) are needed to assess their potential usefulness in semiconductor heterojunctions for high-performance optoelectronics. Here, we report on the systematic determination of ionization energies for three prototypical TMD monolayers (MoSe2, WS2, and MoS2) on SiO2 using photoemission electron microscopy with deep ultraviolet illumination. The ionization energy displays a progressive decrease from MoS2, to WS2, to MoSe2, in agreement with predictions of density functional theory calculations. Combined with the measured energy positions of the valence band edge at the Brillouin zone center, we deduce that, in the absence of interlayer coupling, a vertical heterojunction comprising any of the three TMD monolayers would form a staggered (type-II) band alignment. This band alignment could give rise to long-lived interlayer excitons that are potentially useful for valleytronics or efficient electron–hole separation in photovoltaics.
Designers of direct-injection compression-ignition engines use a variety of strategies to improve the fuel/charge-gas mixture within the combustion chamber for increased efficiency and reduced pollutant emissions. Strategies include the use of high fuel-injection pressures, multiple injections, small injector orifices, flow swirl, long-ignition-delay conditions, and oxygenated fuels. This is the first journal publication paper on a new mixing-enhancement strategy for emissions reduction: ducted fuel injection. The concept involves injecting fuel along the axis of a small cylindrical duct within the combustion chamber, to enhance the mixture in the autoignition zone relative to a conventional free-spray configuration (i.e., a fuel spray that is not surrounded by a duct). Finally, the results described herein, from initial proof-of-concept experiments conducted in a constant-volume combustion vessel, show dramatically lower soot incandescence from ducted fuel injection than from free sprays over a range of charge-gas conditions that are representative of those in modern direct-injection compression-ignition engines.
In 2016, Lewis Rhodes Labs, (LRL), shipped the first commercially viable Neuromorphic Processing Unit, (NPU), branded as a Neuromorphic Data Microscope (NDM). This product leverages architectural mechanisms derived from the sensory cortex of the human brain to efficiently implement pattern matching. LRL and Sandia National Labs have optimized this product for streaming analytics, and demonstrated a 1,000x power per operation reduction in an FPGA format. When reduced to an ASIC, the efficiency will improve to 1,000,000x. Additionally, the neuromorphic nature of the device gives it powerful computational attributes that are counterintuitive to those schooled in traditional von Neumann architectures. The Neuromorphic Data Microscope is the first of a broad class of brain-inspired, time domain processors that will profoundly alter the functionality and economics of data processing.
Biswas, Shubhadeep; Champion, Christophe; Weck, Philippe F.; Tribedi, Lokesh C.
Interaction between polycyclic aromatic hydrocarbon (PAH) molecule and energetic ion is a subject of interest in different areas of modern physics. Here, we present measurements of energy and angular distributions of absolute double differential electron emission cross section for coronene (C24H12) and fluorene (C13H10) molecules under fast bare oxygen ion impact. For coronene, the angular distributions of the low energy electrons are quite different from that of simpler targets like Ne or CH4, which is not the case for fluorene. The behaviour of the higher electron energy distributions for both the targets are similar to that for simple targets. In case of coronene, a clear signature of plasmon resonance is observed in the analysis of forward-backward angular asymmetry of low energy electron emission. For fluorene, such signature is not identified probably due to lower oscillator strength of plasmon compared to the coronene. The theoretical calculation based on the first-order Born approximation with correct boundary conditions (CB1), in general, reproduced the experimental observations qualitatively, for both the molecules, except in the low energy region for coronene, which again indicates the role of collective excitation. Single differential and total cross sections are also deduced. An overall comparative study is presented.
A machine learning–based framework for modeling the error introduced by surrogate models of parameterized dynamical systems is proposed. The framework entails the use of high-dimensional regression techniques (eg, random forests, and LASSO) to map a large set of inexpensively computed “error indicators” (ie, features) produced by the surrogate model at a given time instance to a prediction of the surrogate-model error in a quantity of interest (QoI). This eliminates the need for the user to hand-select a small number of informative features. The methodology requires a training set of parameter instances at which the time-dependent surrogate-model error is computed by simulating both the high-fidelity and surrogate models. Using these training data, the method first determines regression-model locality (via classification or clustering) and subsequently constructs a “local” regression model to predict the time-instantaneous error within each identified region of feature space. We consider 2 uses for the resulting error model: (1) as a correction to the surrogate-model QoI prediction at each time instance and (2) as a way to statistically model arbitrary functions of the time-dependent surrogate-model error (eg, time-integrated errors). We then apply the proposed framework to model errors in reduced-order models of nonlinear oil-water subsurface flow simulations, with time-varying well-control (bottom-hole pressure) parameters. The reduced-order models used in this work entail application of trajectory piecewise linearization in conjunction with proper orthogonal decomposition. Moreover, when the first use of the method is considered, numerical experiments demonstrate consistent improvement in accuracy in the time-instantaneous QoI prediction relative to the original surrogate model, across a large number of test cases. When the second use is considered, results show that the proposed method provides accurate statistical predictions of the time- and well-averaged errors.
