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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

PPPL Laboratory Directed Research and Development (Project Final Reports, FY2018 - FY2020)

The U.S. Department of Energy’s (DOE) Princeton Plasma Physics Laboratory (PPPL) is a collaborative national center for fusion energy science, basic sciences, and advanced technology. The Laboratory has three major missions: (1) to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world; (2) to advance the science of nanoscale fabrication for technologies of tomorrow; and (3) to further the development of the scientific understanding of the plasma universe from laboratory to astrophysical scales. PPPL’s Laboratory Directed Research and Development (LDRD) program supports and encourages creativity and innovation and contributes to its long-term viability. New scientific and technical research areas emerge and are nurtured through the program. Furthermore, new capabilities are developed to enable the Laboratory to meet its and DOE’s missions. The program is used to systematically diversify the Laboratory’s programs and mission. In the last few years, the program has started projects in nanomaterial synthesis, microelectronics, advanced x-ray spectroscopy, high-energy-density physics, superconducting magnet technology, machine learning and artificial intelligence, 3D magnetic fields to optimize fusion plasmas, integration of permanent magnets with simple high-field magnets to reduce the cost of producing complex 3D magnetic fields, advanced computational methods for predictive understanding and control of fusion plasma, development of quantum computing algorithms for plasma physics, liquid metal plasma-facing components for fusion reactors, virtual engineering, and plasma-based space propulsion. The program is also the vehicle to recruit and train talented scientists and engineers with the new skills needed to perform the Laboratory’s mission. Many of the new hires through the program go on to become world-class scientists and engineers in their fields. This report provides descriptions and accomplishments of those LDRD projects that were completed during fiscal years 2018 through 2020.

36 MATERIALS SCIENCE↗
DOE OSTI2021

USAMP Low-Cost Mg Sheet Component Development and Demonstration Project

The overarching objective of this USAMP project was to develop and demonstrate door panels made from magnesium (Mg) sheet with a cost penalty over conventional steel stampings of no more than $\$5.50$/kg saved. The technical approach integrated experiments with advanced computational tools based on Integrated Computational Materials Engineering (ICME) methods to develop new alloy chemistries and their thermomechanical processing that promise improved formability and lower forming temperatures. A penultimate task before finally forming the stampings was to incorporate actual microstructure into models that would enable formability simulations. This approach would, for the first time, account for individual magnesium grains moving in an anisotropic fashion unlike that for aluminum or steel that have isotropic properties upon which the current simulation tools are based. In separate activities, new coatings and lubricants to facilitate forming and improved corrosion protection and joining strategies, were developed to ensure that the door could be produced with stated product requirements. A technical cost model, which included parts production, assembly, and paint for a door specifically designed for Mg sheet, showed the cost penalty to be between $\$4.26$ to $\$6.60$/kg saved, which enveloped the project’s cost targets. The cost of the coated Mg sheet was identified as the key driver for the cost penalty. The mass of the Mg-intensive door was 7.9 kg, which was 54% less than the baseline steel door.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Low-Cost Magnesium Alloy Sheet Component Development and Demonstration Project

The overarching objective of this USAMP project was to develop and demonstrate door panels made from magnesium (Mg) sheet with a cost penalty over conventional steel stampings of no more than $5.50/kg saved. The technical approach integrated experiments with advanced computational tools based on Integrated Computational Materials Engineering (ICME) methods to develop new alloy chemistries and their thermomechanical processing that promise improved formability and lower forming temperatures. A penultimate task before finally forming the stampings was to incorporate actual microstructure into models that would enable formability simulations. This approach would, for the first time, account for individual magnesium grains moving in an anisotropic fashion unlike that for aluminum or steel that have isotropic properties upon which the current simulation tools are based. In separate activities, new coatings and lubricants to facilitate forming and improved corrosion protection and joining strategies, were developed to ensure that the door could be produced with stated product requirements. A technical cost model, which included parts production, assembly, and paint for a door specifically designed for Mg sheet, showed the cost penalty to be between 4.26 USD to 6.60 USD/kg saved, which enveloped the project’s cost targets. The cost of the coated Mg sheet was identified as the key driver for the cost penalty. The mass of the Mg-intensive door was 7.9 kg, which was 54% less than the baseline steel door.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Excited State Phenomena in Correlated Nanostructures: Transition Metal Oxide Clusters and Nanocrystals

The primary goal of our research program was to apply advanced computational techniques to predict electronic properties of molecular species. These include transition metal monoxide and dioxide clusters and negatively charged copper oxide clusters which are important systems for their utilization in a variety of technological applications. The enhanced electron-electron interactions inherent in these systems make it challenging to model their excited state properties within a parameter-free approach. The excited state properties in question include the interaction of light with these molecules which results in ejection of electrons from the system, or the absorption of light by the molecular system resulting in a molecule in a higher-energy state. Our overall goal was to investigate the impact of various computational and theoretical approaches on such electronic and optical excitations in these systems. Comparing several variants of theoretical approaches with available experimental data, and high-level quantum chemistry computations helped us identify the level of theory and approximations that are needed to achieve a reasonable balance between accuracy and computational demand.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Testing and Simulation of an Updated Cartridge Loop Vehicle

