Publications

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Water shortages are a growing global problem. Reclamation of industrial and municipal wastewater will be necessary in order to mitigate water scarcity. However, many operational challenges, such as silica scaling, prevent large scale water reuse. Previously, our team at Sandia has demonstrated the use of selective ion exchange materials, such as calcinated hydrotalcite (HTC, (Mg ₆ Al ₂ (OH) ₁₆ (CO ₃ )*4H ₂ O)), for the low cost removal of silica from synthetic cooling tower water. However, it is not currently know if calcinated HTC has similar capabilities in realistic applications. The purpose of this study was to investigate the ability of calcinated HTC to remove silica from real cooling tower water. This was investigated under both batch and continuous conditions, and in the presence of competing ions. It was determined that calcinated HTC behaved similarly in real and synthetic cooling tower water; the HTC is highly selective for the silica even in the presence of competing cations. Therefore, the data concludes that calcinated HTC is a viable anti-scaling pretreatment for the reuse of industrial wastewaters.

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In this study, the structure and composition of lithium silicate thin films deposited by RF magnetron co-sputtering is investigated. Five compositions ranging from Li2Si2O5 to Li8SiO6 were confirmed by inductively coupled plasma-optical emission spectroscopy (ICP-OES) and structure analysis on the evolution of non-bridging oxygens in the thin films was conducted with fourier transform infrared (FTIR) spectroscopy. It was found that non-bridging oxygens (NBOs) increased as the silicate network breaks apart with increasing lithium content which agrees with previous studies on lithium silicates. Thin film impurities were examined with x-ray photoelectron spectroscopy (XPS) and time of flight secondary ion mass spectroscopy (TOFSIMS) and traced back to target synthesis. This study utilizes a unique synthesis technique for lithium silicate thin films and can be referred to in future studies on the ionic conductivity of lithium silicates formed on the surface of silicon anodes in lithium ion batteries.

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The overall goal of this work was to develop, establish the credibility of, and deliver to our NW users a multi-physics performance model of a single cell of a thermally activated battery.

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We show scaling results for materials of interest in Sandia Radiation-Effects and High-Energy-Density-Physics Mission Areas. Each timing is from a self-consistent calculation for bulk material. Two timings are given: (1) walltime for the construction of the CR exchange operator (Exchange-Operator) and (2) walltime for everything else (non-Exchange-Operator).

The amount of text data has been growing exponentially in recent years, giving rise to automatic information extraction methods that store text annotations in a database. The current state-of-theart structured prediction methods, however, are likely to contain errors and it’s important to be able to manage the overall uncertainty of the database. On the other hand, the advent of crowdsourcing has enabled humans to aid machine algorithms at scale. As part of this project we introduced pi-CASTLE , a system that optimizes and integrates human and machine computing as applied to a complex structured prediction problem involving conditional random fields (CRFs). We proposed strategies grounded in information theory to select a token subset, formulate questions for the crowd to label, and integrate these labelings back into the database using a method of constrained inference. On both a text segmentation task over academic citations and a named entity recognition task over tweets we showed an order of magnitude improvement in accuracy gain over baseline methods.

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The Chain of Custody Item Monitor (CoCIM) developed by Sandia National Laboratories is one of the most mature and well-studied active seals for use in containment applications for arms control treaty verification and international nuclear safeguards. However, its typical design includes wireless communications provided by a radio frequency (RF) transmitter and receiver. While this provides flexibility of movement for many applications, it is unnecessary and undesired for some treaty verification applications. This report details the design and construction of two variants of the CoCIM that remove the RF transmission capability in favor of directly connected wired and short-range infrared communications, as well as a new coordinator that is used to interface the CoCIM to a computer, and new interface software that is simplified for a likely inspection use case.

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The design, construction, and initial testing of a high-magnification, long working-distance plenoptic camera is reported. A plenoptic camera uses a microlens array to enable resolution of the spatial and angular information of the incoming light field. With this, instantaneous images can be numerically refocused and perspective shifted in post-processing to enable instantaneous three-dimensional (3D) resolution of a scene. Prior to this work, most applications of plenoptic imaging were limited to relatively low magnifications (1× or less) or small working distances. Here, a unique system is developed with enables 5× magnification at a working distance of over a quarter meter. Experimental results demonstrate ~25 m spatial resolution with 3D imaging capabilities. This technology is demonstrated on two practical applications. First, burning aluminum particles on the order of 100 m in diameter are imaged near the reacting surface of a combusting solid rocket propellant. The long working distance is particularly advantageous for protection of the experimental hardware in this extremely hazardous environment. Next, background oriented schlieren is used to resolve the 3D structure of an underexpanded free jet. This demonstrates the ability to resolve index-of-refraction gradients at the working distances and spatial scales necessary to meet our ultimate goal of resolving 3D turbulent transition in the boundary layer of Sandia’s Hypersonic Wind Tunnel (HWT).