The structures and properties of Ce1-xZrxO2 (x = 0-1) solid solutions, selected Ce1-xZrxO2 surfaces, and Ce1-xZrxO2/CeO2 interfaces were computed within the framework of density functional theory corrected for strong electron correlation (DFT+U). The calculated Debye temperature increases steadily with Zr content in (Ce, Zr)O2 phases, indicating a significant rise in microhardness from CeO2 to ZrO2, without appreciable loss in ductility as the interfacial stoichiometry changes. Surface energy calculations for the low-index CeO2(111) and (110) surfaces show limited sensitivity to strong 4f-electron correlation. The fracture energy of Ce1-xZrxO2(111)/CeO2(111) increases markedly with Zr content, with a significant decrease in energy for thicker Ce1-xZrxO2 films. These findings suggest the crucial role of Zr acting as a binder at the Ce1-xZrxO2/CeO2 interfaces, due to the more covalent character of Zr-O bonds compared to Ce-O. The impact of surface relaxation upon interface cracking was assessed and found to reach a maximum for Ce0.25Zr0.75O2/CeO2 interfaces.
Molecular scale understanding of the structure and properties of aqueous interfaces with clays, metal (oxy-) hydroxides, layered double hydroxides, and other inorganic phases is strongly affected by significant degrees of structural and compositional disorder of the interfaces. ClayFF was originally developed as a robust and flexible force field for classical molecular simulations of such systems (Cygan, R. T.; Liang, J.-J.; Kalinichev, A. G. J. Phys. Chem. B 2004, 108, 1255-1266). However, despite its success, multiple limitations have also become evident with its use. One of the most important limitations is the difficulty to accurately model the edges of finite size nanoparticles or pores rather than infinitely layered periodic structures. Here we propose a systematic approach to solve this problem by developing specific metal-O-H (M-O-H) bending terms for ClayFF, Ebend = k (θ - θ0)2 to better describe the structure and dynamics of singly protonated hydroxyl groups at mineral surfaces, particularly edge surfaces. On the basis of a series of DFT calculations, the optimal values of the Al-O-H and Mg-O-H parameters for Al and Mg in octahedral coordination are determined to be θ0,AlOH = θ0,MgOH = 110°, kAlOH = 15 kcal mol-1 rad-2 and kMgOH = 6 kcal mol-1 rad-2. Molecular dynamics simulations were performed for fully hydrated models of the basal and edge surfaces of gibbsite, Al(OH)3, and brucite, Mg(OH)2, at the DFT level of theory and at the classical level, using ClayFF with and without the M-O-H term. The addition of the new bending term leads to a much more accurate representation of the orientation of O-H groups at the basal and edge surfaces. The previously observed unrealistic desorption of OH2 groups from the particle edges within the original ClayFF model is also strongly constrained by the new modification.
Dielectric metasurfaces that exploit the different Mie resonances of nanoscale dielectric resonators are a powerful platform for manipulating electromagnetic fields and can provide novel optical behavior. In this work, we experimentally demonstrate independent tuning of the magnetic dipole resonances relative to the electric dipole resonances of split dielectric resonators (SDRs). By increasing the split dimension, we observe a blue shift of the magnetic dipole resonance toward the electric dipole resonance. Therefore, SDRs provide the ability to directly control the interaction between the two dipole resonances within the same resonator. For example, we achieve the first Kerker condition by spectrally overlapping the electric and magnetic dipole resonances and observe significantly suppressed backward scattering. Moreover, we show that a single SDR can be used as an optical nanoantenna that provides strong unidirectional emission from an electric dipole source.
Many lithium-storage materials operate via first-order phase transformations with slow kinetics largely restricted by the nucleation and growth of a new phase. Due to the energy penalties associated with interfaces between coexisting phases, the tendency for a single-phase solid-solution pathway with exceptional reaction kinetics has been predicted to increase with decreasing particle size. Unfortunately, phase evolutions inside such small particles (tens of nanometers) are often shrouded by electrode-scale inhomogeneous reactions containing millions of particles, leading to intensive debate over the size-dependent microscopic reaction mechanisms. This study provides a generally applicable methodology capable of tracking lithiation pathways in individual nanoparticles and unambiguously reveals that lithiation of anatase TiO2, previously long believed to be biphasic, converts to a single-phase reaction when particle size reaches ≈25 nm. These results imply the prevalence of such a size-dependent transition in lithiation mechanism among intercalation compounds and provide important guidelines for designing high-power electrodes, especially cathodes.
