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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 181 records · Page 10

R and T report: Goddard Space Flight Center

The 1993 Research and Technology Report for Goddard Space Flight Center is presented. Research covered areas such as (1) flight projects; (2) space sciences including cosmology, high energy, stars and galaxies, and the solar system; (3) earth sciences including process modeling, hydrology/cryology, atmospheres, biosphere, and solid earth; (4) networks, planning, and information systems including support for mission operations, data distribution, advanced software and systems engineering, and planning/scheduling; and (5) engineering and materials including spacecraft systems, material and testing, optics and photonics and robotics.

Soffen, Gerald A.↗

Understanding Hydraulic Fracturing: A Multi-Scale Problem

Despite the impact that hydraulic fracturing has had on the energy sector, the physical mechanisms that control its efficiency and environmental impacts remain poorly understood in part because the length scales involved range from nano-meters to kilo-meters. We characterize flow and transport in shale formations across and between these scales using integrated computational, theoretical, and experimental efforts. At the field scale, we use discrete fracture network modeling to simulate production at a well site whose fracture network is based on a site characterization of a shale formation. At the core scale, we use triaxial fracture experiments and a finite-element discrete-element fracture propagation model with a coupled fluid solver to study dynamic crack propagation in low permeability shale. We use lattice Boltzmann pore-scale simulations and microfluidic experiments in both synthetic and real micromodels to study pore-scale flow phenomenon such as multiphase flow and mixing. A mechanistic description and integration of these multiple scales is required for accurate predictions of production and the eventual optimization of hydrocarbon extraction from unconventional reservoirs.

03 NATURAL GAS↗

International Assistance for Low-Emission Development Planning: Coordinated Low Emissions Assistance Network (CLEAN) Inventory of Activities and Tools--Preliminary Trends

The Coordinated Low Emissions Assistance Network (CLEAN) is a voluntary network of international practitioners supporting low-emission planning in developing countries. The network seeks to improve quality of support through sharing project information, tools, best practices and lessons, and by fostering harmonized assistance. CLEAN has developed an inventory to track and analyze internationaltechnical support and tools for low-carbon planning activities in developing countries. This paper presents a preliminary analysis of the inventory to help identify trends in assistance activities and tools available to support developing countries with low-emission planning.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

2015 Groundwater Monitoring Report Project Shoal Area: Subsurface Correction Unit 447

The Project Shoal Area in Nevada was the site of a 12-kiloton-yield underground nuclear test in 1963. Although the surface of the site has been remediated, investigation of groundwater contamination resulting from the test is still in the corrective action process. Annual sampling and hydraulic head monitoring are conducted at the site as part of the subsurface corrective action strategy. The corrective action strategy is currently focused on revising the site conceptual model (SCM) and evaluating the adequacy of the monitoring well network. Some aspects of the SCM are known; however, two major concerns are the uncertainty in the groundwater flow direction and the cause of rising water levels in site wells west of the shear zone. Water levels have been rising in the site wells west of the shear zone since the first hydrologic characterization wells were installed in 1996. Although water levels in wells west of the shear zone continue to rise, the rate of increase is less than in previous years. The SCM will be revised, and an evaluation of the groundwater monitoring network will be conducted when water levels at the site have stabilized to the agreement of both the U.S. Department of Energy Office of Legacy Management and the Nevada Division of Environmental Protection.

54 ENVIRONMENTAL SCIENCES↗

Peptide Conformational Preferences in Osmolyte Solutions: Transfer Free Energies of Decaalanine

The nature in which the protecting osmolyte trimethylamine N-oxide (TMAO) and the denaturing osmolyte urea affect protein stability is investigated, simulating a decaalanine peptide model in multiple conformations of the denatured ensemble. Binary solutions of both osmolytes and mixed osmolyte solutions at physiologically relevant concentrations of 2:1 (urea:TMAO) are studied using standard molecular dynamics simulations and solvation free energy calculations. Component analysis reveals the differences in the importance of the van der Waals (vdW) and electrostatic interactions for protecting and denaturing osmolytes. We find that urea denaturation governed by transfer free energy differences is dominated by vdW attractions, whereas TMAO exerts its effect by causing unfavorable electrostatic interactions both in the binary solution and mixed osmolyte solution. Analysis of the results showed no evidence in the ternary solution of disruption of the correlations among the peptide and osmolytes, nor of significant changes in the strength of the water hydrogen bond network.