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Sandia National Laboratories/New Mexico is located in Albuquerque, New Mexico, primarily on Department of Energy (DOE) permitted land on approximately 2,800 acres of Kirtland Air Force Base. There are approximately 5.5 million square feet of buildings, with a workforce of approximately 9200 personnel. Sandia National Laboratories Materials Sustainability and Pollution Prevention (MSP2) program adopted in 2008 an internal team goal for New Mexico site operations for Zero Waste to LandfilI by 2025. Sandia solicited a consultant to assist in the development of a Zero Waste Strategic Plan. The Zero Waste Consultant Team selected is a partnership of SBM Management Services and Gary Liss & Associates. The scope of this Plan is non-hazardous solid waste and covers the life cycle of material purchases to the use and final disposal of the items at the end of their life cycle.

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The use of next-generation platforms (NGPs), also known as advanced technology systems (ATS), that incorporate many-core and heterogeneous architectures for scientific computing represent a tectonic shift in computing hardware design that will require massive development work within the Sierra applications to harness these systems to their full potential. The completion of this milestone represents a first step towards this effort by threading many of the computational kernels within Sierra/Aria.

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This report is the final deliverable for a techno-economic analysis of the Sandia National Laboratories-developed Twistact rotary electrical conductor. The U.S. Department of Energy Wind Energy Technologies Office supported a team of researchers at Sandia National Laboratories and the National Renewable Energy Laboratory to evaluate the potential of the Twistact technology to serve as a viable replacement to rare-earth materials used in permanent-magnet direct-drive wind turbine generators. This report compares three detailed generator models, two as baseline technologies and a third incorporating the Twistact technology. These models are then used to calculate the levelized cost of energy (LCOE) for three comparable offshore wind plants using the three generator topologies. The National Renewable Energy Laboratorys techno-economic analysis indicates that Twistact technology can be used to design low-maintenance, brush-free, and wire-wound (instead of rare-earth-element (REE) permanent-magnet), direct-drive wind turbine generators without a significant change in LCOE and generation efficiency. Twistact technology acts as a hedge against sources of uncertain costs for direct-drive generators. On the one hand, for permanent-magnet direct-drive (PMDD) generators, the long-term price of REEs may increase due to increases in future demand, from electric vehicles and other technologies, whereas the supply remains limited and geographically concentrated. The potential higher prices in the future adversely affect the cost competitiveness of PMDD generators and may thwart industry investment in the development of the technology for wind turbine applications. Twistact technology can eliminate industry risk around the uncertainty of REE price and availability. Traditional wire-wound direct-drive generators experience reliability issues and higher maintenance costs because of the wear on the contact brushes necessary for field excitation. The brushes experience significant wear and require regular replacement over the lifetime of operation (on the order of a year or potentially less time). For offshore wind applications, the focus of this study, maintenance costs are higher than typical land-based systems due to the added time it often requires to access the site for repairs. Thus, eliminating the need for regular brush replacements reduces the uncertain costs and energy production losses associated with maintenance and replacement of contact brushes. Further, Twistact has a relatively negligible impact on LCOE but hedges risks associated with the current dominant designs for direct-drive generators for PMDD REE price volatility and wire-wound generator contact brush reliability. A final section looks at the overall supply chain of REEs considering the supply-side and demand-side drivers that encourage the risk of depending on these materials to support future deployment of not only wind energy but other industries as well.

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Characterizing the tails of probability distributions plays a key role in quantification of margins and uncertainties (QMU), where the goal is characterization of low probability, high consequence events based on continuous measures of performance. When data are collected using physical experimentation, probability distributions are typically fit using statistical methods based on the collected data, and these parametric distributional assumptions are often used to extrapolate about the extreme tail behavior of the underlying probability distribution. In this project, we character- ize the risk associated with such tail extrapolation. Specifically, we conducted a scaling study to demonstrate the large magnitude of the risk; then, we developed new methods for communicat- ing risk associated with tail extrapolation from unvalidated statistical models; lastly, we proposed a Bayesian data-integration framework to mitigate tail extrapolation risk through integrating ad- ditional information. We conclude that decision-making using QMU is a complex process that cannot be achieved using statistical analyses alone.

