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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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JAQAL Exemplars Highlight Slide
Simulated previous quantum chemistry experiments using JAQAL (Just Another Quantum Assembly Language), matching expected results. Lays the groundwork for QSCOUT (Quantum Scientific Computing Open User Testbed) users to conduct their own quantum experiments, and tests the capabilities of the JAQAL language.
Optimized Performance and Cost Potential for Exemplar Indirect SCO 2 Coal Plants
This NETL report presents the techno-economic analysis (TEA) optimization results of coal-fired utility-scale power plants based on the indirect supercritical carbon dioxide (sCO 2 ) power cycles both with and without carbon capture and storage (CCS). For the plants without CCS, the heat source is an air-fired circulating fluidized bed (CFB). For plants with CCS, the heat source is an oxy-fired CFB. Four power cycle configurations were examined for this study: recompression cycle (RC) without and with reheat turbine (“RC without reheat” and “RC with reheat”), and partial cooling cycle (PCC) without and with reheat turbine (“PCC without reheat” and “PCC with reheat”).
Performance and Cost Potential for Exemplar Direct Supercritical Carbon Dioxide Natural Gas Plants
This report presents the techno-economic analysis (TEA) optimization results of natural gas-fired utility-scale power plants based on the direct supercritical carbon dioxide (sCO 2 ) power cycle. To identify optimum plant configuration, the study also considered three different cases (Case A, Case B, Case C) with varying levels of thermal integration with the plant air separation unit (ASU). A fourth case (Case D), which is based on a patent from 8 Rivers, was also considered and includes thermal integration with the ASU as well as compressed recycle carbon dioxide (CO 2 ) gas. The four direct sCO 2 power plants offered similar or slightly higher plant efficiencies than the reference NGCC plants based on an F-class gas turbine with carbon capture and storage (CCS). LCOE of the direct sCO 2 plants is 13.5–17.2 percent higher than the reference NGCC plants with CCS due to higher capital costs associated with the ASU and sCO 2 power block. Recuperators make up over 50 percent of the power cycle costs. Consequently, any research and development (R&D) efforts to reduce the recuperator capital costs will be beneficial for the technology commercialization. The study also investigated the impact of co-firing landfill gas (LFG) and natural gas on plant efficiency, LCOE, and CO 2 emissions. Increasing the LFG co-firing from 0 percent to 50 percent (mass basis), decreased the plant efficiency by 0.3 percentage points and increased the LCOE by 3 percent. Due to high inherent CO 2 capture rates, direct sCO 2 plants have strong potential to achieve net-zero CO 2 emissions with LFG and natural gas co-firing.
Deep Deception: Exemplars of Adversarial Machine Learning and Countermeasures Applicable to International Safeguards
As a follow-up to our more comprehensive report on Adversarial Machine Learning (AML), here we provide demonstrations of AML attacks against the Limbo image database of UF6 cylinders in a variety of orientations and amongst a variety of distractor images. We demonstrate the Carlini & Wagner AML attack against a subset of Limbo images, with 100% attack success rate; meaning all attacked images were misclassified by a highly accurate trained model, yet the image changes were imperceptible to the human eye. We also demonstrate successful attacks against segmented images (images with more than one targeted object). Finally, we demonstrated the Fast Fourier Transform countermeasure that can be used to detect AML attacks on images. The intent of this and our previous report is to inform the IAEA and stakeholders of both the promise of machine learning, which could greatly improve the efficiency of surveillance monitoring, but also of the real threat of AML and potential defenses.
Coffee Chat: A Unifying Exemplar of Systems Engineering leveraging Vitech GENESYS and MathWorks Simulink interoperability
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Compositing and Characterization of SE Quadrant Waste Exemplars
This report outlines the experimental investigation and characterization of transport properties in Hanford SE quadrant High-Level Waste (HLW). The goal of the study was to establish baseline behaviors of bulk composite rheology and settling characteristics to facilitate waste treatment process design for the Waste Treatment and Immobilization Plant (WTP) and avoid waste conditions and properties favorable to bubble cascade gas release events. The study focused on two major objectives: 1) identifying, obtaining, and preparing relevant Hanford tank waste samples for evaluation and 2) quantifying the “as-received” rheology and transport properties of the samples. Twenty-three centrifuged core segments originating from tanks AN-101, AN-106, and AW-105 were selected based on compositional relevance to SE quadrant PUREX cladding waste. These materials were composited into five waste composites enriched with target analytes: aluminum (Al), iron (Fe), phosphate (PO 4 ), uranium (U), and zirconium (Zr). Physical property and transport testing examined particle size distributions, bulk densities, settling behaviors, rheological properties, shear strengths, and just-suspended mixing speeds (NJS). Testing revealed two distinct composite classifications based on rheological characteristics: non-Newtonian composites (Fe and PO 4 ) and Newtonian composites (Al, U, and Zr). The Fe and PO 4 composites exhibited slow settling rates and reduced mobilization proclivity, attributable to strong particle-particle interactions and the formation of yield structures within non-Newtonian slurries. In contrast, the Al, U, and Zr composites displayed rapid settling and dense compaction behaviors, indicative of minimal structuring and interactions. Shear strengths for all composites were generally low relative to prior studies of SE quadrant waste, with only the U composite showing elevated strength approaching values reported in previous literature. Repeat shear strength measurements revealed contributions from dense granular material in the U composite and stronger cohesive properties in the Al composite. Settling data highlighted hindered settling behavior, with rates falling more than one order of magnitude below estimates based on Stokes’ law and rate decreasing as composite UDS content increased. NJS testing demonstrated different mobilization behaviors between cohesive and granular composites. The Fe composite required the highest mixing rate for resuspension, while the Al composite was the easiest to resuspend. Comparison of measured NJS against predictions made using the Zwietering correlation suggests non-Newtonian behavior alters resuspension mechanics, rendering non-Newtonian systems more stable against resuspension lift forces relative to their granular counterparts.
