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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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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A tensor density measure of topological charge in three dimensional nematic phases

A path independent measure in order parameter space is introduced such that, when integrated along any closed contour in a three dimensional nematic phase, it yields the topological charge of any line defects encircled by the contour. A related measure, when integrated over either closed or open surfaces, reduces to known results for the charge associated with point defects (hedgehogs) or Skyrmions. We further define a tensor density, the disclination density tensor D, from which the location of a disclination line can be determined. This tensor density has a dyadic decomposition near the line into its tangent and its rotation vector, allowing a convenient determination of both. The tensor D may be nonzero in special configurations in which there are no defects (double-splay or double-twist configurations), and its behavior there is provided. The special cases of Skyrmions and hedgehog defects are also examined, including the computation of their topological charge from D.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermodynamic Consistent Neural Networks for Learning Material Interfacial Mechanics

For multilayer materials in thin substrate systems, interfacial failure is one of the most challenges. The traction-separation relations (TSR) quantitatively describe the mechanical behavior of a material interface undergoing openings, which is critical to understand and predict interfacial failures under complex loadings. However, existing theoretical models have limitations on enough complexity and flexibility to well learn the real-world TSR from experimental observations. A neural network can fit well along with the loading paths but often fails to obey the laws of physics, due to a lack of experimental data and understanding of the hidden physical mechanism. In this paper, we propose a thermodynamic consistent neural network (TCNN) approach to build a data-driven model of the TSR with sparse experimental data. The TCNN leverages recent advances in physics-informed neural networks (PINN) that encode prior physical information into the loss function and efficiently train the neural networks using automatic differentiation. We investigate three thermodynamic consistent principles, i.e., positive energy dissipation, steepest energy dissipation gradient, and energy conservative loading path. All of them are mathematically formulated and embedded into a neural network model with a novel defined loss function. A real-world experiment demonstrates the superior performance of TCNN, and we find that TCNN provides an accurate prediction of the whole TSR surface and significantly reduces the violated prediction against the laws of physics.

Zhang, Jiaxin↗
DOE OSTI2026

Lessons Learned from Open-Source Software Training Toward Expanding the Fusion Workforce

Within the United States (U.S.), the Fusion Innovation Research Engine (FIRE) Collaboratives seek to accelerate fusion technology development through wide-ranging community-driven research activities that bring together industry, laboratories, research institutes, and academia. Increasing the maturity of key components and systems for future fusion power plants (FPPs) toward commercialization, will, by necessity, increase the need for knowledgeable engineers, designers, and researchers in industry capable of integrating and further improving these technologies within industry FPP concepts. Further, various modeling and simulation packages support these programs and are under-development within them to drive design iteration and the development of FPP digital twins. To derive the greatest benefit from model output and capabilities, training these same specialists will be vital. Thus, the development of effective and accessible software onboarding and professional development opportunities focused on fusion will be key to keeping the pace of growth high in the coming decade and beyond. A similar need exists within the advanced fission reactor community, driven by an ever-growing need for carbon-free baseload power for industrial and data center applications. Within the U.S. and around the world, several open-source packages and frameworks exist to support this endeavor, and two we will highlight here are the Multiphysics Object Oriented Simulation Environment (MOOSE) framework and OpenMC. These packages, notably, are also being utilized in the FIRE Collaboratives program. In this presentation, we will highlight the lessons learned from over 30 years of combined software development and training experience, focused on developing strong technical software foundations within the nuclear workforce, from students to professional engineers & scientists. We will connect this experience to present and emerging needs in the fusion energy community, and, finally, will outline possible paths forward to develop a large, robust, global fusion workforce.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A tensor density measure of topological charge in three dimensional nematic phases

A path-independent measure in order parameter space is introduced such that, when integrated along any closed contour in a three-dimensional nematic phase, it yields the topological charge of any line defects encircled by the contour. A related measure, when integrated over either closed or open surfaces, reduces to known results for the charge associated with point defects (hedgehogs) or Skyrmions. We further define a tensor density, the disclination density tensor D, from which the location of a disclination line can be determined. This tensor density has a dyadic decomposition near the line into its tangent and its rotation vector, allowing a convenient determination of both. The tensor D may be non-zero in special configurations in which there are no defects (double-splay or double-twist configurations), and its behaviour there is provided. The special cases of Skyrmions and hedgehog defects are also examined, including the computation of their topological charge from D.

