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Sandia National Laboratories, California proposed CREATE facility environmental baseline survey

Catechis, Christopher S.

Sandia National Laboratories, Environmental Programs completed an environmental baseline survey (EBS) of 12.6 acres located at Sandia National Laboratories/California (SNL/CA) in support of the proposed Collaboration in Research and Engineering for Advanced Technology and Education (CREATE) Facility. The survey area is comprised of several parcels of land within SNL/CA, County of Alameda, California. The survey area is located within T 3S, R 2E, Section 13. The purpose of this EBS is to document the nature, magnitude, and extent of any environmental contamination of the property; identify potential environmental contamination liabilities associated with the property; develop sufficient information to assess the health and safety risks; and ensure adequate protection for human health and the environment related to a specific property.

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TYPE SAND Report YEAR 2013
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The oxidation of aluminum at high temperature studied by Thermogravimetric Analysis and Differential Scanning Calorimetry

Coker, Eric N.

The oxidation in air of high-purity Al foil was studied as a function of temperature using Thermogravimetric Analysis with Differential Scanning Calorimetry (TGA/DSC). The rate and/or extent of oxidation was found to be a non-linear function of the temperature. Between 650 and 750 ÀC very little oxidation took place; at 850 ÀC oxidation occurred after an induction period, while at 950 ÀC oxidation occurred without an induction period. At oxidation temperatures between 1050 and 1150 ÀC rapid passivation of the surface of the aluminum foil occurred, while at 1250 ÀC and above, an initial rapid mass increase was observed, followed by a more gradual increase in mass. The initial rapid increase was accompanied by a significant exotherm. Cross-sections of oxidized specimens were characterized by scanning electron microscopy (SEM); the observed alumina skin thicknesses correlated qualitatively with the observed mass increases.

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TYPE SAND Report YEAR 2013
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Thermochemical plots using JCZS2i piece-wise curve fits

Miller, David L.; Schoof, Justin C.; Hobbs, Michael L.

This report presents plots of specific heat, enthalpy, entropy, and Gibbs free energy for 1439 species in the JCZS2i database. Included in this set of species are 496 condensed-phase species and 943 gas-phase species. The gas phase species contain 80 anions and 112 cations for a total of 192 ions. The JCZS2i database is used in conjunction with the TIGER thermochemical code to predict thermodynamic states from ambient conditions to high temperatures and pressures. Predictions from the TIGER code using the JCZS2i database can be used in shock physics codes where temperatures may be as high as 20,000 K and ions may be present. Such high temperatures were not considered in the original JCZS database, and extrapolations made for these temperatures were unrealistic. For example, specific heat would sometimes go negative at high temperatures which fails the definition of specific heat. The JCZS2i database is a new version of the JCZS database that is being created to address these inaccuracies. The purpose of the current report is to visualize the high temperature extrapolations to insure that the specific heat, enthalpy, entropy, and Gibbs free energy predictions are reasonable up to 20,000 K.

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TYPE SAND Report YEAR 2013
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Reconstruction of a high-resolution late holocene arctic paleoclimate record from Colville River delta sediments

Lowry, Thomas S.

This work was partially supported by the Sandia National Laboratories, Laboratory Directed Research and Development (LDRD) fellowship program in conjunction with Texas A&M University (TAMU). The research described herein is the work of Kathryn M. Schreiner (Katie) and her advisor, Thomas S. Bianchi and represents a concise description of Katies dissertation that was submitted to the TAMU Office of Graduate Studies in May 2013 in partial fulfillment of her doctorate of philosophy degree. High Arctic permafrost soils contain a massive amount of organic carbon, accounting for twice as much carbon as what is currently stored as carbon dioxide in the atmosphere. However, with current warming trends this sink is in danger of thawing and potentially releasing large amounts of carbon as both carbon dioxide and methane into the atmosphere. It is difficult to make predictions about the future of this sink without knowing how it has reacted to past temperature and climate changes. This project investigated long term, fine scale particulate organic carbon (POC) delivery by the high-Arctic Colville River into Simpsons Lagoon in the near-shore Beaufort Sea. Modern POC was determined to be a mixture of three sources (riverine soils, coastal erosion, and marine). Downcore POC measurements were performed in a core close to the Colville River output and a core close to intense coastal erosion. Inputs of the three major sources were found to vary throughout the last two millennia, and in the Colville River core covary significantly with Alaskan temperature reconstructions.