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This report documents the key findings from the Reservoir Maintenance and Development (RM&D) Task of the U.S. Department of Energy's (DOE), Geothermal Technologies Office (GTO) Geothermal Vision Study (GeoVision Study). The GeoVision Study had the objective of conduc ting analyses of future geothermal growth based on sets of current and future geothermal technology developments. The RM&D Task is one of seven tasks within the GeoVision Study with the others being, Exploration and Confirmation, Potential to Penetration, Institutional Market Barriers, Environmental and Social Impacts, Thermal Applications, and Hybrid Systems. The full set of findings and the details of the GeoVision Study can be found in the final GeoVision Study report on the DOE-GTO website. As applied here, RM&D refers to the activities associated with developing, exploiting, and maintaining a known geothermal resource. It assumes that the site has already been vetted and that the resource has been evaluated to be of sufficient quality to move towards full-scale development. It also assumes that the resource is to be developed for power generation, as opposed to low-temperature or direct use applications. This document presents the key factors influencing RM&D from both a technological and operational standpoint and provides a baseline of its current state. It also looks forward to describe areas of research and development that must be pursued if the development geothermal energy is to reach its full potential.

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Our nation's dependence on information networks makes it vital to anticipate disruptions or find weaknesses in these networks. But networks like the Internet are vast, distributed, and there is no mechanism to completely collect their structure. We are restricted to specific data collection schemes (like traceroute samples from router interfaces) that examine tiny portions of such a network. It has been empirically documented and theoretically proven that these measurements have significant biases, and direct inferences from them will be wrong. But these data collection mechanisms have limited flexibility and cannot be easily modified. Moreover, in many applications there are limits on how much data can be collected. How do we make accurate inferences of network properties with biased and limited measurements? The general problem this report deals with is how to work with incompletely observed networks. We will present several different approaches to this problem. First we will present an approach to estimate the degree distribution of a graph by sampling only a small portion of the vertices. This algorithm provides provably accurate results with sublinear samples. An alternative approach would be to try to enhance the information in the by selective collecting new information by probing for neighbors of a vertex or presence of individual edges. A different setting for working with incomplete arises when we have full access to local information, but do not have any global version of the graph. Can we still identify critical nodes in such a graph? We present an approach to identify such nodes efficiently. Finally, how can we put these ideas together to identify the structure of a network? We present an approach that can complement the existing approaches for network mapping. We start with an estimate of network structure based on existing network mapping methods. Then we find a critical router in the network, use the traffic through this network to selectively collect new data to enhance our prediction.

For a heave-pitch-surge three-degrees-of-freedom wave energy converter, the heave mode is usually decoupled from the pitch-surge modes for small motions. The pitch-surge modes are usually coupled and are parametrically excited by the heave mode, depending on the buoy geometry. In this paper, a Model Predictive Control is applied to the parametric excited pitch-surge motion, while the heave motion is optimized independently. The optimality conditions are derived, and a gradient-based numerical optimization algorithm is used to search for the optimal control. Numerical tests are conducted for regular and Bretschneider waves. The results demonstrate that the proposed control can be implemented to harvest more than three times the energy that can be harvested using a heave-only wave energy converter. The energy harvested using a parametrically excited model is higher than that is harvested when using a linear model.

We report on the development of a frequency domain method of analysis in the Panzer foundation of Charon. We first present a harmonic balance approach for calculating the frequency-domain response (in its weak form) of a non-linear system of partial differential equations (PDEs). Our approach is anemable to adaptation of Charon's transient PDE models for frequency domain analysis. We make an observation that allows us to analyze either small-signal or large-signal responses with minimal specialization of the algorithm. We conclude by confirming our small- and large-signal analyses of a transient, linear Helmholtz equation by comparing its analytic solution to our results. We include figures from a sequence of non-linear perturbations of this system, showcasing the fact that, when the non-linearities are insignificant, the small- and large-signal analyses obtain similar solutions. On the other hand, we depict the inadequacy of a small-signal analysis to accurately capture the response in the presence of a large non-linearity, and underscore the requirement to employ a large-signal analysis for modelling highly non-linear systems.

The purpose of the scenarios workshop held for the Civilian Nuclear component of the Global Nuclear Assured Security Mission Integration Initiative was to identify sources of risk in the global civilian nuclear enterprise. The risks identified are inadequately addressed through current technical measures, regulatory frameworks and institutions and should be considered for further research. The workshop participants also developed four high level scenarios describing different sequences of events that could result in radiological releases, widespread loss of electric power, and loss of public confidence in segments of the nuclear industry. The scenarios are intended for further analysis and as the basis for simulation exercises.

In this paper, a coherent subsampling digitizer for pulsed Doppler radar systems is proposed. Prior to transmission, the radar system modulates the RF pulse with a known pseudorandom binary phase shift keying (BPSK) sequence. Upon reception, the radar digitizer uses a programmable sample-and-hold circuit to multiply the received waveform by a properly time-delayed version of the known a priori BPSK sequence. This operation demodulates the desired echo signal while suppressing the spectrum of all in-band noncorrelated interferers, making them appear as noise in the frequency domain. The resulting demodulated narrowband Doppler waveform is then subsampled at the IF frequency by a delta-sigma modulator. Because the digitization bandwidth within the delta-sigma feedback loop is much less than the input bandwidth to the digitizer, the thermal noise outside of the Doppler bandwidth is effectively filtered prior to quantization, providing an increase in signal-to-noise ratio (SNR) at the digitizer's output compared with the input SNR. In this demonstration, a delta-sigma correlation digitizer is fabricated in a 0.18-μm CMOS technology. The digitizer has a power consumption of 1.12 mW with an IIP3 of 7.5 dBm. The digitizer is able to recover Doppler tones in the presence of blockers up to 40 dBm greater than the Doppler tone.