Herein, we describe a novel multifunctional metal-organic framework (MOF) materials platform that displays both porosity and tunable emission properties as a function of the metal identity (Eu, Nd, and tuned compositions of Nd/Yb). Their emission collectively spans the deep red to near-infrared (NIR) spectral region (∼614-1350 nm), which is highly relevant for in vivo bioimaging. These new materials meet important prerequisites as relevant to biological processes: they are minimally toxic to living cells and retain structural integrity in water and phosphate-buffered saline. To assess their viability as optical bioimaging agents, we successfully synthesized the nanoscale Eu analog as a proof-of-concept system in this series. In vitro studies show that it is cell-permeable in individual RAW 264.7 mouse macrophage and HeLa human cervical cancer tissue culture cells. The efficient discrimination between the Eu emission and cell autofluorescence was achieved with hyperspectral confocal fluorescence microscopy, used here for the first time to characterize MOF materials. Importantly, this is the first report that documents the long-term conservation of the intrinsic emission in live cells of a fluorophore-based MOF to date (up to 48 h). This finding, in conjunction with the materials' very low toxicity, validates the biocompatibility in these systems and qualifies them as promising for use in long-term tracking and biodistribution studies.
Forecasts of available wind power are critical in key electric power systems operations planning problems, including economic dispatch and unit commitment. Such forecasts are necessarily uncertain, limiting the reliability and cost effectiveness of operations planning models based on a single deterministic or “point” forecast. A common approach to address this limitation involves the use of a number of probabilistic scenarios, each specifying a possible trajectory of wind power production, with associated probability. We present and analyze a novel method for generating probabilistic wind power scenarios, leveraging available historical information in the form of forecasted and corresponding observed wind power time series. We estimate non-parametric forecast error densities, specifically using epi-spline basis functions, allowing us to capture the skewed and non-parametric nature of error densities observed in real-world data. We then describe a method to generate probabilistic scenarios from these basis functions that allows users to control for the degree to which extreme errors are captured.We compare the performance of our approach to the current state-of-the-art considering publicly available data associated with the Bonneville Power Administration, analyzing aggregate production of a number of wind farms over a large geographic region. Finally, we discuss the advantages of our approach in the context of specific power systems operations planning problems: stochastic unit commitment and economic dispatch. Here, our methodology is embodied in the joint Sandia – University of California Davis Prescient software package for assessing and analyzing stochastic operations strategies.
Physical stress relaxation in rubbery, thermoset polymers is limited by cross-links, which impede segmental motion and restrict relaxation to network defects, such as chain ends. In parallel, the cure shrinkage associated with thermoset polymerizations leads to the development of internal residual stress that cannot be effectively relaxed. Recent strategies have reduced or eliminated such cure stress in thermoset polymers largely by exploiting chemical relaxation processes, wherein temporary cross-links or otherwise transient bonds are incorporated into the polymer network. Here, we explore an alternative approach, wherein physical relaxation is enhanced by the incorporation of organometallic sandwich moieties into the backbone of the polymer network. A standard epoxy resin is cured with a diamine derivative of ferrocene and compared to conventional diamine curing agents. The ferrocene-based thermoset is clearly distinguished from the conventional materials by reduced cure stress with increasing cure temperature as well as unique stress relaxation behavior above its glass transition in the fully cured state. The relaxation experiments exhibit features characteristic of a physical relaxation process. Furthermore, the cure stress is observed to vanish precipitously upon deliberate introduction of network defects through an increasing imbalance of epoxy and amine functional groups. We postulate that these beneficial properties arise from fluxional motion of the cyclopentadienyl ligands on the polymer backbone.