Algorithm to Generate Synthetic 3D Microstructures from 2D Exemplars
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Georgetown University Photovoltaic Higher Education National Exemplar Facility (PHENEF)
Several photographs of this facility using photovoltaic (PV) cells are shown. An outline is given of the systems requirements, system design and wiring topology, a simplified block design, module electrical characteristics, PV module and PV module matching.
The Matpar Server on the HP Exemplar
This presentation reviews the design of Matlab for parallel processing on a parallel system. Matlab was found to be too slow on many large problems, and with the Next Generation Space Telescope requiring greater capability, the work was begun in early 1996 on parallel extensions to Matlab, called Matpar. This presentation reviews the architecture, the functionality, and the design of MatPar. The design utilizes a client server strategy, with the client code written in C, and the object-oriented server code written in C++. The client/server approach for Matpar provides ease of use an good speed.
Buto Facula, Ganymede: Palimpsest Exemplar
The Galilean satellites with icy surfaces (Europa, Ganymede, Callisto) are host, among other things, to a variety of large impact features that are, if not unique to these bodies, rarely encountered on planetary and satellite surfaces in the Solar System. These features include impact basins with central pits, domed floors, and so-called "pene-palimpsests" and "palimpsests". The authors have conducted a multidisciplinary approach to study how these features formed. It is likely that the particular combination of geophysical factors and impactor characteristics that is shared by these satellites is responsible for these features. One component of this study has been to derive the topography of a number of these features, and then use these Digital Terrain Models (DTM) as a fundamental tool in producing facies maps of a range of these features for which adequate data exist. Here we present the analysis of Buto Facula, Ganymede.
Material Model Exemplars - Sandia National Laboratories.
Abstract not provided.
Selecting Exemplars From Document Collections
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Measuring success for a future vision: Defining impact in science gateways/virtual research environments
Scholars worldwide leverage science gateways/virtual research environments (VREs) for a wide variety of research and education endeavors spanning diverse scientific fields. Evaluating the value of a given science gateway/VRE to its constituent community is critical in obtaining the financial and human resources necessary to sustain operations and increase adoption in the user community. In this article, we feature a variety of exemplar science gateways/VREs and detail how they define impact in terms of, for example, their purpose, operation principles, and size of user base. Further, the exemplars recognize that their science gateways/VREs will continuously evolve with technological advancements and standards in cloud computing platforms, web service architectures, data management tools and cybersecurity. We also present a number of technology advances that could be incorporated in next-generation science gateways/VREs to enhance their scope and scale of their operations for greater success/impact. The exemplars are selected from owners of science gateways in the Science Gateways Community Institute (SGCI) clientele in the United States, and from the owners of VREs in the International Virtual Research Environment Interest Group (VRE-IG) of the Research Data Alliance. Thus, community-driven best practices and technology advances are compiled from diverse expert groups with an international perspective to envisage futuristic science gateway/VRE innovations.