A distributed impedance 'field cage' structure is proposed and evaluated for electric field control in GaN-based, lateral high electron mobility transistors operating as kilovolt-range power devices. In this structure, a resistive voltage divider is used to control the electric field throughout the active region. The structure complements earlier proposals utilizing floating field plates that did not employ resistively connected elements. Transient results, not previously reported for field plate schemes using either floating or resistively connected field plates, are presented for ramps of dVds/dt = 100 V/ns. For both dc and transient results, the voltage between the gate and drain is laterally distributed, ensuring that the electric field profile between the gate and drain remains below the critical breakdown field as the source-to-drain voltage is increased. Our scheme indicates promise for achieving the breakdown voltage scalability to a few kilovolts.

Our study details the derivation of the nonlinear equations of motion for the axial, biaxial bending and torsional vibrations of an aeroelastic cantilever undergoing rigid body (pitch) rotation at the base. The primary attenstion is focussed on the geometric nonlinearities of the system, whereby the aeroelastic load is modeled by the theory of linear quasisteady aerodynamics. This modelling effort is intended to mimic the wind-tunnel experimental setup at the Royal Military College of Canada. While the derivation closely follows the work of Hodges and Dowell [1] for rotor blades, this aeroelastic system contains new inertial terms which stem from the fundamentally different kinematics than those exhibited by helicopter or wind turbine blades. Using the Hamilton’s principle, a set of coupled nonlinear partial differential equations (PDEs) and an ordinary differential equation (ODE) are derived which describes the coupled axial-bending-bending-torsion-pitch motion of the aeroelastic cantilever with the pitch rotation. The finite dimensional approximation of the coupled system of PDEs are obtained using the Galerkin projection, leading to a coupled system of ODEs. Subsequently, these nonlinear ODEs are solved numerically using the built-in MATLAB implicit ODE solver and the associated numerical results are compared with those obtained using Houbolt’s method. It is demonstrated that the system undergoes coalescence flutter, leading to a limit cycle oscillation (LCO) due to coupling between the rigid body pitching mode and teh flexible mode arising from the flapwise bending motion.

In this study, solubility measurements on tri-calcium di-citrate tetrahydrate [Ca₃[C₃H₅O(COO)₃]2•4H₂O, abbreviated as Ca₃[Citrate]₂•4H₂O] as a function of ionic strength are conducted in NaCl solutions up to I = 5.0 mol•kg^–1 and in MgCl₂ solutions up to I = 7.5 mol•kg^–1, at room temperature (22.5 ± 0.5°C). The solubility constant (log K$0\atop{sp}$) for Ca₃[Citrate]₂•4H₂O and formation constant (logβ$0\atop{1}$) for Ca[C₃H₅O(COO)₃]^–Ca₃[C₃H₅O(COO)₃]₂•4H₂O (earlandite) = 3Ca²⁺ + 2[C₃H₅O(COO)₃]^3– + 4H₂O (1) Ca²⁺ + [C₃H₅O(COO)₃]^3– = Ca[C₃H₅O(COO)₃]^– (2) are determined as –18.11 ± 0.05 and 4.97 ± 0.05, respectively, based on the Pitzer model with a set of Pitzer parameters describing the specific interactions in NaCl and M_gCl₂ media.

For this study, the interactions of lead with citrate and ethylenediaminetetraacetate (EDTA) are investigated based on solubility measurements as a function of ionic strength at room temperature (22.5 ± 0.5°C) in NaCl and M_gCl₂ solutions. The formation constants (log β₁⁰ ) for Pb[C₃H₅O(COO)₃]– (abbreviated as PbCitrate^–) and Pb[(CH₂COO)₂N(CH2)₂N(CH₂COO)₂)]^2– (abbreviated as PbEDTA^2–) Pb²⁺ + [C₃H₅O(COO)₃]^3– = Pb[C₃H₅O(COO)₃]^– (1) Pb²⁺ + (CH₂COO)₂N(CH₂)₂N(CH₂COO)₂)^4- = Pb[(CH₂COO)₂N(CH₂)₂N(CH₂COO)₂)]^2– (2) are evaluated as 7.28 ± 0.18 (2σ) and 20.00 ± 0.20 (2σ), respectively, with a set of Pitzer parameters describing the specific interactions in NaCl and M_gCl₂ media. Based on these parameters, the interactions of lead with citrate and EDTA in various low temperature environments can be accurately modelled.