Network messaging delay historically constitutes a large portion of the wall-clock time for High Performance Computing (HPC) applications, as these applications run on many nodes and involve intensive communication among their tasks. Dragonfly network topology has emerged as a promising solution for building exascale HPC systems owing to its low network diameter and large bisection bandwidth. Dragonfly includes local links that form groups and global links that connect these groups via high bandwidth optical links. Many aspects of the dragonfly network design are yet to be explored, such as the performance impact of the connectivity of the global links, i.e., global link arrangements, the bandwidth of the local and global links, or the job allocation algorithm. This paper first introduces a packet-level simulation framework to model the performance of HPC applications in detail. The proposed framework is able to simulate known MPI (message passing interface) routines as well as applications with custom-defined communication patterns for a given job placement algorithm and network topology. Using this simulation framework, we investigate the coupling between global link bandwidth and arrangements, communication pattern and intensity, job allocation and task mapping algorithms, and routing mechanisms in dragonfly topologies. We demonstrate that by choosing the right combination of system settings and workload allocation algorithms, communication overhead can be decreased by up to 44%. We also show that circulant arrangement provides up to 15% higher bisection bandwidth compared to the other arrangements, but for realistic workloads, the performance impact of link arrangements is less than 3%.
Alignment of the electronically excited E,F state of the H2 molecule is studied using the velocity mapping imaging technique. Photofragment images of H+ due to the dissociation mechanism that follows the 2-photon excitation into the (E,F; ν = 0, J = 0) electronic state show a strong dependence on laser intensity, which is attributed to the high polarizability anisotropy of the H2 (E,F) state. We observe a marked structure in the angular distribution, which we explain as the interference between the prepared J = 0 and Stark-mixed J = 2 rovibrational states of H2, as the laser intensity increases. Quantification of these effects allows us to extract the polarizability anisotropy of the H2 (E,F J = 0) state yielding a value of 312 ± 82 a.u. (46 Å3). By comparison, CS2 has 10 Å3, I2 has 7 Å3, and hydrochlorothiazide (C7H8ClN3O4S2) has about 25 Å3 meaning that we have created the most easily aligned molecule ever measured, by creating a mixed superposition state that is highly anisotropic in its polarizability.
Since the first ion imaging experiment [D. W. Chandler and P. L. Houston, J. Chem. Phys. 87, 1445-1447 (1987)], demonstrating the capability of collecting an image of the photofragments from a unimolecular dissociation event and analyzing that image to obtain the three-dimensional velocity distribution of the fragments, the efficacy and breadth of application of the ion imaging technique have continued to improve and grow. With the addition of velocity mapping, ion/electron centroiding, and slice imaging techniques, the versatility and velocity resolution have been unmatched. Recent improvements in molecular beam, laser, sensor, and computer technology are allowing even more advanced particle imaging experiments, and eventually we can expect multi-mass imaging with co-variance and full coincidence capability on a single shot basis with repetition rates in the kilohertz range. This progress should further enable “complete” experiments - the holy grail of molecular dynamics - where all quantum numbers of reactants and products of a bimolecular scattering event are fully determined and even under our control.
This user manual is intended to provide instructions to volunteer beta testers on how to use Sandia National Laboratories (SNL) PV Reliability Performance Model (PV-RPM) features in the National Renewable Energy Laboratory (NREL) System Advisor Model (SAM) version 2017.1.17 r4 (NREL, 2017). This new feature is provided in SAM to allow users with reliability data the ability to develop and run scenarios where PV performance and costs are impacted from components that can fail stochastically. This is intended to be an advanced user feature as it requires knowledge and data regarding different PV component failure modes. It also relies heavily on the SAM LK scripting language, which is not utilized by a majority of SAM users. NREL has published a SAM LK users guide (Dobos, 2017) and has multiple online help topics and videos to get users familiar with the scripting language and what it can do. This user instruction manual will provide some background on how data collected from a PV system can be used as inputs in the PV-RPM model, which will give data owners the ability to develop their own reliability and repair distributions outside of the example provided here.
Here, epsilon-near-zero materials provide a new path for tailoring light-matter interactions at the nanoscale. In this paper, we analyze a compact electroabsorption modulator based on epsilon-near-zero confinement in transparent conducting oxide films. The non-resonant modulator operates through field-effect carrier density tuning. We compare the performance of modulators composed of two different conducting oxides, namely indium oxide (In2O3) and cadmium oxide (CdO), and show that better modulation performance is achieved when using high-mobility (i.e. low-loss) epsilon-near-zero materials such as CdO. In particular, we show that non-resonant electroabsorption modulators with sub-micron lengths and greater than 5 dB extinction ratios may be achieved through the proper selection of high-mobility transparent conducting oxides, opening a path for device miniaturization and increased modulation depth.
