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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

HPC Molecular Simulation Tries Out a New GPU: Experiences on Early AMD Test Systems for the Frontier Supercomputer

Molecular simulation is an important tool for nu- merous efforts in physics, chemistry, and the biological sciences. Simulating molecular dynamics requires extremely rapid cal- culations to enable sufficient sampling of simulated temporal molecular processes. The Hewlett Packard Enterprise (HPE) Cray EX Frontier supercomputer installed at the Oak Ridge Leadership Computing Facility (OLCF) will provide an exascale resource for open science, and will feature graphics processing units (GPUs) from Advanced Micro Devices (AMD). The future LUMI supercomputer in Finland will be based on an HPE Cray EX platform as well. Here we test the ports of several widely used molecular dynamics packages that have each made substantial use of acceleration with NVIDIA GPUs, on Spock, the early Cray pre-Frontier testbed system at the OLCF which employs AMD GPUs. These programs are used extensively in industry for pharmaceutical and materials research, as well as academia, and are also frequently deployed on high-performance computing (HPC) systems, including national leadership HPC resources. We find that in general, performance is competitive and installation is straightforward, even at these early stages in a new GPU ecosystem. Our experiences point to an expanding arena for GPU vendors in HPC for molecular simulation.

Sedova, Ada↗
DOE OSTI2022

Proton-Mediated and Ir-Catalyzed Iron/Iron-Oxide Redox Kinetics for Enhanced Rechargeability and Durability of Solid Oxide Iron–Air Battery

Long duration energy storage (LDES) is an economically attractive approach to accelerating clean renewable energy deployment. The newly emerged solid oxide iron–air battery (SOIAB) is intrinsically suited for LDES applications due to its excellent low-rate performance (high-capacity with high efficiency) and use of low-cost and sustainable materials. However, rechargeability and durability of SOIAB are critically limited by the slow kinetics in iron/iron-oxide redox couples. Here the use of combined proton-conducting BaZr 0.4 Ce 0.4 Y 0.1 Yb 0.1 O 3 (BZC4YYb) and reduction-promoting catalyst Ir to address the kinetic issues, is reported. It is shown that, benefiting from the facilitated H + diffusion and boosted FeOx-reduction kinetics, the battery operated under 550 °C, 50% Fe-utilization and 0.2 C, exhibits a discharge specific energy density of 601.9 Wh kg –1 -Fe with a round-trip efficiency (RTE) of 82.9% for 250 h of a cycle duration of 2.5 h. Under 500 °C, 50% Fe-utilization and 0.2 C, the same battery exhibits 520 Wh kg –1 -Fe discharge energy density with an RTE of 61.8% for 500 h. This level of energy storage performance promises that SOIAB is a strong candidate for LDES applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Physical Sciences Vistas: Issue 4 2021

In this issue of Physical Sciences Vistas we highlight examples of “excellence in nuclear security.” In this issue, highlights of our outstanding work supporting the Laboratory’s nuclear security enterprise include the following: The complete refurbishment of Sigma’s surface finishing lab. Pride in the lab’s revitalized condition on the part of the operations and R&D staff responsible for this complex operation is well justified. Development of advanced materials and processes enabling next-generation weapons designs, much of which has been facilitated by projects supported by the Laboratory Directed Research and Development Program. The use of proton radiography in illuminating elements important to validating high explosive burn models. The experimental series was a collaboration between Los Alamos researchers and staff at Lawrence Livermore and Sandia national laboratories and the United Kingdom’s Atomic Weapons Establishment. Deployment of a sophisticated remote handling unit to safely transfer highly radioactive materials required to support mission-critical projects. The skillful swap of an electrical transformer at the Los Alamos Neutron Science Center (LANSCE). The deliberate operation restored power to the accelerator in less than estimated time. A look at George Goff ’s role in translating fundamental science into applied solutions essential to the Lab’s nuclear security mission.