Significant quantities of water are produced during enhanced oil recovery making these “produced water” streams attractive candidates for treatment and reuse. However, high concentrations of dissolved silica raise the propensity for fouling. In this paper, we report the design and economic analysis for a new ion exchange process using calcined hydrotalcite (HTC) to remove silica from water. This process improves upon known technologies by minimizing sludge product, reducing process fouling, and lowering energy use. Process modeling outputs included raw material requirements, energy use, and the minimum water treatment price (MWTP). Monte Carlo simulations quantified the impact of uncertainty and variability in process inputs on MWTP. These analyses showed that cost can be significantly reduced if the HTC materials are optimized. Specifically, R&D improving HTC reusability, silica binding capacity, and raw material price can reduce MWTP by 40%, 13%, and 20%, respectively. Optimizing geographic deployment further improves cost competitiveness.

The objective of the Crystalline Disposal R&D control account 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.

Current models for hydrogen embrittlement rely on adjustable parameters to correct for uncertainties in crack tip stress fields and subsequent H₂-concentrations. Techniques are needed to quantify these concentrations ahead of crack tips in mechanically loaded materials, providing data for model calibration and validation. The goal of this work was to establish advanced analytical techniques to detect and quantitatively measure hydrogen ahead of cracks in stressed solids. Two advanced analytical techniques, kelvin probe force microscopy (KPFM) and nuclear reaction analysis (NRA), were explored to evaluate the feasibility to provide qualitative and quantitative H₂-concentration fields in geometries designed to be 'loaded' while under observation. The feasibility of the KPFM technique at detecting hydrogen was evaluated using electrochemically precharged hydrogen as well as a mixed hydrogen gas atmosphere. The KPFM technique was able to detect the presence of elevated stress and hydrogen concentrations ahead of a tensile loaded crack tip. The results suggest that KPFM is a viable technique for qualitatively imaging changes in stress and hydrogen concentrations on the scale needed to inform predictive models. KPFM could be used to provide local stress and hydrogen variations associated with hydrogen traps or different phases which require sensitive measurements on the micron scale. NRA provided quantitative measurements of the hydrogen-isotope deuterium ahead of a tensile loaded notch, however, the vacancy formation due to the incident high energy He 3 beam overwhelmed stress-assisted enhancement of deuterium concentrations such that the effect of stress was overshadowed in this analysis. Modeling of the chemo- mechanical hydrogen concentration change was used to verify this observation.

The energy density of nonaqueous redox flow batteries is often limited by the concentration of the redox active species soluble in solution. A possible route to increasing the this energy density is through the use of energy-dense solid materials such as polyoxometalates, LiFePO₄, or Li_xTi0₂. These solid materials can be contained in canisters through which an electrolyte with dissolved redox-active species is flowed. The redox potentials for the flowing species are chosen specifically such that they mediate the chemical reduction and oxidation of the solid components. This strategy is advantageous in that it allows for independent optimization of the flow electrolyte (e.g. for low viscosity, high charging rate) and the solid energy storing media (e.g. high energy density). This report summarizes results using a variety of redox active organic and metalorganic species to mediate the oxidation and reduction of polyoxometalate and Li-ion battery chemistries in a redox flow battery system.

Deep borehole disposal (DBD) has been suggested as an option for disposing spent nuclear fuel in a number of countries, including several countries that are subject to international safeguards. DBD presents some distinct challenges for safeguards compared to a conventional mined geological repository (MGR), including the ability to verify declared design information about the borehole. The ability to verify a borehole's design is crucial for assuring that spent fuel or other accountable nuclear materials are disposed as declared in a borehole of known and verifiable design. This study reviews existing commercial off-the-shelf (COTS) borehole inspection tools currently used by the drilling industry, and evaluates the capabilities of those COTS inspection tools against how well they can meet potential needs and requirements of Design Information Verification (DIV) inspections for international safeguards. The study provides recommendations for several promising COTS borehole inspection tools that might be used for DIV safeguards inspections and recommends possible modifications and future testing

Progress toward quantitative measurements and simulations of 3D, temporally resolved aerodynamic induced liquid atomization is reported. Columns of water and galinstan (liquid metal at room temperature) are subjected to a step change in relative gas velocity within a shock tube. Breakup morphologies are shown to closely resemble previous observations of spherical drops. The 3D position, size, and velocity of secondary fragments are quantified by a high-speed digital inline holography (DIH) system developed for this measurement campaign. For the first time, breakup dynamics are temporally resolved at 100 kHz close to the atomization zone where secondary drops are highly non-spherical. Experimental results are compared to interface capturing simulations using a combined level set moment of fluid approach (CLSMOF). Initial simulation results show good agreement with observed breakup morphologies and rates of deformation.