National Security Technologies (NSTec) is developing dense plasma focus (DPF) systems for applications requiring intense pulsed neutron sources. Sandia National Laboratories participated in a limited number of experiments with one of those systems. In collaboration with NSTec, Los Alamos National Laboratory, and Lawrence Livermore National Laboratory, we installed additional electrical and X-ray image measurements in parallel with normal operation of the system. Dense plasma focus machines have been studied for decades, but much of the experimental interest has been on neutron and X-ray yield. The primary goal for the present work was to develop and field high-fidelity and traceably-calibrated current and voltage measurements for comparison to digital simulations. The secondary goals were to utilize the current and voltage measurements to add general understanding of vacuum insulator behavior and current sheath dynamics. We also conducted initial scoping studies of soft X-ray diagnostics. We will show the electrical diagnostics and the techniques used to acquire high-fidelity signals in the difficult environment of the 2 MA, 6 μ plasma focus drive pulse. We will show how we measure accreted plasma mass non-invasively, and the sensitivity to background fill density. We will present initial qualitative results from filtered X-ray pinhole images and spectroscopic data from the pinch region.
We have constructed a Component Test Stand (CTS) to test various high voltage components to be utilized in near future pulsed-power devices. In addition to cable and oil feed-through design voltage hold off, different types of high voltage switches will be evaluated. The system contains two switches connected in series separated by ∼60 ns worth of high voltage cable. The configuration is such that triggering the first switch enables the triggering of the second switch. This way we can evaluate the performance of two switches at the same time and study the influence of one switch on the other. A software system similar to LabView is designed and built to operate and collect data in a rep-rated mode. The two switches are immersed in transformer oil tanks and pressurized with dry air. The present paper will mainly present a cable-oil feed-through design evaluation as a function of repetition rate. The rep-rate will be adjusted to not affect the cable voltage hold-off as well as switch performance. The rep-rate is necessary in order to obtain component lifetime results in a reasonably short time. Apparently the transformer oil in a high voltage DC environment behaves much differently than in AC. Its behavior is similar to a weak electrolyte, and space charge effects seriously affect the current through it as well as the field distribution. This consideration is quite important in designing the proper high voltage DC cable-oil feedthroughs.
Ormond, Eugene C.; Garcia, Michael R.; Smith, John R.; Hogge, Keith W.; Huber, Steven R.; Perez, Jesus R.; Romero, Thomas A.; Truong, Hoai T.V.
The Cygnus Dual Beam Radiographic Facility consists of two identical radiographic sources each with a dose rating of 4-rad at 1 m, and a 1-mm diameter spot size. The development of the rod pinch diode was responsible for the ability to meet these criteria1. The rod pinch diode in a Cygnus machine uses a 0.75-mm diameter, tapered tip, tungsten anode rod extended through a 9-mm diameter, aluminum cathode aperture. When properly configured, the electron beam born off the aperture edge can self-insulate and pinch onto the tip of the rod creating an intense, small x-ray source. The Cygnus sources are utilized as the primary diagnostic on Subcritical Experiments that are single-shot, high-value events. In such an application, there is a necessity for reliability and reproducibility, as well as a precise measurement of these qualities. On Cygnus, the primary diagnostic for reliability and reproducibility is dosimetry. Thermoluinescent2 dosimeters (TLDs) are used for time-integrated dose, and PIN diodes are used for time-resolved dose. Precision dosimetry calibration methods and results will be presented. Cygnus reliability and reproducibility using TLD dosimetry measurements will be given.
Ormond, Eugene C.; Garcia, Michael R.; Smith, John R.; Hogge, Keith W.; Huber, Steven R.; Perez, Jesus R.; Romero, Thomas A.; Truong, Hoai T.V.
The Cygnus Dual Beam Radiographic Facility consists of two identical radiographic sources each with a dose rating of 4-rad at 1 m, and a 1-mm diameter spot size. The development of the rod pinch diode was responsible for the ability to meet these criteria1. The rod pinch diode in a Cygnus machine uses a 0.75-mm diameter, tapered tip, tungsten anode rod extended through a 9-mm diameter, aluminum cathode aperture. When properly configured, the electron beam born off the aperture edge can self-insulate and pinch onto the tip of the rod creating an intense, small x-ray source. The Cygnus sources are utilized as the primary diagnostic on Subcritical Experiments that are single-shot, high-value events. In such an application, there is a necessity for reliability and reproducibility, as well as a precise measurement of these qualities. On Cygnus, the primary diagnostic for reliability and reproducibility is dosimetry. Thermoluinescent2 dosimeters (TLDs) are used for time-integrated dose, and PIN diodes are used for time-resolved dose. Precision dosimetry calibration methods and results will be presented. Cygnus reliability and reproducibility using TLD dosimetry measurements will be given.