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TYPE SAND Report YEAR 2013
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Empirical and physics based mathematical models of uranium hydride decomposition kinetics with quantified uncertainties

Salloum, Maher; Gharagozloo, Patricia E.

Metal particle beds have recently become a major technique for hydrogen storage. In order to extract hydrogen from such beds, it is crucial to understand the decomposition kinetics of the metal hydride. We are interested in obtaining a a better understanding of the uranium hydride (UH3) decomposition kinetics. We first developed an empirical model by fitting data compiled from different experimental studies in the literature and quantified the uncertainty resulting from the scattered data. We found that the decomposition time range predicted by the obtained kinetics was in a good agreement with published experimental results. Secondly, we developed a physics based mathematical model to simulate the rate of hydrogen diffusion in a hydride particle during the decomposition. We used this model to simulate the decomposition of the particles for temperatures ranging from 300K to 1000K while propagating parametric uncertainty and evaluated the kinetics from the results. We compared the kinetics parameters derived from the empirical and physics based models and found that the uncertainty in the kinetics predicted by the physics based model covers the scattered experimental data. Finally, we used the physics-based kinetics parameters to simulate the effects of boundary resistances and powder morphological changes during decomposition in a continuum level model. We found that the species change within the bed occurring during the decomposition accelerates the hydrogen flow by increasing the bed permeability, while the pressure buildup and the thermal barrier forming at the wall significantly impede the hydrogen extraction.

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TYPE SAND Report YEAR 2013
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Timing is everything :

Kobos, Peter; La Jenkins, Tonya N.; Malczynski, Leonard A.

People save for retirement throughout their career because it is virtually impossible to save all youll need in retirement the year before you retire. Similarly, without installing incremental amounts of clean fossil, renewable or transformative energy technologies throughout the coming decades, a radical and immediate change will be near impossible the year before a policy goal is set to be in place. Therefore, our research question is, To meet our desired technical and policy goals, what are the factors that affect the rate we must install technology to achieve these goals in the coming decades? Existing models do not include full regulatory constraints due to their often complex, and inflexible approaches to solve for optimal engineering instead of robust and multidisciplinary solutions. This project outlines the theory and then develops an applied software tool to model the laboratory-to-market transition using the traditional technology readiness level (TRL) framework, but develops subsequent and a novel regulatory readiness level (RRL) and market readiness level (MRL). This tool uses the ideally-suited system dynamics framework to incorporate feedbacks and time delays. Future energy-economic-environment models, regardless of their programming platform, may adapt this software model component framework or module to further vet the likelihood of new or innovative technology moving through the laboratory, regulatory and market space. The prototype analytical framework and tool, called the Technology, Regulatory and Market Readiness Level simulation model (TRMsim) illustrates the interaction between technology research, application, policy and market dynamics as they relate to a new or innovative technology moving from the theoretical stage to full market deployment. The initial results that illustrate the models capabilities indicate for a hypothetical technology, that increasing the key driver behind each of the TRL, RRL and MRL components individually decreases the time required for the technology to progress through each component by 63, 68 and 64%, respectively. Therefore, under the current working assumptions, to decrease the time it may take for a technology to move from the conceptual stage to full scale market adoption one might consider expending additional effort to secure regulatory approval and reducing the uncertainty of the technologys demand in the marketplace.

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TYPE SAND Report YEAR 2013
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Defect reaction network in Si-doped InP : numerical predictions

Schultz, Peter A.

This Report characterizes the defects in the defect reaction network in silicon-doped, n-type InP deduced from first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si-doped InP until culminating in immobile reaction products. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon-related defects in the reaction network. This Report serves to extend the results for intrinsic defects in SAND 2012-3313: %E2%80%9CSimple intrinsic defects in InP: Numerical predictions%E2%80%9D to include Si-containing simple defects likely to be present in a radiation-induced defect reaction sequence.