Sensitivity and Uncertainty Workflow of Full System SIERRA Models Supporting High Consequence Applications
Credibility of end-to-end CompSim (Computational Simulation) models and their agile execution requires an expressive framework to describe, communicate and execute complex computational tool chains representing the model. All stakeholders from system engineering and customers through model developers and V&V partners need views and functionalities of the workflow representing the model in a manner that is natural to their discipline. In the milestone and in this report we define workflow as a network of computation simulation activities executed autonomously on a distributed set of computational platforms. The FY19 ASC L2 Milestone (6802) for the Integrated Workflow (IWF) project was designed to integrate and improve existing capabilities or develop new functionalities to provide a wide range of stakeholders a coherent and intuitive platform capable of defining and executing CompSim modeling from analysis workflow definition to complex ensemble calculations. The main goal of the milestone was to advance the integrated workflow capabilities to support the weapon system analysts with a production deployment in FY20. Ensemble calculations supporting program decisions include sensitivity analysis, optimization and uncertainty quantification. The goal of the L2 milestone aligned with the ultimate goal of the IWF project is to foster cultural and technical shift toward and integrated CompSim capability based on automated workflows. Specific deliverables were defined in five broad categories: 1) Infrastructure, including development of distributed-computing workflow capability, 2) integration of Dakota (Sandia's sensitivity, optimization and UQ engine) with SAW (Sandia Analysis Workbench), 3) ARG (Automatic Report Generator introspecting analysis artifacts and generating human-readable extensible and archivable reports), 4) Libraries and Repositories aiding capability reuse, and 5) Exemplars to support training, capturing best practices and stress testing of the platform. A set of exemplars was defined to represent typical weapon system qualification CompSim projects. Analyzing the required capabilities and using the findings to plan implementation of required capabilities ensured optimal allocation of development resources focused on production deployment after the L2 is completed. It was recognized early that the end-to-end modeling applications pose a considerable number of diverse risks, and a formal risk tracking process was implemented. The project leveraged products, capabilities and development tasks of IWF partners. SAW, Dakota, Cubit, Sierra, Slycat, and NGA (NexGen Analytics, a small business) contributed to the integrated platform developed during this milestone effort. New products delivered include: a) NGW (Next Generation Workflow) for robust workflow definition and execution, b) Dakota wizards, editor and results visualization, and c) the automatic report generator ARG. User engagement was initiated early in the development process eliciting concrete requirements and actionable feedback to assure that the integrated CompSim capability will have high user acceptance and impact. The current integrated capabilities have been demonstrated and are continually being tested by a set of exemplars ranging from training scenarios to computationally demanding uncertainty analyses. The integrated workflow platform has been deployed on both SRN (Sandia Restricted Network) and SCN (Sandia Classified Network). Computational platforms where the system has been demonstrated span from Windows (Creo the CAD platform chosen by Sandia) to Trinity HPC (Sierra and CTH solvers). Follow up work will focus on deployment at SNL and other sites in the nuclear enterprise (LLNL, KCNSC), training and consulting support to democratize the analysis agility, process health and knowledge management benefits the NGW platform provides.
Achieving Higher Fidelity Pulsed-Power Simulations Using Advanced Gap Closure Modeling
This project has progressed several physics models in the EMPIRE plasma simulation code to achieve higher fidelity simulations of high-current diode operation in pulsed-power accelerators. In this report, we present details for the following major work products: (1) a set of verification problems covering all key processes involved in gap closure physics has been designed; this suite has facilitated feature vetting and overall model maturation, (2) a new EMPIRE exemplar has been developed: the Radiographic Integrated Test Stand 6 (RITS-6) diode, and (3) An exemplar for the Saturn accelerator exemplar was enabled by the models matured under this work to self-consistently simulate further into the diode pulse than previously possible (bipolar flow regime). These developments have lead to the highest confidence EMPIRE power flow predictions of the Saturn accelerator to date. Additionally, three modeling approaches for simulating electrode plasmas have been investigated. We report on these results and provide recommendations.
Understanding Geometry and Microstructure Interactions In LPBF By Linking Lab Scale Studies To Real Part Case Examples
The mechanical properties derived from simple tensile tests are uniquely important in the design and qualification of load bearing metallic components. The tensile properties in standards for wrought metallic materials are generally accessible for design and simulation engineers, but this is not the case for additively manufactured metals. This work investigates the influence of tensile specimen geometry on the mechanical properties of laser powder bed fusion (LPBF) additively manufactured Ti-6Al-4V, particularly in relation to properties measured from specimens excised from an exemplar part. A comprehensive analysis was conducted across various specimen geometries, considering factors such as thermal history, cross-sectional area, shape, and surface roughness. Key findings reveal that sample size, particularly cross-sectional area, significantly affects reported tensile properties, with ASTM E8 flat and round specimens exhibiting differences in elastic modulus (13%), yield strength (17%), ultimate tensile strength (UTS) (14%), and elongation to failure (11%). Additionally, surface roughness was found to have a limited impact on ASTM round geometries, but it becomes critical in thin-walled and small high-throughput samples. The ASTM flat samples closely matched the properties of samples excised from the exemplar part, underscoring the necessity of testing witness samples that accurately represent end-use conditions. Furthermore, mechanical properties of samples built within the stitch zone of the exemplar part demonstrated reduced ductility, highlighting the importance of laser alignment and qualification in multi-laser additive manufacturing processes. Overall, this study emphasizes the need for careful consideration of specimen geometry and testing conditions to ensure accurate reporting of mechanical properties in LPBF Ti-6Al-4V.