The Z machine is a 36-module, multi-megavolt, low impedance magnetic pressure driver for high-energy-density physics experiments. In 2007, a major re-build doubled the stored energy and increased the peak current capability of Z. The upgraded system routinely drives 27 MA through low inductance dynamic loads with 110 nanosecond time to peak current. The Z pulsed power system is expected to be prepared for a full-energy experiment every day, with a small (<2%) chance of pulsed power system failure, and ±2 ns timing precision. To maintain that schedule with 20 MJ stored, it becomes essential to minimize failures that can damage hardware. We will show the results of several improvements made to the system that reduce spurious breakdowns and improve precision. In most cases, controlling electric fields is key, both to reliable insulation and to precision switching. The upgraded Z pulsed power system was originally intended to operate with 5 MV peak voltage in the pulse-forming section. Recent operation has been above 6 MV. Critical items in the pulsed power system are the DC-charged Marx generators, oil-water barriers, laser-triggered gas switches, and the vacuum insulator. We will show major improvements to the laser-triggered gas switches, and the water-insulated pulse forming lines, as well as delivered current reproducibility results from user experiments on the machine.
This paper describes the hardware changes made to the triggering system of the HERMES III accelerator at Sandia National Laboratories, New Mexico. The HERMES III accelerator is a gamma ray simulator producing 100 kRad dose per shot with a full width half max pulse duration of approximately 25 nanoseconds and averaging six shots per day. For each accelerator test, approximately 400 probe signals are recorded over approximately 65 digitizers. The original digitizer trigger system employed numerous independent legacy signal generators resulting in non-referenceable digitizer time bases. We detail our efforts to reference the digitizer time bases together using a modular and scalable approach with commercial-off-the-shelf components. This upgraded trigger system presently measures a maximum digitizer trigger time spread of less than two nanoseconds across the 65+ digitizers. This document details the hardware changes, provides a summary of the accelerator charging process, presents 'one-line' trigger system diagrams and summarizes the times of interest for a typical HERMES accelerator shot.
The Z machine is a 36-module, multi-megavolt, low impedance magnetic pressure driver for high-energy-density physics experiments. In 2007, a major re-build doubled the stored energy and increased the peak current capability of Z. The upgraded system routinely drives 27 MA through low inductance dynamic loads with 110 nanosecond time to peak current. The Z pulsed power system is expected to be prepared for a full-energy experiment every day, with a small (<2%) chance of pulsed power system failure, and ±2 ns timing precision. To maintain that schedule with 20 MJ stored, it becomes essential to minimize failures that can damage hardware. We will show the results of several improvements made to the system that reduce spurious breakdowns and improve precision. In most cases, controlling electric fields is key, both to reliable insulation and to precision switching. The upgraded Z pulsed power system was originally intended to operate with 5 MV peak voltage in the pulse-forming section. Recent operation has been above 6 MV. Critical items in the pulsed power system are the DC-charged Marx generators, oil-water barriers, laser-triggered gas switches, and the vacuum insulator. We will show major improvements to the laser-triggered gas switches, and the water-insulated pulse forming lines, as well as delivered current reproducibility results from user experiments on the machine.
This paper describes the software changes made to the data processing and display system for HERMES III accelerator at the Simulation Technology Laboratory (STL) at Sandia National Laboratories, New Mexico. The HERMES III accelerator is a gamma ray simulator producing 100kRad[Si] dose per shot with a full width half max pulse duration of 25 nanoseconds averaging six shots per day. For each accelerator test approximately 400 probe signals are recorded over approximately 65 digitizers. The original data processing system provided the operator a report summarizing the start of probe signal timings for groups of probes located within the power flow conductors. This timing information is indicative of power flow symmetry allowing the operator to make necessary adjustments prior to the next test. The report also provided data overlays concerning laser trigger light output, x-ray diode currents and x-ray source output. Power flow in the HERMES III accelerator is comprised of many circuit paths and detailed current and voltage information within these paths could provide a more thorough understanding of accelerator operation and performance, however this information was either not quickly available to the operators or the display of the data was not optimum. We expanded our data processing abilities to determine the current and voltage amplitudes throughout the power flow conductors and improved the data display abilities so data plots can be presented in a more organized fashion. We detail our efforts creating a software program capable of processing the 400 probe signals together with an organized method for displaying the dozens of current and voltage probes. This process is implemented immediately after all digitizer data has been collected so the operator is provided timing and power flow information shortly after each accelerator shot.
The National Infrastructure Simulations and Analysis Center (NISAC) has developed a nationwide model of the Internet to study the potential impact of the loss of physical facilities on the network and on other infrastructures that depend on the Internet for services. The model looks at the Internet from the perspective of Internet Service Providers (ISPs) and their connectivity and can be used to determine how the network connectivity could be modified to assist in mitigating an event. In addition the model could be used to explore how portions of the network could be made more resilient to disruptive events.