36 MATERIALS SCIENCE↗
DOE OSTI2022

SoK: A Framework for and Analysis of Software Bill of Materials Tools

Modern software development has gradually become more complex, leveraging available open-source software and third party components. This practice has raised questions about the provenance, licensing, versioning and compliance of reused code and its dependencies. Furthermore, it is par ticularly important to review such code fragments and third party components for known-vulnerabilities before they are included in a software product. A Software Bill of Materials (SBoM) is a mechanism to achieve such an analysis, provid ing transparency and visibility into a software product to both the software developer and its respective consumer. An SBoM lists information and details about all the elements constituting a piece of software and can, therefore, be used to evaluate associated security risk. While the concept of SBoMs is growing in popularity, it is still fairly new to many organizations, causing them to potentially struggle with pro ducing and processing SBoMs and limiting their widespread adoption. In this work, we delve into the area of SBoMs and present the state-of-the-art SBoM tools, creating a framework for analysis and categorizing them based on a diverse set of features and functionalities. We are the first to provide a detailed analysis of 83 open-source SBoM tools along with a perspective on how a potential SBoM user can select a tool based on their specific requirements. Our work aims to help promote understanding of this domain, thereby encouraging and furthering its overall adoption. We additionally seek to pave a path for future work in this area by providing recommendations to tool developers and users, researchers, and standardizing organizations.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Path to Increasing p-B11 Reactivity via ps and ns Lasers

The Lawson criterion for proton-boron (p-11B) thermonuclear fusion is substantially higher than that for deuterium-tritium (DT) because the fusion cross section is lower and peaks at higher ion energies. The Maxwellian averaged p-11B reactivity peaks at several hundred keV, where bremsstrahlung radiation emission may dominate over fusion reactions if electrons and ions are in thermal equilibrium and the losses are unrestricted. Nonequilibrium burn has often been suggested to realize the benefits of this aneutronic reaction, but the predominance of elastic scattering over fusion reactivity makes this difficult to achieve. The development of ultrashort pulse lasers (USPL) has opened new possibilities for initiating nonequilibrium thermonuclear burns and significant numbers of p-11B alpha particles have been reported from several experiments. We present an analysis that shows that these significant alpha yields are the result of beam fusion reactions that do not scale to net energy gain. We further find that the yields can be explained by experimental parameters and recently updated cross sections such that a postulated avalanche mechanism is not required. We use this analysis to understand the underlying physics of USPL-driven nonequilibrium fusion reactions and whether they can be used to initiate fusion burns. We conclude by outlining a path to increasing the p-11B reactivity towards the goal of achieving ignition and describing the design principles that we will use to develop a computational point design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Solar photovoltaics is ready to power a sustainable future

Thanks to fast learning and sustained growth, solar photovoltaics (PV) is today a highly cost-competitive technology, ready to contribute substantially to CO 2 emissions mitigation. However, many scenarios assessing global decarbonization pathways, either based on integrated assessment models or partial-equilibrium models, fail to identify the key role that this technology could play, including far lower future PV capacity than that projected by the PV community. In this perspective, we review the factors that lie behind the historical cost reductions of solar PV and identify innovations in the pipeline that could contribute to maintaining a high learning rate. We also aim at opening a constructive discussion among PV experts, modelers, and policymakers regarding how to improve the representation of this technology in the models and how to ensure that manufacturing and installation of solar PV- can ramp up on time, which will be crucial to remain in a decarbonization path compatible with the Paris Agreement.

14 SOLAR ENERGY↗
DOE OSTI2020

Standoff detection of chemical plumes from high explosive open detonations using a swept-wavelength external cavity quantum cascade laser

A swept-wavelength external cavity quantum cascade laser (ECQCL) is used to perform standoff detection of combustion gases in a plume generated from an outdoor high-explosive (HE) open detonation. The swept-ECQCL system was located at a standoff distance of 830 m from a 41kg charge of LX-14(polymer-bonded high explosive) and was used to measure the infrared transmission/absorption through the post-detonation plume as it propagated through the beam path. The swept-ECQCL was operated continuously to record broadband absorption spectra at 200hz rate over a spectral range from 2050 to 2230 cm -1 (4.48 - 4.88 μm). Fitting of measured spectra was used to determine time-resolved column densities of CO, CO 2 , H 2 O, and N 2 O. Analysis of visible video imagery was used to provide timing correlations and to estimate plume dimensions, from which gas mixing ratios were estimated. Measured emission factors and modified combustion efficiency show good agreement with previously reported values.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Crossover between weak antilocalization and weak localization in few-layer W Te 2 : Role of electron-electron interactions

We report electron transport studies in an encapsulated few-layer WTe 2 at low temperatures and high magnetic fields. The magnetoconductance reveals a temperature-induced crossover between weak antilocalization and weak localization in the quantum diffusive regime. Here we show that the crossover clearly manifests coexistence and competition among several characteristic lengths, including the dephasing length, the spin-flip length, and the mean free path. In addition, low-temperature conductance increases logarithmically with the increase of temperature indicating an interplay of electron-electron interaction (EEI) and spin-orbit coupling (SOC). We demonstrate the existence and quantify the strengths of EEI and SOC which are considered to be responsible for gap opening in the quantum spin Hall state in WTe 2 at the monolayer limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Simulation of Liquid Lithium Divertor Geometry Using SOLPS-ITER