Graphs are widely used to model relationships in a wide variety of domains such as sociology, bioinformatics, infrastructure, the WWW, to name a few. One of the key observations is that while real-world graphs are often globally sparse, they are locally dense. In other words, the average degree is often quite small (say at most 10 in a million vertex graph), but vertex neighborhoods are often dense. Finding dense subgraphs is a critical aspect of graph mining It has been used for finding communities and spam link farms in web graphs, graph visualization, real-time story identification, DNA motif detection in biological networks, finding correlated genes, epilepsy prediction, finding price value motifs in financial data, graph compression, distance query indexing, and increasing the throughput of social networking site servers. However, most standard formulations of this problem (like clique, quasi-clique, k-densest subgraph) are NP-hard. Furthermore, current dense subgraph finding algorithms usually optimize some objective, and only find a few such subgraphs without providing any structural relations, whereas the goal is rarely to find the "true optimum," but to identify many (if not all) dense substructures, understand their distribution in the graph, and ideally determine relationships among them. In this project, we first aim to devise algorithms and provide 3 implementations with nice visualizations to find the hierarchy between dense subgraphs, and then understand the structure of the hierarchy to gain more insight on the hidden patterns in real-world networks. Another important aspects in graph analysis is the temporal nature of networks. Networks evolve over time and in many applications data arrives at a high velocity, and thus it is important to design algorithms that can process data efficiently. We report three main results towards identifying dense structures in large evolving graphs. First, we will show how the hierarchical connectedness structure can be maintained efficiently, where connectedness is defined by increasing levels of connectivity strength. Next, we present dense structure can be identified in bipartite graphs without building projection graphs. And finally, we present a new method for peeling algorithms This new approach avoids sequential nature of peeling algorithms and is amenable to parallelization, which is crucial for processing high velocity data.

A three year LDRD was undertaken to look at the feasibility of using magnetic sensing to determine flows within sealed vessels at high temperatures and pressures. Uniqueness proofs were developed for tracking of single magnetic particles with multiple sensors. Experiments were shown to be able to track up to 3 dipole particles undergoing rigid-body rotational motion. Temperature was wirelessly monitored using magnetic particles in static and predictable motions. Finally high-speed vibrational motion was tracked using magnetic particles. Ideas for future work include using small particles for measuring vorticity and better calibration methods for tracking multiple particles.

The experimental breeder reactor (EBR-II) used fuel with a layer of sodium surrounding the uranium-zirconium fuel to improve heat transfer. Disposing of this EBR-II used fuel in a geologic repository without treatment is not prudent because of the potentially energetic reaction of the sodium with water. In 2000, the US Department of Energy decided to treat the EBR-II sodium-bonded used fuel in an electrorefiner (ER), which produces a metallic waste, mostly from the cladding. The salt remaining in the ER contains most of the actinides and fission products. Two baseline waste forms were proposed for disposal in a mined repository; the metallic waste, which was to be cast into ingots, and the ER salt waste, which was to be further treated to produce a ceramic waste form. However, alternative disposal pathways for metallic and salt waste streams are being investigated that may reduce the complexity. For example, performance assessments show that both mined repositories in salt and deep boreholes in basement crystalline rock can easily accommodate the ER salt waste without treating it to form a ceramic waste form. Hence the focus of a direct disposal option, as described herein, is now on the feasibility of packaging the ER salt waste in the near term such that it can be transported to a repository in the future without repackaging. A vessel for direct disposal of ER salt waste has been previously proposed, designed, and a prototype manufactured based on desirable features for use in the hot cell. The reported analysis focused on the feasibility of transporting this proposed vessel and whether any issues would suggest that a smaller or larger size is more appropriate. Specifically, three issues are addressed (1) shielding necessary to reduce doses to acceptable levels; (2) the criticality potential and the ease which it can be shown to be inconsequential, and (3) temperatures of the containers in relation to acceptable cask limits. The generally positive results demonstrate that direct disposal of ER in the proposed packaging is feasible without the need to secure funding to modify the facility.

This report is an outcome of the ASC ATDM Level 2 Milestone 6015: Asynchronous Many-Task Software Stack Demonstration. It comprises a summary and in depth analysis of DARMA and a DARMA-compliant Asynchronous Many-Task (AMT) runtime software stack. Herein performance and productivity of the over- all approach are assessed on benchmarks and proxy applications representative of the Sandia ATDM applications. As part of the effort to assess the perceived strengths and weaknesses of AMT models compared to more traditional methods, experiments were performed on ATS-1 (Advanced Technology Systems) test bed machines and Trinity. In addition to productivity and performance assessments, this report includes findings on the generality of DARMAs backend API as well as findings on interoperability with node- level and network-level system libraries. Together, this information provides a clear understanding of the strengths and limitations of the DARMA approach in the context of Sandias ATDM codes, to guide our future research and development in this area.