08 HYDROGEN↗

Enterprise Risks for Scientific Software in the Post Exascale Era

The Department of Energy’s Office of Science’s Advanced Scientific Computing Research (ASCR) Office hosts three high performance computing Facilities and one high performance networking Facility. ASCR’s Facilities Division and these four Facilities established a joint working group to address the most severe threats to the software capabilities that can prevent the Facilities from supporting a diverse array of mission critical scientific research carried out by thousands of researchers from national labs, academia, and industry. This report outlines the risk categories, threat matrix calculations, and number of risks in each of the categories along with the threat levels. Two categories—programming environment/tools and system software—account for 13 out of the 20 risks encountered in the risk register. A significant risk to ASCR’s software ecosystem also arises from the possible loss of personnel and expertise past the end of the exascale computing project. The working group recommends that the software enterprise risks are reevaluated regularly, and are considered in future decision making regarding system acquisition, knowledge sharing, partnership development, and strategic planning

97 MATHEMATICS AND COMPUTING↗

Publications of the Jet Propulsion Laboratory 1982

A bibliography of articles concerning topics on the deep space network, data acquisition, telecommunication, and related aerospace studies is presented. A sample of the diverse subjects include, solar energy remote sensing, computer science, Earth resources, astronomy, and satellite communication.

Source record↗

Climate-Energy Nexus

The 140-page published proceedings of the workshop include individual articles and PowerPoint slides for all workshop presentations. The proceedings also contain pertinent background information on the China-US Joint Research Center, partnering organizations, and workshop goals and objectives. Overall, the workshop increased the understanding of the impacts of climate change on energy use and renewable energy production as well as the complex relationships among land use, energy production, and ecological restoration. The workshop served as an international platform for scientists and students of different research backgrounds to develop a unified perspective on energy and climate relationships. Such understanding will benefit future cooperation between China and the US in mitigating global climate change. The workshop’s agenda, which is highly interdisciplinary, explored many potential opportunities for international collaboration in ecosystem management, climate modeling, greenhouse gas emissions, and bioenergy sustainability. International research groups have been suggested in the areas of genomes and biotechnology of energy plants, sustainable management of soil and water resources, carbon sequestration, and microbial processes for ecological cycles. The project has attracted considerable attention from institutes beyond the China-US Joint Research Center partners, and several of them (such as Institute of Qing-Tibet Plateau Research, Institute of Soil and Water Conservation, Institute of Applied Ecology, CAS) have expressed interest in joining the partnership. In addition, the workshop played a significant role in facilitating establishment of private-public partnerships between government and private bioenergy companies (such as L.R. Shugarts and Associates, Inc.), including seed providers (Blade Energy Crops, Thousand Oaks, CA), pilot demonstration projects at coal-producing cities (e.g., Huaibei, Anhui province, China), and the development of methodology for assessment of the sustainable production of biofuels (such as life-cycle analysis, sustainability metrics, and land-use policy). Establishment of two US-China scientific research networks in the area of bioenergy and environmental science is a significant result of the workshop.

09 BIOMASS FUELS↗

Snowmass 2021 Computational Frontier CompF4 Topical Group Report Storage and Processing Resource Access

Computing plays a significant role in all areas of high energy physics. The Snowmass 2021 CompF4 topical group's scope is facilities R&D, where we consider "facilities" as the computing hardware and software infrastructure inside the data centers plus the networking between data centers, irrespective of who owns them, and what policies are applied for using them. In other words, it includes commercial clouds, federally funded High Performance Computing (HPC) systems for all of science, and systems funded explicitly for a given experimental or theoretical program. This topical group report summarizes the findings and recommendations for the storage, processing, networking and associated software service infrastructures for future high energy physics research, based on the discussions organized through the Snowmass 2021 community study.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Knowledge Transfer Project: Cultivating Smart Energy Solutions through Dynamic Peer-to-Peer Learning

As energy policy makers and professionals convene in the Oresund region for the 9th Annual Clean Energy Ministerial (CEM9), the global community is as united as ever around the common goal of accelerating the transition to global clean energy. Through sustained collective effort and thought leadership, CEM partners and stakeholders are systematically addressing the barriers to the widescale deployment of clean energy technologies. Pivotal to their progress is the efficient sharing and dissemination of knowledge. To address that need, the CEM-initiative International SmartGrid Action Network (ISGAN) launched the Knowledge Transfer Project (KTP) in March 2016 to capture, collect, and share knowledge about smart grid technologies among countries and key stakeholders. Building on ISGAN's experience with delivering deep-dive workshops, the KTP fosters meaningful international dialogue on smart grids with a focus on developing competence and building capacity. After a successful 2016 pilot project and two consecutive projects, each with a different focus and structure, the KTP has become an established practice that can support existing ISGAN or CEM initiatives. To accommodate different purposes, needs, and practical circumstances, ISGAN has adopted three basic models for delivering KTP workshops: Country-Centric, Multilateral, and Hybrid. This fact sheet describes each approach through case studies of workshops in Mexico, India, and Belgium, and invites new ideas and partners for future KTPs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Neural network methods for radiation detectors and imaging