Here, plasma-facing component (PFC) geometries are evaluated for a Fusion Nuclear Science Facility (FNSF) design to find solutions that are compatible with flowing liquid lithium components while satisfying requirements from the perspective of plasma and neutral particle transport. Flowing liquid metal (LM) divertor systems offer important advantages due to continual regeneration of the surface material, but may require modifications from standard optimized tokamak divertor designs. Scrape Off Layer Plasma Simulator for the International Thermonuclear Experimental Reactor (SOLPS-ITER) simulations are used to compare standard vertical target, open, and balanced baffled geometries. It is found that the open geometry offers little control of neutral particles and has narrow operating windows where the divertor fluxes can be lowered to acceptable levels, while maintaining the required upstream density. The addition of neutral baffles allows greater control over the divertor conditions with less impact on the upstream density. The divertor neutral pressure in the baffled geometry is slightly higher than the open divertor, but not as large with a vertical target. A first-pass coupling of the SOLPS solution with sheath and implantation/erosion models to compute the lithium emission shows that the lithium is largely confined to the near-surface region due to the small ionization mean free path and large main ion flow toward the surface. The lithium source was varied by three orders of magnitude. At the highest rate, when the sourced lithium approaches the level of the main ion recycling flux, a high core lithium concentration (~10%) is observed with only moderate power dissipation to affect the divertor plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Computing water flow through complex landscapes – Part 2: Finding hierarchies in depressions and morphological segmentations

Depressions – inwardly draining regions of digital elevation models – present difficulties for terrain analysis and hydrological modeling. Analogous “depressions” also arise in image processing and morphological segmentation, where they may represent noise, features of interest, or both. Here we provide a new data structure – the depression hierarchy – that captures the full topologic and topographic complexity of depressions in a region. We treat depressions as networks in a way that is analogous to surface-water flow paths, in which individual sub-depressions merge together to form meta-depressions in a process that continues until they begin to drain externally. This hierarchy can be used to selectively fill or breach depressions or to accelerate dynamic models of hydrological flow. Complete, well-commented, open-source code and correctness tests are available on GitHub and Zenodo.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Implementation and test of an automated control hunting fault correction algorithm in a fault detection and diagnostics tool

Control hunting due to improper proportional–integral–derivative (PID) parameters in the building automation system (BAS) is one of the most common faults identified in commercial buildings. It can cause suboptimal performance and early failure of heating, ventilation, and air conditioning (HVAC) equipment. Commercial fault detection and diagnostics (FDD) software represents one of the fastest growing market segments in smart building technologies in the United States. Implementation of PID retuning procedures as an auto-correction algorithm and integration into FDD software has the potential to mitigate control hunting across a heterogeneous portfolio of buildings with different BAS in a scalable way. This paper presents the development, implementation, and field testing of an automated control hunting fault correction algorithm based on lambda tuning open-loop rules. The algorithm was developed in a commercial FDD software and successfully tested among nine variable air volume boxes in an office building in the United States. The paper shows the feasibility of using FDD tools to automatically correct control hunting faults, discusses scalability considerations, and proposes a path forward for the HVAC industry and academia to further improve this technology.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

DIII-D's role as a national user facility in enabling the commercialization of fusion energy

The path to fusion in the United States requires partnership between public and private sector. While the private sector provides the vigor to take some of the major steps necessary, there is a depth of expertise and capability in the public sector that is vital to resolving feasible approaches. As an open national user facility, DIII-D provides a crucial testbed to develop the required new technologies and approaches in relevant conditions. It has unparalleled potential to meet this challenge, thanks to its extreme flexibility and world leading diagnostics. This provides a basis to rapidly develop solutions that project to future reactors with confidence. The program has thus been redeveloped to enable public and private sector engagement and testing of new concepts. A new technology program has been launched to resolve plasma interacting technologies. With modest heating upgrades, the facility can confront the crucial “Integrated Tokamak Exhaust and Performance” gap, to resolve core, exhaust and technology solutions together. The device is also being redeveloped as a training facility, with dedicated student run time, a mentorship program, and open access to all opportunity roles, part of wider efforts to diversify and open pathways through inclusion, access, and equity. This exciting agenda is enabling scientists and technology researchers to pioneer the solutions needed for a Fusion Pilot Plant (FPP) and ITER this decade. As a national user facility, DIII D has singular potential to provide the tools, teams, and insight necessary, to do its part in moving the United States rapidly toward the commercialization of fusion energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