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

Continuum Model Development for Electrochemical Systems (Statement of Work: Ilenia Battiato Subcontract)

The subcontractor shall provide the services of qualified multiscale modelers to perform tasks that contribute to reaching the objectives of the LDRD project entitled Automated and Accelerated Continuum Model Development for Electrochemical Systems (Tracking number 24-ERD-051). These tasks relate to the development, deployment, and validation of multiscale models relevant to electrochemical systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

5G Enabled Energy Innovation: Advanced Wireless Networks for Science (Workshop Report)

Rapidly expanding, new telecommunications infrastructure based on 5G technologies will disrupt and transform how we design, build, operate, and optimize scientific infrastructure and the experiments and services enabled by that infrastructure, from continental-scale sensor networks to centralized scientific user facilities, from intelligent Internet of Things devices to supercomputers. Concurrently, 5G will introduce, or exacerbate, challenges related to protecting infrastructure and associated scientific data as well as to fully leveraging opportunities related to expanded infrastructure scale and complexity. The U.S. Department of Energy (DOE) Office of Science operates scientific infrastructure, supporting some of the nation’s most advanced intellectual discoveries, spanning the country and including 30 world-class user facilities from supercomputers to accelerators. Along with field experiments and remote observatories, every aspect of DOE’s scientific enterprise will be affected by 5G, which amounts to a complete renovation of the underpinnings of the nation’s information infrastructure. In this report we explore the scientific opportunities and new research challenges associated with 5G, ranging from scalability to heterogeneity to cybersecurity. The rapid commercial deployment of 5G opens the opportunity to rethink and reinvent DOE’s scientific infrastructure and experimentation, from intelligent sensor networks at unprecedented scales to a digital continuum of cyberinfrastructure spanning low-power sensors, high-performance computing embedded within and at the edge of the network, and DOE’s large-scale user instrument and computing facilities. New programming paradigms, workflow and data frameworks, and AI-based system design, operation, and autonomous adaptation and optimization will be necessary in order to exploit these new opportunities. Field deployments and centralized scientific instruments can also be revolutionized, moving (without traditional performance penalties) from wired to wireless connectivity for data and control systems, improving flexibility, and opening new sensing modalities, including the use of the 5G electromagnetic spectrum itself as an environmental probe. For DOE science, in contrast to commercial 5G applications and settings, devices will be deployed in extreme environments such as cryogenically cooled instrument control systems and in remote settings with harsh conditions, requiring the design of new materials for RF communication and edge processing to operate in these regimes. Concurrently, 5G infrastructure comprises both hardware and sophisticated software systems - currently closed and proprietary. The cybersecurity challenges to 5G-empowered reinvention mirror the complexity and variety of new 5G features, from virtualization to private network slices to ubiquitous access. Research is also needed in order to accelerate the development of secure and open 5G software infrastructure, reducing reliance on hardware and software produced outside the United States and providing the transparency and rigorous evaluation and testing afforded through open software. Twelve broad research thrusts are laid out in four chapters, with a companion fifth chapter (and three additional research thrusts) underscoring the needs and opportunities for an aggressive testbed program co-designed by networking experts and scientists involved in the 15 research thrusts. The urgency of undertaking this research is fueled by a global, accelerating deployment of new telecommunications infrastructure that is designed for entertainment and commercial applications - barely scratching the surface of what 5G can do to extend U.S. leadership in scientific discovery.

42 ENGINEERING↗
DOE OSTI2023

OECD-NEA HTTF Benchmark Progress and Updates

General slides discussing High Temperature Test Facility benchmark progress, Prismatic HTGR deployment, modeling and simulation tools for validating systems, and verification and validation issues. Also discuss collaboration and conclusions of RELAP5-3D validation activities based on HTTF with trends in data and international impact to accelerate deployment of prismatic HTGR microreactors by providing an opportunity for designers to assess their codes against experimental data and solutions from other codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Oak Ridge National Laboratory Annual Sustainability Report 2010-2011

The mission of Oak Ridge National Laboratory (ORNL) is to deliver scientific discoveries and technical breakthroughs that will accelerate the development and deployment of solutions in clean energy and global security, and in doing so create economic opportunity for the nation. To execute this mission, ORNL integrates and applies distinctive core capabilities that provide it with signature strengths in neutron scattering, advanced materials, high-performance computing, and nuclear science and engineering. The intended outcome is to produce transformational innovations that will enable a 21st century industrial revolution. Managed by UT-Battelle, a partnership of the University of Tennessee (UT) and Battelle Memorial Institute, ORNL was established in 1943 to support the Manhattan Project. From an early focus on chemical technology and reactor development, ORNL’s research and development (R&D) portfolio broadened to include programs supporting DOE missions in scientific discovery and innovation, clean energy, and nuclear security. Today, as DOE’s largest science and energy laboratory, ORNL is engaged in programs and partnerships that leverage major national investments in critical research infrastructure, including the world’s foremost resources for neutron sciences, the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR), and the nation’s most powerful scientific computing complex. ORNL also manages the U.S. ITER project for DOE. Each year, ORNL hosts thousands of facility users and visiting scientists, many of whom perform work at its 10 user facilities, and supports the development of the next generation of scientific and technical talent. ORNL has a staff of about 4,400 and an annual budget of more than $\$$1.6 billion. The Laboratory’s extensive capabilities for scientific discovery and innovation are applied to the delivery of mission outcomes for DOE and other sponsors.