This document provides a description and user manual for the ChatterBell voice telecom modeling and simulation capability. The intended audience consists of network planners and practitioners who wish to use the tool to model a particular voice network and analyze its behavior under varying assumptions and possible failure conditions. ChatterBell is built on top of the N-SMART voice simulation and visualization suite that was developed through collaboration between Sandia National Laboratories and Bell Laboratories of Lucent Technologies. The new and improved modeling and simulation tool has been modified and modernized to incorporate the latest development in the telecom world including the widespread use of VoIP technology. In addition, ChatterBell provides new commands and modeling capabilities that were not available in the N-SMART application.
Additive manufacturing offers unprecedented opportunities to design complex structures optimized for performance envelopes inaccessible under conventional manufacturing constraints. Additive processes also promote realization of engineered materials with microstructures and properties that are impossible via traditional synthesis techniques. Enthused by these capabilities, optimization design tools have experienced a recent revival. The current capabilities of additive processes and optimization tools are summarized briefly, while an emerging opportunity is discussed to achieve a holistic design paradigm whereby computational tools are integrated with stochastic process and material awareness to enable the concurrent optimization of design topologies, material constructs and fabrication processes.
Computer Methods in Applied Mechanics and Engineering
Reddy, Sohail R.; Freno, Brian A.; Cizmas, Paul G.A.; Gokaltun, Seckin; Mcdaniel, Dwayne; Dulikravich, George S.
A novel approach is presented to constrain reduced-order models (ROM) based on proper orthogonal decomposition (POD). The Karush–Kuhn–Tucker (KKT) conditions were applied to the traditional reduced-order model to constrain the solution to user-defined bounds. The constrained reduced-order model (C-ROM) was applied and validated against the analytical solution to the first-order wave equation. C-ROM was also applied to the analysis of fluidized beds. It was shown that the ROM and C-ROM produced accurate results and that C-ROM was less sensitive to error propagation through time than the ROM.
A series of constant mean stress (CMS) and constant shear stress (CSS) tests were performed to investigate the evolution of permeability and Biot coefficient at high mean stresses in a high porosity reservoir analog (Castlegate sandstone). Permeability decreases as expected with increasing mean stress, from about 20 Darcy at the beginning of the tests to between 1.5 and 0.3 Darcy at the end of the tests (mean stresses up to 275 MPa). The application of shear stress causes permeability to drop below that of a hydrostatic test at the same mean stress. Results show a nearly constant rate decrease in the Biot coefficient as the mean stress increases during hydrostatic loading, and as the shear stress increases during CMS loading. CSS tests show a stabilization of the Biot coefficient after the application of shear stress.
Additive manufacturing (AM) is of tremendous interest given its ability to realize complex, non-traditional geometries in engineered structural materials. However, microstructures generated from AM processes can be equally, if not more, complex than their conventionally processed counterparts. While some microstructural features observed in AM may also occur in more traditional solidification processes, the introduction of spatially and temporally mobile heat sources can result in significant microstructural heterogeneity. While grain size and shape in metal AM structures are understood to be highly dependent on both local and global temperature profiles, the exact form of this relation is not well understood. Here, an idealized molten zone and temperature-dependent grain boundary mobility are implemented in a kinetic Monte Carlo model to predict three-dimensional grain structure in additively manufactured metals. To demonstrate the flexibility of the model, synthetic microstructures are generated under conditions mimicking relatively diverse experimental results present in the literature. Simulated microstructures are then qualitatively and quantitatively compared to their experimental complements and are shown to be in good agreement.
This work reports on irradiation-induced creep (IIC) measured on nanolaminate (Cu-W and Ni-Ag) and nanocrystalline alloys (Cu-W) at room temperature using a combination of heavy ion irradiation and nanopillar compression performed concurrently in situ in a transmission electron microscope. Appreciable IIC is observed in multilayers with 50 nm layer thicknesses at high stress, ≈½ the yield strength, but not in multilayers with only 5 nm layer thicknesses.