SST-GPU: A Scalable SST GPU Component for Performance Modeling and Profiling

Programmable accelerators have become commonplace in modern computing systems. Advances in programming models and the availability of unprecedented amounts of data have created a space for massively parallel accelerators capable of maintaining context for thousands of concurrent threads resident on-chip. These threads are grouped and interleaved on a cycle-by-cycle basis among several massively parallel computing cores. One path for the design of future supercomputers relies on an ability to model the performance of these massively parallel cores at scale. The SST framework has been proven to scale up to run simulations containing tens of thousands of nodes. A previous report described the initial integration of the open-source, execution-driven GPU simulator, GPGPU-Sim, into the SST framework. This report discusses the results of the integration and how to use the new GPU component in SST. It also provides examples of what it can be used to analyze and a correlation study showing how closely the execution matches that of a Nvidia V100 GPU when running kernels and mini-apps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A hub and spoke approach to optimizing energy wheeling of renewable resources

The deployment of zero carbon renewable energy sources needs to increase significantly to support the goal of net zero greenhouse gas emissions by 2050. At the same time energy end use needs to decarbonize. This will change both energy supply and energy demand patterns, requiring the energy delivery infrastructure (grid-based transmission circuits) to become increasingly flexible to maintain security of supply everywhere and always. The integration of zero carbon renewable energy requires cross-border and cross energy system coupling and a fit-for-purpose design. Nowadays, energy systems are planned, designed and operated in silos with a strong national focus. However, large-scale offshore wind production needs to be transported to deep inland locations, across country borders. The increased peak generation capacity of renewable energy sources will, at times, significantly exceed demand (Matthew Langholtz, 2020). The traditional solution of continuously reinforcing and extending the electricity grid is not sustainable from a cost and societal perspective. This paper will, however, propose a deterministic approach on how networked (interconnected grid) Points of receipt (POR) to Points of Delivery (POD) can be optimized for wheeling renewable energy resources while minimizing energy cost with a hub and spoke approach. The statistical approach will be done via using existing daily energy market clearing prices, available transmission capacity and firm daily transmission prices in open access energy markets. Renewable energy targets, including specific offshore wind targets, need to be in line with the ramp-up as implied by the Paris Agreement. These targets are required to provide industry with a secure market outlook that allows them to build up supply chains accordingly. Optimizing wheeled energy paths from carbon neutral resources such as renewables make them not only cost competitive on the unit commitment stack, but also more accessible on the dispatch stack to other carbon heavy forms of generation such as coal and natural gas turbines (Matthew Langholtz, 2020). This correlates to maximizing renewable resource inertia (wind, solar, biomass) within an interconnected grid without having to consider additional expansion of resources via land purchases and de-forestation.

Mukherjee, Srijib↗
DOE OSTI2026

General framework for quantifying dissipation pathways in open quantum systems. III. Off-diagonal subsystem–bath couplings

This paper extends the previously reported theory of dissipation pathways [C. W. Kim and I. Franco, J. Chem. Phys. 160, 214111 (2024)] to incorporate off-diagonal subsystem–bath coupling, which is often required to model molecular systems where the environment directly influences transitions and couplings between subsystem states. We systematically derive master equations for both population transfer and dissipation into individual bath components, for which we also rigorously prove energy conservation and detailed balance. The approach is based on second-order perturbation theory with respect to the subsystem–bath couplings, whose form is not limited to any specific model. The accuracy of the developed method is tested by applying it to diverse model Hamiltonians involving linearly coupled harmonic oscillator baths and comparing the outcomes against the hierarchical equations of motion (HEOM) method. Overall, our method accurately quantifies the contributions of specific bath components to the overall dissipation while significantly reducing the computational cost compared to numerically exact methods such as HEOM, thus offering a path to examine how vibronic interactions steer non-adiabatic processes in realistic chemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

OpenStudio®-ERI (Energy Rating Index (ERI) Workflow) [SWR-18-72] 1.7.0 Released 12/14/2023

The OpenStudio®-ERI project allows calculating an Energy Rating Index (ERI) using the Department of Energy's open-source OpenStudio®/EnergyPlus® simulation platform. The building description is provided in an HPXML file format. The project supports: - ANSI/RESNET/ICC 301© Standard for the Calculation and Labeling of the Energy Performance of Dwelling and Sleeping Units using an Energy Rating Index - ENERGY STAR Certification System for Homes and Apartments Using an ERI Compliance Path - IECC ERI Compliance Alternative (Section R406) - DOE ZERH Certification Using an ERI Compliance Path For more information on running simulations, generating HPXML files, etc., please visit the documentation at https://openstudio-eri.readthedocs.io/en/latest/

Horowitz, Scott↗