Lapsa, Melissa Voss↗
DOE OSTI2015

Development of an x-ray Talbot-Lau moiré deflectometer for fast density profile measurements of dense plasmas generated by beam-target interactions

We report that for the first time an x-ray Talbot-Lau moiré deflectometer is being developed that will use a flash tube source and fast detector for dynamic density gradient measurements. In Talbot-Lau moiré deflectometry, an x-ray grating makes an image of itself on a second grating (the Talbot effect) to produce a moiré pattern on a detector. The test object is placed between these gratings, with variations in index of refraction changing the pattern. A third grating in front of an incoherent x-ray source produces an array of coherent sources. With a 150 kV x-ray flash tube as the source, the gratings are placed in a glancing angle setup for performance at ~60 keV. The detector is a gated CCD with a fast scintillator for x-ray conversion. This diagnostic, designed for the Dual-Axis Radiographic Hydrodynamic Test facility (DARHT) at Los Alamos National Laboratory, measures the density profile of dense plasma plumes ejected from beam-target interactions. DARHT has two high-current, pulsed, inductive linear electron accelerators with bremsstrahlung targets at the end of each beam line to create 2-D radiographic images of hydrodynamic tests. One multi-pulse accelerator has up to four beam pulses striking the same target within 2 μs. Computer simulations that model target evolution and ejected material between pulses are used to design these targets for optimal radiographic performance; the x-ray deflectometer will directly measure density gradients in the ejected plumes and provide the first experimental constraints to these models. During the first year, currently underway, the diagnostic systems are being designed. In year two, the flash tube and fast detector will be deployed at DARHT for radiographic imaging while the deflectometer is built and tested on the bench with a continuous source. In year three, the fast deflectometer will be installed on DARHT and density measurements will be performed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

R&D Roadmap for Enhanced Resilient Plant Systems, Metrics, Scenarios, Risk Analysis, and Modeling and Simulation

The nuclear industry and the U.S. Department of Energy are jointly developing accident tolerant fuel (ATF) which has the potential to greatly improve the safety and economic performance of the current fleet of NPPs. The combination of ATF with the optimal use of FLEX equipment (deployed as an industry response to the Fukushima Daiichi Nuclear Power Plant (NPP) accident in 2012), enhancements on plant components and systems, incorporation of augmented cooling systems or new passive cooling systems, and improvements in fuel cycle efficiency, have the potential to render the NPPs more efficient and resilient to events (both internally and externally initiated) that have the potential to challenge the integrity of the fuel or plant containment. In this report, combinations of these plant improvements are called Enhanced Resilient Plant Systems. In order to accelerate the development and deployment of the components that comprise Enhanced Resilient Plant Systems, a well-integrated toolkit that is fuel/clad-, fuel cycle-, systems-, and scenario-centric is required to provide a ready platform for the analysis of the advanced ATF fuel and cladding materials that are being developed, as well as plant systems modifications to achieve enhanced resiliency. Since the deployment of these enhancements will comprise a risk/benefit tradeoff of their impacts on plant safety and economics, the envisioned toolkit will need to be capable to characterizing the multidimensional aspects associated with these evaluations and provide decision-makers with information that can optimize the technological, economic, and safety benefits that are to be obtained. The Risk-Informed Systems Analysis (RISA) Pathway of the DOE Light Water Reactor Sustainability (LWRS) Program initiated several research tasks to develop analytical capabilities to support the industry in the transition to the ATF and Enhanced Resilient Plant Systems. The general idea behind the initiative is the development of an integrated evaluation approach which combines the plant probabilistic risk assessment (PRA) models with Multi-Physics Best Estimate Plus Uncertainty (MP-BEPU) analyses in a seamless fashion. The integrated evaluation framework aims at enabling plant system configuration variations to be studied with speed and precision, including detailed risk and benefit assessments of introducing ATF and Enhanced Resilient Plant Systems into current LWR plants to achieve both safety and operational performance enhancements. The focus of this report is to present an integrated research and development (R&D) roadmap to identify and perform high value evaluations of proposed ATF and Enhanced Resilient Plant Systems concepts to identify both the technical (e.g. benefits to risk, safety, and operational margins) and the economic (i.e. business and cost) elements associated with industry adoption of the technology. The integrated evaluation approach will be developed to support the development, testing, qualification, licensing, and deployment of ATF and Enhanced Resilient Plant Systems technology that is capable of achieving substantial safety and economic improvements as well as timely widespread adoption by the US nuclear industry.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