Recent advances in image data proccesing through deep learning allow for new optimization and performance-enhancement schemes for radiation detectors and imaging hardware. This enables radiation experiments, which includes photon sciences in synchrotron and X-ray free electron lasers as a subclass, through data-endowed artificial intelligence. We give an overview of data generation at photon sources, deep learning-based methods for image processing tasks, and hardware solutions for deep learning acceleration. Most existing deep learning approaches are trained offline, typically using large amounts of computational resources. However, once trained, DNNs can achieve fast inference speeds and can be deployed to edge devices. A new trend is edge computing with less energy consumption (hundreds of watts or less) and real-time analysis potential. While popularly used for edge computing, electronic-based hardware accelerators ranging from general purpose processors such as central processing units (CPUs) to application-specific integrated circuits (ASICs) are constantly reaching performance limits in latency, energy consumption, and other physical constraints. These limits give rise to next-generation analog neuromorhpic hardware platforms, such as optical neural networks (ONNs), for high parallel, low latency, and low energy computing to boost deep learning acceleration (LA-UR-23-32395).

edge computing↗

Learning local equivariant representations for large-scale atomistic dynamics

Abstract A simultaneously accurate and computationally efficient parametrization of the potential energy surface of molecules and materials is a long-standing goal in the natural sciences. While atom-centered message passing neural networks (MPNNs) have shown remarkable accuracy, their information propagation has limited the accessible length-scales. Local methods, conversely, scale to large simulations but have suffered from inferior accuracy. This work introduces Allegro, a strictly local equivariant deep neural network interatomic potential architecture that simultaneously exhibits excellent accuracy and scalability. Allegro represents a many-body potential using iterated tensor products of learned equivariant representations without atom-centered message passing. Allegro obtains improvements over state-of-the-art methods on QM9 and revMD17. A single tensor product layer outperforms existing deep MPNNs and transformers on QM9. Furthermore, Allegro displays remarkable generalization to out-of-distribution data. Molecular simulations using Allegro recover structural and kinetic properties of an amorphous electrolyte in excellent agreement with ab-initio simulations. Finally, we demonstrate parallelization with a simulation of 100 million atoms.

74 ATOMIC AND MOLECULAR PHYSICS↗

Role of water states on water uptake and proton transport in Nafion using molecular simulations and bimodal network

In this paper, using molecular simulations and a bimodal-domain network, the role of water state on Nafion water uptake and water and proton transport is investigated. Although the smaller domains provide moderate transport pathways, their effectiveness remains low due to strong, resistive water molecules/domain surface interactions. Finally, the water occupancy of the larger domains yields bulk-like water, and causes the observed transition in the water uptake and significant increases in transport properties.

30 DIRECT ENERGY CONVERSION↗

Preferential void formation at crystallographically ordered grain boundaries in nanotwinned copper thin films

We report nanocrystalline materials are expected to have improved radiation resistance as the high density of grain boundary area is thought to act as an effective sink for radiation-induced defects. However, continued absorption of defects can alter the structure of grain boundaries and/or enhance their mobility, eventually leading to microstructural degradation in the form of grain coarsening, thus negating their initial radiation tolerance. Hence, an ideal microstructure might be one with a mix of boundaries that are effective sinks and limit grain coarsening. We show through in situ electron irradiation experiments, however, that this is an insufficient condition. Our observations indicate that even a high density of low energy coherent twin boundaries, supposedly stabilizing the microstructure against grain coarsening, can be a detriment in that it biases the mobility of vacancies accumulating during irradiation thereby resulting in preferential void nucleation near twin boundaries. These observations highlight the fact that radiation induced grain boundary migration depends greatly on the topology of the grain boundary network and that the migration of high-angle grain boundaries can be hindered when coordinated at triple junctions composed of at least two low-energy boundaries, e.g., coincidence site lattice boundaries.

36 MATERIALS SCIENCE↗