The quality of automatic detections from sensor networks depends on a large number of data processing parameters that interact in complex ways. The largely manual process of identifying effective parameters is painstaking and does not guarantee that the resulting controls are the optimal configuration settings, yet achieving superior automatic detection of events is closely related to these parameters. We present an automated sensor tuning (AST) system that tunes effective parameter settings for each sensor detector to the current state of the environment by leveraging cooperation within a neighborhood of sensors. After a stabilization period, the AST algorithm can adapt in near real-time to changing conditions and automatically self-tune a signal detector to identify (detect) only signals from events of interest. The overall goal is to reduce the number of missed legitimate event detections and the number of false event detections. Our current work focuses on reducing false signal detections early in the seismic signal processing pipeline, which leads to fewer false events and has a significant impact on reducing analyst time and effort. Applicable both for existing sensor performance boosting and new sensor deployment, this system provides an important new method to automatically tune complex remote sensing systems. Systems tuned in this way will achieve better performance than is currently possible by manual tuning, and with much less time and effort devoted to the tuning process. With ground truth on detections from a seismic sensor network monitoring the Mount Erebus Volcano in Antarctica, we show that AST increases the probability of detection while decreasing false alarms.

Razorback is a research reactor transient analysis computer code designed to simulate the operation of a research reactor (such as Sandia National Laboratories Annular Core Research Reactor (ACRR)). The code provides a coupled numerical solution of the point reactor kinetics equations, the energy conservation equation for fuel element heat transfer, the equation of motion for fuel element thermal expansion, and the mass, momentum, and energy conservation equations for the water cooling of the fuel elements. This input manual describes how an input file is composed, and facilitates an understanding of the various code input parameters. The makeup of the various code output files is also described. This manual also provides instructions for the installation and setup of the code, and how to report bugs and/or errors.

This report contains work completed by a group of student interns during the summer of 2017. Under the guidance of Ryan Coe, Aubrey Eckert-Gallup, and Nevin Martin, a series of interrelated projects were completed on topics relating to extreme response and survival analysis of wave energy converters (WECs). Jarred Canning studied long-term design response analysis methods for WECs. Sam Edwards studied how variation in the selection of an environmental contour affects the characterization of WEC response in extreme conditions. Sam also led the integration of various components of this report and overall editing. Tyler Esterly produced a catalog of analyses for different ocean sites. Bibiana Seng studied clustering analyses for comparing the wave environments of different ocean sites. Lori Smith performed a comparison between analyses conducted using spectral wave data and analyses using deterministic time-domain wave data. William ("Zach") Stuart studied the sensitivity and convergence of environmental contour methods.

This report describes a model of the displacement of one hydrogen isotope within a metal hydride tube by a different isotope in the gas phase that is blown through the tube. The model incorporates only the most basic parameters to make a clear connection to the theory of open-tube gas chromatography, and to provide a simple description of how the behavior of the system scales with controllable parameters such as gas velocity and tube radius. A single tube can be seen as a building block for more complex architectures that provide higher molar flow rates or other advanced design goals.

This simple Microgrid Design Toolkit ( MDT ) use case will provide you an example of a basic microgrid design. It will introduce basic principles of using the MDT islanded mode optimization by modifying a baseline microgrid design and performing an analysis of the results . Please reference the MDT User Guide (SAND201-9374) for detailed instructions on how to use the tool.

This simple Microgrid Design Toolkit (MDT) use case will provide you an example of performing microgrid sizing by identifying the types and quantities of technology to be purchased for use in a microgrid. It will introduce basic principles of using the MDT microgrid sizing capability by comparing the results of two microgrids in two different markets. Please reference the MDT User Guide (SAND2017-9374) for detailed instructions on how to use the tool.

This report presents multi-phase modeling approaches that are developed for simulating rubble fire scenarios similar to a large-scale rubble pool fire test at Sandia National Laboratories using composite materials and jet fuel. The rubble pool fire test burnt oddly shaped combustible solid objects submerged in liquid fuel. As an intermediate step toward a full scale rubble fire simulation, various model improvement tasks were performed. For modeling solid decomposition, a multi-step degradation model was used for canonical verification problems and the Chemical Percolation for Devolatilization (CPD) approach was implemented. Capabilities of Lagrangian particle approach has been extended such that a group of particles may represent a solid bulk. For gas-liquid interface, the volume of fluid (VOF) technique was implemented and relevant physics were added. The developed tools offer a potential for simulating three-phase (gas, liquid, and solid) combustion applications.