DuraMAT FY 2023 Annual Report: Toward Reliability Forecasting

The Durable Module Materials Consortium (DuraMAT) launched in November 2016 with five years of funding from the U.S. Department of Energy s (DOE's) Solar Energy Technologies Office (SETO). The program renewed in 2022 for an additional 6 years. DuraMAT is a multi-lab consortium led by the National Renewable Energy Laboratory, with Sandia National Laboratories (Sandia) and Lawrence Berkeley National Laboratory (LBNL) as core research labs. DuraMAT's overarching goal is to accelerate a sustainable, just, and equitable transition to zero-carbon electricity generation by 2035. 2023 has been a wild ride in the solar industry. Photovoltaic (PV) manufacturing is coming back to the United States, and deployment is booming again. DuraMAT has a unique opportunity to support flourishing manufacturing and deployment over the next couple of years.

durable module↗
DOE OSTI2021

Transforming Energy through Computational Science: Computing for Clean Energy

This fact sheet discusses the opportunity space for NREL's computational science capabilities to address national clean energy objectives. Achieving a carbon-free power sector by 2035 as a step towards a decarbonized U.S. energy economy in 2050 will require major advances in power generation, autonomous energy systems, transportation, and buildings/communities. Development of integrated modeling approaches for complex energy systems will be essential for deployment. Success requires developments in optimization and control theory, complemented by machine learning (ML) and artificial intelligence (AI), all of which in turn need targeted investments in breadth and scale of computing. This document defines an opportunity space where: embracing computing can link established research and development (R&D) to a decarbonization agenda; pursuing emerging approaches can accelerate the pace of technology advancement across the portfolio; and leading by example could reduce the carbon footprint of computing worldwide.

advanced computing↗
DOE OSTI2020

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherever applicable to evaluate error/uncertainty in predictions. In addition to the existing workflows, the infrastructure can support a wide variety of other technologically important applications as part of the data-driven materials design paradigm. The JARVIS datasets and tools are publicly available at the website: https://jarvis.nist.gov .

36 MATERIALS SCIENCE↗
NASA NTRS1990

Tethered gravity laboratories study

The scope of the study is to investigate ways of controlling the microgravity environment of the International Space Station by means of a tethered system. Four main study tasks were performed. First, researchers analyzed the utilization of the tether systems to improve the lowest possible steady gravity level on the Space Station and the tether capability to actively control the center of gravity position in order to compensate for activities that would upset the mass distribution of the Station. The purpose of the second task was to evaluate the whole of the experiments performable in a variable gravity environment and the related beneficial residual accelerations, both for pure and applied research in the fields of fluid, materials, and life science, so as to assess the relevance of a variable g-level laboratory. The third task involves the Tethered Variable Gravity Laboratory. The use of the facility that would crawl along a deployed tether and expose experiments to varying intensities of reduced gravity is discussed. Last, a study performed on the Attitude Tether Stabilizer concept is discussed. The stabilization effect of ballast masses tethered to the Space Station was investigated as a means of assisting the attitude control system of the Station.