The impact on the final morphology of yttria (Y2O3) nanoparticles from different ratios (100/0, 90/10, 65/35, and 50/50) of oleylamine (ON) and oleic acid (OA) via a solution precipitation route has been determined. In all instances, powder X-ray diffraction indicated that the cubic Y2O3 phase (PDF #00-025-1200) with the space group I-3a (206) had been formed. Analysis of the collected FTIR data revealed the presence of stretches and bends consistent with ON and OA, for all ratios investigated, except the 100/0. Transmission electron microscopy images revealed regular and elongated hexagons were produced for the ON (100/0) sample. As OA was added, the nanoparticle morphology changed to lamellar pillars (90/10), then irregular particles (65/35), and finally plates (50/50). The formation of the hexagonal-shaped nanoparticles was determined to be due to the preferential adsorption of ON onto the {101} planes. As OA was added to the reaction mixture, it was found that the {111} planes were preferentially coated, replacing ON from the surface, resulting in the various morphologies noted. The roles of the ratio of ON/OA in the synthesis of the nanocrystals were elucidated in the formation of the various Y2O3 morphologies, as well as a possible growth mechanism based on the experimental data.
Fast neutrons are an important signature of special nuclear materials (SNMs). They have a low natural background rate and readily penetrate high atomic number materials that easily shield gamma-ray signatures. Therefore, they provide a complementary signal to gamma rays for detecting shielded SNM. Scattering kinematics dictate that a large nucleus (such as Cd or Te) will recoil with small kinetic energy after an elastic collision with a fast neutron. Charge carrier recombination and quenching further reduce the recorded energy deposited. Thus, the energy threshold of CdZnTe detectors must be very low in order to sense the small signals from these recoils. In this paper, the threshold was reduced to less than 5 keVee to demonstrate that the 5.9-keV X-ray line from 55Fe could be separated from electronic noise. Elastic scattering neutron interactions were observed as small energy depositions (less than 20 keVee) using digitally sampled pulse waveforms from pixelated CdZnTe detectors. Characteristic gamma-ray lines from inelastic neutron scattering were also observed.
This report describes recommended abuse testing procedures for rechargeable energy storage systems (RESSs) for electric vehicles. This report serves as a revision to the FreedomCAR Electrical Energy Storage System Abuse Test Manual for Electric and Hybrid Electric Vehicle Applications (SAND2005-3123).
Simple motion models for complex motion environments are often not adequate for keeping radar data coherent. Eve n perfect motion samples appli ed to imperfect models may lead to interim calculations e xhibiting errors that lead to degraded processing results. Herein we discuss a specific i ssue involving calculating motion for groups of pulses, with measurements only available at pulse-group boundaries. - 4 - Acknowledgements This report was funded by General A tomics Aeronautical Systems, Inc. (GA-ASI) Mission Systems under Cooperative Re search and Development Agre ement (CRADA) SC08/01749 between Sandia National Laboratories and GA-ASI. General Atomics Aeronautical Systems, Inc. (GA-ASI), an affilia te of privately-held General Atomics, is a leading manufacturer of Remotely Piloted Aircraft (RPA) systems, radars, and electro-optic and rel ated mission systems, includin g the Predator(r)/Gray Eagle(r)-series and Lynx(r) Multi-mode Radar.
Lithium ion batteries for use in battery electric vehicles (BEVs) has seen considerable expansion over the last several years. It is expected that market share and the total number of BEVs will continue to increase over coming years and that there will be changes in the environmental and use conditions for BEV batteries. Specifically aging of the batteries and exposure to an increased number of crash conditions presents a distinct possibility that batteries may be in an unknown state posing danger to the operator, emergency response personnel and other support personnel. The present work expands on earlier efforts to explore the ability to rapidly monitor using impedance spectroscopy techniques and characterize the state of different battery systems during both typical operations and under abusive conditions. The work has found that it is possible to detect key changes in performance for strings of up to four cells in both series and parallel configurations for both typical and abusive response. As a method the sensitivity for detecting change is enhanced for series configurations. For parallel configurations distinct changes are more difficult to ascertain, but under abusive conditions and for key frequencies it is feasible to use current rapid impedance techniques to identify change. The work has also found it feasible to use rapid impedance as an evaluation method for underload conditions, especially for series strings of cells.
The goal of the DuraMAT Predictive Simulation Capability Area is to develop a suite of modeling and simulation tools to enhance understanding of module-level thermo-mechanical-electrical effects contributing to degradation of solar photovoltaic modules. Since these effects invoke multiple physical mechanisms and take place over greatly varied time- and length- scales, developing a module-level model of sufficient resolution to capture all geometries and physics of interest was expected to be near code capability and computational resource limits. A series of sub-models and workflows were developed to assess physics and material model maturity and the necessary computational capacity for resolving degradation mechanisms of interest. Knowledge gained from these activities help to better scope future development efforts, in line with available computational and code capabilities. This memo serves as the DuraMAT Quarterly Progress Indicator (QPI) for Quarter 3 of Fiscal Year 2017 (Project Quarter 1 / Month 3), and documents completion of Milestone Subtask 2.2.1.