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TYPE SAND Report YEAR 2013
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Effect of DC voltage pulses on memristor behavior

Evans, Brian R.

Current knowledge of memristor behavior is limited to a few physical models of which little comprehensive data collection has taken place. The purpose of this research is to collect data in search of exploitable memristor behavior by designing and implementing tests on a HP Labs Rev2 Memristor Test Board. The results are then graphed in their optimal format for conceptualizing behavioral patterns. This series of experiments has concluded the existence of an additional memristor state affecting the behavior of memristors when pulsed with positively polarized DC voltages. This effect has been observed across multiple memristors and data sets. The following pages outline the process that led to the hypothetical existence and eventual proof of this additional state of memristor behavior.

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TYPE SAND Report YEAR 2013
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Analysis of Alternatives for Risk Assessment Methodologies and Tools

Nachtigal, Noel M.; Fruetel, Julia A.; Gleason, Nathaniel J.; Helms, Jovana; Imbro, Dennis R.; Sumner, Matthew

The purpose of this document is to provide a basic overview and understanding of risk assessment methodologies and tools from the literature and to assess the suitability of these methodologies and tools for cyber risk assessment. Sandia National Laboratories (SNL) performed this review in support of risk modeling activities performed for the Stakeholder Engagement and Cyber Infrastructure Resilience (SECIR) division of the Department of Homeland Security (DHS) Office of Cybersecurity and Communications (CS&C). The set of methodologies and tools covered in this document is not intended to be exhaustive; instead, it focuses on those that are commonly used in the risk assessment community. The classification of methodologies and tools was performed by a group of analysts with experience in risk analysis and cybersecurity, and the resulting analysis of alternatives has been tailored to address the needs of a cyber risk assessment.

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Towards understanding of Nipah virus attachment protein assembly and the role of protein affinity and crowding for membrane curvature events

Hayden, Carl C.; Negrete, Oscar; Davis, Ryan W.

Pathogenic viruses are a primary threat to our national security and to the health and economy of our world. Effective defense strategies to combat viral infection and spread require the development of understanding of the mechanisms that these pathogens use to invade the host cell. We present in this report results of our research into viral particle recognition and fusion to cell membranes and the role that protein affinity and confinement in lipid domains plays in membrane curvature in cellular fusion and fission events. Herein, we describe 1) the assembly of the G attachment protein of Nipah virus using point mutation studies to define its role in viral particle fusion to the cell membrane, 2) how lateral pressure of membrane bound proteins induce curvature in model membrane systems, and 3) the role of membrane curvature in the selective partitioning of molecular receptors and specific affinity of associated proteins.

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TYPE SAND Report YEAR 2013
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Test report : Raytheon / KTech RK30 Energy Storage System

Rosewater, David

The Department of Energy Office of Electricity (DOE/OE), Sandia National Laboratories (SNL) and the Base Camp Integration Lab (BCIL) partnered together to incorporate an energy storage system into a microgrid configured Forward Operating Base to reduce the fossil fuel consumption and to ultimately save lives. Energy storage vendors will be sending their systems to SNL Energy Storage Test Pad (ESTP) for functional testing and then to the BCIL for performance evaluation. The technologies that will be tested are electro-chemical energy storage systems comprising of lead acid, lithium-ion or zinc-bromide. Raytheon/KTech has developed an energy storage system that utilizes zinc-bromide flow batteries to save fuel on a military microgrid. This report contains the testing results and some limited analysis of performance of the Raytheon/KTech Zinc-Bromide Energy Storage System.