Lucchetti, F.↗
DOE OSTI2024

A holistic platform for accelerating sorbent-based carbon capture

Abstract Reducing carbon dioxide (CO 2 ) emissions urgently requires the large-scale deployment of carbon-capture technologies. These technologies must separate CO 2 from various sources and deliver it to different sinks 1,2 . The quest for optimal solutions for specific source–sink pairs is a complex, multi-objective challenge involving multiple stakeholders and depends on social, economic and regional contexts. Currently, research follows a sequential approach: chemists focus on materials design 3 and engineers on optimizing processes 4,5 , which are then operated at a scale that impacts the economy and the environment. Assessing these impacts, such as the greenhouse gas emissions over the plant’s lifetime, is typically one of the final steps 6 . Here we introduce the PrISMa (Process-Informed design of tailor-made Sorbent Materials) platform, which integrates materials, process design, techno-economics and life-cycle assessment. We compare more than 60 case studies capturing CO 2 from various sources in 5 global regions using different technologies. The platform simultaneously informs various stakeholders about the cost-effectiveness of technologies, process configurations and locations, reveals the molecular characteristics of the top-performing sorbents, and provides insights on environmental impacts, co-benefits and trade-offs. By uniting stakeholders at an early research stage, PrISMa accelerates carbon-capture technology development during this critical period as we aim for a net-zero world.

Science & Technology - Other Topics↗
DOE OSTI2024

From Chaos to Clarity: Autonomous Materials Discovery for Extreme Environments [Slides]

The pursuit of advanced functional materials for energy applications demands an understanding of their behavior under the most challenging conditions. Extreme environments, characterized by intense radiation, high temperatures, and corrosive chemistries, push materials to their limits, often revealing unexpected behaviors and degradation pathways. Traditional materials research approaches, relying on trial-and-error experimentation, are often slow and resource-intensive, ill-suited to the complexities of extreme environments. This talk will explore the transformative potential of autonomous materials science in revolutionizing our understanding of materials synthesis and degradation in extreme environments. By integrating advanced microscopy techniques, artificial intelligence, and robotic experimentation, we can accelerate the discovery and design of resilient materials for a sustainable future. The presentation will highlight recent breakthroughs in autonomous microscopy, computer vision, and machine learning, showcasing their ability to unravel complex material transformations at the atomic scale. The talk will also delve into the challenges and opportunities associated with deploying autonomous systems to probe extreme environments, emphasizing the importance of robust algorithms, real-time data analysis, and adaptive experimentation. The ultimate goal is to empower scientists with unprecedented capabilities to explore, understand, and engineer materials that can withstand the harshest conditions, paving the way for innovations in energy, aerospace, and beyond.

14 SOLAR ENERGY↗
NASA NTRS2002

Development of a Prototype Low-Voltage Electron Beam Freeform Fabrication System

NASA's Langley Research Center and Johnson Space Center are developing a solid freeform fabrication system utilizing an electron beam energy source and wire feedstock. This system will serve as a testbed for exploring the influence of gravitational acceleration on the deposition process and will be a simplified prototype for future systems that may be deployed during long-duration space missions for assembly, fabrication, and production of structural and mechanical replacement components. Critical attributes for this system are compactness, minimal mass, efficiency in use of feedstock material, energy use efficiency, and safety. The use of a low-voltage (less than 15kV) electron beam energy source will reduce radiation so that massive shielding is not required to protect adjacent personnel. Feedstock efficiency will be optimized by use of wire, and energy use efficiency will be achieved by use of the electron beam energy source. This system will be evaluated in a microgravity environment using the NASA KC-135A aircraft.

Watson, J. K.↗
DOE OSTI2024

From Chaos to Clarity: Autonomous Materials Discovery for Extreme Environments

The pursuit of advanced functional materials for energy applications demands an understanding of their behavior under the most challenging conditions. Extreme environments, characterized by intense radiation, high temperatures, and corrosive chemistries, push materials to their limits, often revealing unexpected behaviors and degradation pathways. Traditional materials research approaches, relying on trial-and-error experimentation, are often slow and resource-intensive, ill-suited to the complexities of extreme environments. This talk will explore the transformative potential of autonomous materials science in revolutionizing our understanding of materials synthesis and degradation in extreme environments. By integrating advanced microscopy techniques, artificial intelligence, and robotic experimentation, we can accelerate the discovery and design of resilient materials for a sustainable future. The presentation will highlight recent breakthroughs in autonomous microscopy, computer vision, and machine learning, showcasing their ability to unravel complex material transformations at the atomic scale. The talk will also delve into the challenges and opportunities associated with deploying autonomous systems to probe extreme environments, emphasizing the importance of robust algorithms, real-time data analysis, and adaptive experimentation. Our ultimate goal is to empower scientists with unprecedented capabilities to explore, understand, and engineer materials that can withstand the harshest conditions, paving the way for innovations in energy, aerospace, and beyond.

artificial intelligence↗