Our team has investigated a series of soluble coordination complexes for use as tags to monitor underground fluid flows in reservoirs. While most of the metal-ligand (M-L) complexes were based on the dianionic salen family of ligands, conceptually other ligands such as porphyrins or phthalocyanines could be used with similar success. Detection and identification of these species in solution were performed by inductively coupled plasma (ICP) or Raman/resonance Raman (rR) spectroscopy. The preparation of a large number of new M-L salen complexes was accomplished. Complexes were prepared that were soluble in either water or hydrocarbons to allow for flexibility in use. Unambiguous identification of these complexes allowed for meaningful molecular dynamics (MD) calculations to be performed, so that the attraction of the M-L complexes to either the rock formation or the liquid media could be evaluated. The use of soluble M-L species was found to avoid issues of rock deposition.

Imaging techniques for the analysis of porous structures have revolutionized our ability to quantitatively characterize geomaterials. Digital representations of rock from CT images and physics modeling based on these pore structures provide the opportunity to further advance our quantitative understanding of fluid flow, geomechanics, and geochemistry, and the emergence of coupled behaviors. Additive manufacturing, commonly known as 3D printing, has revolutionized production of custom parts with complex internal geometries. For the geosciences, recent advances in 3D printing technology may be co-opted to print reproducible porous structures derived from CT-imaging of actual rocks for experimental testing. The use of 3D printed microstructure allows us to surmount typical problems associated with sample-to-sample heterogeneity that plague rock physics testing and to test material response independent from pore-structure variability. Together, imaging, digital rocks and 3D printing potentially enables a new workflow for understanding coupled geophysical processes in a real, but well-defined setting circumventing typical issues associated with reproducibility, enabling full characterization and thus connection of physical phenomena to structure. Here we report on our research exploring the possibilities that these technologies can bring to geosciences for coupled multiscale experimental and numerical analysis using 3D printed fractured rock specimens.

Visual clutter metrics play an important role in both the design of information visualizations and in the continued theoretical development of visual search models. In visualization design, clutter metrics provide a mathematical prediction of the complexity of the display and the difficulty associated with locating and identifying key pieces of information. In visual search models, they offer a proxy to set size, which represents the number of objects in the search scene, but is difficult to estimate in real-world imagery. In this article, we first briefly review the literature on clutter metrics and then contribute our own results drawn from studies in two security-oriented visual search domains: airport X-ray imagery and radar imagery. We analyze our results with an eye toward bridging the gap between the scene features evaluated by current clutter metrics and the features that are relevant to our security tasks. The article concludes with a brief discussion of possible research steps to close this gap.

An experimental system we developed combines triaxial rock deformation and mass spectrometry to measure noble gas flow before, during, and after rock fracture. Geogenic noble gas is released during triaxial deformation (real time) and is related to volume strain and acoustic emissions. The noble gas release then represents a signal of deformation during its stages of development. Noble gases are contained in most crustal rock at inter and intra granular sites. Their release during natural and man-made stress and strain changes represents a signal of deformation in brittle and semi-brittle conditions. The noble gas composition depends on lithology, geologic history, age of the rock, and fluids present. Uranium, thorium and potassium-40 concentrations in the rocks also affect the production of radiogenic noble gases (4He, Ar). Noble gas emission and its relationship to crustal processes have been studied for many years in the geologic community including correlations to tectonic velocities and qualitative estimates of deep permeability from surface measurements, finger prints of nuclear weapon detonation, and as a potential precursory signal to earthquakes attributed to gas release due to pre-seismic stress, dilatancy and/or fracturing of the rock. Helium emission has been shown as a precursor of volcanic activity. We present empirical results/relationships of specimen strain, microstructural evolution, acoustic emissions, and noble gas release from laboratory triaxial experiments performed upon a granite and a young basalt, bedded salt, and a marine shale.

We report on the characterization of narrow-bandgap (Eg ≈ 0.4 eV, at 300 K) interband cascade thermophotovoltaic (TPV) devices with InAs/GaSb/AlSb type-II superlattice absorbers. Two device structures with different numbers of stages (two and three) were designed and grown to study the influence of the number of stages and absorber thicknesses on the device performance at high temperatures (300-340 K). Maximum power efficiencies of 9.6% and 6.5% with open-circuit voltages of 800 and 530 mV were achieved in the three- and two-stage devices at 300 K, respectively. These results validate the benefits of a multiple-stage architecture with thin individual absorbers for efficient conversion of infrared radiation into electricity from low-temperature heat sources. Additionally, we developed an effective characterization method, based on an adapted version of Suns-Voc technique, to extract the device series and shunt resistance in these TPV cells.

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We report on a theoretical and experimental study performed on AlAs/GaAs micropillar cavities containing InGaAs quantum dots as active medium. The devices have the interesting property of having almost all emission (spontaneous and stimulated) channelled into one cavity mode. They are excellent experimental platforms for studying laser physics because their emission behaviours question our understanding of lasing action. Analysis of spectrally-resolved photoluminescence and photon autocorrelation will be discussed and a physically definitive criterion for lasing applicable to all systems will be presented.

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