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TYPE SAND Report YEAR 2013
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Potential use of battery packs from NCAP tested vehicles

Lamb, Joshua; Orendorff, Christopher

Several large electric vehicle batteries available to the National Highway Traffic Safety Administration are candidates for use in future safety testing programs. The batteries, from vehicles subjected to NCAP crashworthiness testing, are considered potentially damaged due to the nature of testing their associated vehicles have been subjected to. Criteria for safe shipping to Sandia is discussed, as well as condition the batteries must be in to perform testing work. Also discussed are potential tests that could be performed under a variety of conditions. The ultimate value of potential testing performed on these cells will rest on the level of access available to the battery pack, i.e. external access only, access to the on board monitoring system/CAN port or internal electrical access to the battery. Greater access to the battery than external visual and temperature monitoring would likely require input from the battery manufacturer.

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Simulation information regarding Sandia National Laboratories trinity capability improvement metric

Agelastos, Anthony M.; Lin, Paul T.

Sandia National Laboratories, Los Alamos National Laboratory, and Lawrence Livermore National Laboratory each selected a representative simulation code to be used as a performance benchmark for the Trinity Capability Improvement Metric. Sandia selected SIERRA Low Mach Module: Nalu, which is a uid dynamics code that solves many variable-density, acoustically incompressible problems of interest spanning from laminar to turbulent ow regimes, since it is fairly representative of implicit codes that have been developed under ASC. The simulations for this metric were performed on the Cielo Cray XE6 platform during dedicated application time and the chosen case utilized 131,072 Cielo cores to perform a canonical turbulent open jet simulation within an approximately 9-billion-elementunstructured- hexahedral computational mesh. This report will document some of the results from these simulations as well as provide instructions to perform these simulations for comparison.

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TYPE SAND Report YEAR 2013
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HPCG Benchmark Technical Specification

Heroux, Michael A.

The High Performance Conjugate Gradient (HPCG) benchmark [cite SNL, UTK reports] is a tool for ranking computer systems based on a simple additive Schwarz, symmetric Gauss-Seidel preconditioned conjugate gradient solver. HPCG is similar to the High Performance Linpack (HPL), or Top 500, benchmark [1] in its purpose, but HPCG is intended to better represent how today’s applications perform. In this paper we describe the technical details of HPCG: how it is designed and implemented, what code transformations are permitted and how to interpret and report results.

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Contingency contractor optimization

Gearhart, Jared L.; Adair, Kristin L.; Jones, Katherine A.; Bandlow, Alisa; Detry, Richard J.; Durfee, Justin D.; Jones, Dean A.; Martin, Nathaniel; Nanco, Alan

The goal of Phase 3 the OSD ATL Contingency Contractor Optimization (CCO) project is to create an engineering prototype of a tool for the contingency contractor element of total force planning during the Support for Strategic Analysis (SSA). An optimization model was developed to determine the optimal mix of military, Department of Defense (DoD) civilians, and contractors that accomplishes a set of user defined mission requirements at the lowest possible cost while honoring resource limitations and manpower use rules. An additional feature allows the model to understand the variability of the Total Force Mix when there is uncertainty in mission requirements.

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TYPE SAND Report YEAR 2013
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Development of ab initio techniques critical for future science-based explosives R&D

Wixom, Ryan R.; Wills, Ann E.

Density Functional Theory (DFT) has emerged as an indispensable tool in materials research, since it can accurately predict properties of a wide variety of materials at both equilibrium and extreme conditions. However, for organic molecular crystal explosives, successful application of DFT has largely failed due to the inability of current exchange-correlation functionals to correctly describe intermolecular van der Waals (vdWs) forces. Despite this, we have discovered that even with no treatment of vdWs bonding, the AM05 functional and DFT based molecular dynamics (MD) could be used to study the properties of molecular crystals under compression. We have used DFT-MD to predict the unreacted Hugoniots for PETN and HNS and validated the results by comparison with crystalline and porous experimental data. Since we are also interested in applying DFT methods to study the equilibrium volume properties of explosives, we studied the nature of the vdWs bonding in pursuit of creating a new DFT functional capable of accurately describing equilibrium bonding of molecular crystals. In this report we discuss our results for computing shock Hugoniots of molecular crystals and also what was learned about the nature of bonding in these materials.

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Results 57201–57400 of 100,993
Results 57201–57400 of 100,993
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