The Versatile Test Reactor (VTR) is a sodium-cooled, fast-spectrum test reactor that is being developed in the United States and will support a variety of irradiation test vehicle configurations, including cartridge loops. This work includes out-of-pile experimental results from a single-phase, natural circulation cartridge loop vehicle with geometry relevant to VTR irradiation sites, as well as comparisons between the experimental results and results predicted using the TRAC/RELAP Advanced Computational Engine (TRACE) modeling tool. The experiments were conducted in the thermosyphon test loop (TSTL) facility at Oak Ridge National Laboratory. Comparisons are also made between the current experimental data and results from natural circulation experiments previously conducted in the TSTL in a cartridge vehicle that is similar in design but has smaller flow areas. This cartridge vehicle and the experimental program were developed to add to the single-phase, natural circulation data collected in the previous iteration of the cartridge loop design, which supports future irradiation experiments and adds to a database that is useful for validating computer models. Comparisons of experimental results to TRACE model predictions is a pertinent step in validating the computational tool for supporting future irradiation experiment design and safety calculations, and comparisons to previous cartridge loop results highlight the impact of the design changes made to the test vehicle. The experiments conducted include several steady state tests and transients, including power ramp, loss of offsite power, and loss of external flow scenarios. This work shows that TRACE can accurately predict temperatures and flow conditions in the cartridge loop and the updated vehicle design achieves higher mass flow rates at the same steady state power levels.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Characterization and Modeling of Deformation Induced Damage in Titanium Alloys

Over the lifetime of their DOE support, and specifically during the past funding cycle, the PIs have primarily focused on ambient temperature studies of the mechanisms of heterogeneous deformation and shear transfer at GBs. The PIs have developed and applied a broad array of experimental approaches complemented by advanced computational methods and simulations to enable new understanding of GB shear transfer, and a new approach for modeling this behavior at the mechanistic level has been established. The PIs have examined how slip behavior differs on the surface and interior of polycrystals using a variety of approaches. Some of the associated data has been used to generate 3-D models of experimentally-characterized microstructures that both support interpretation of deformation mechanisms as well as reveal where modeling needs to be improved to more closely agree with what is experimentally observed. The PIs progress in constitutive modeling of crystal plasticity has introduced explicit GB resistance to shear that depends on the mutual geometry of active slip systems. This past work places the PIs in a good position to take on the challenges associated with mechanistically understanding the interplay between GBS and slip interactions.

42 ENGINEERING↗
DOE OSTI2023

Laboratory Directed Research and Development Program: FY 2021 Completed Projects

Oak Ridge National Laboratory (ORNL) is the US Department of Energy’s (DOE’s) largest multiprogram science, technology, and energy laboratory. It possesses distinctive capabilities in neutron science, computing, advanced materials, nuclear science and technology, and other fields. Using these capabilities, ORNL conducts basic and applied R&D to support DOE’s overarching mission “to ensure America’s security and prosperity by addressing its energy, environmental and nuclear challenges through transformative science and technology solutions.”1 As a national resource, ORNL also applies its capabilities and skills to specific needs of other federal agencies and customers through the DOE Strategic Partnership Projects (SPP) Program. Information about the laboratory and its programs is available on the ORNL website.2 The Laboratory Directed Research and Development (LDRD) Program at ORNL operates under the authority of the DOE Order 413.2C, “Laboratory Directed Research and Development,”3 which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. The LDRD Program funds are obtained through a charge to all laboratory programs. Although it represents a relatively small portion of the overall research budget, the LDRD Program plays an essential role in maintaining the laboratory’s ability to respond to national needs. The program allows ORNL to improve its distinctive capabilities and to enhance its ability to conduct cutting-edge R&D. In accordance with the DOE order, R&D projects funded through the LDRD Program at ORNL support the following goals: (1) maintain the scientific and technical vitality of the laboratory; (2) enhance the laboratory’s ability to address future DOE missions; (3) foster creativity and stimulate exploration of forefront areas of science and technology; (4) serve as a proving ground for new concepts in R&D; and (5) support high-risk, potentially high-value R&D. This report provides an overview of the LDRD Program at ORNL in FY 2021 and contains summaries of all LDRD research projects that concluded between October 1, 2020, and September 30, 2021.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Design of Next-Gen Cathode Materials With Both Cation and Anion Redox

Among all candidates of positive electrode materials for lithium ion batteries, the lithium rich layered oxides have gained growing research interests in recent years. Their energy density can reach closely to 700-900Wh/g (at materials level), making them the positive electrode materials with highest energy density among all known intercalation compounds for cathode materials. Combining both first principles computation, advanced electron and X-ray based imaging, we demonstrated that in the Li-rich materials oxygen vacancies are present and assist the transition metal ion migration through a facile mechanism. This means it is critically important to control the oxygen activities in these compounds for high voltage operations. In addition, the NiMn spinel oxides show little oxygen activities and under optimized synthesis condition the electrolyte/electrode interface showed superior stability. Combining the strengths of materials synthesis and the advanced characterization, I will discuss in details the strategies for stabilizing the anion redox for higher voltage electrode materials for lithium ion batteries.

Meng, Ying Shirley↗
DOE OSTI2023

Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing (Final Report)

This project assembles a strong U.S. industry and national laboratory team to complete scope of work. Kairos Power (KP), headquartered in Alameda, CA, is the leader of this effort and has built an internal team of highly competent engineers and managers with extensive combined experience in nuclear power, conventional power, product development, and licensing. INL, ANL, and LANL bring unique capabilities in advanced reactor R&D and licensing. The project funding source is the result of FOA No. 0001817, U. S. Industry Opportunities for Advanced Nuclear Technology Development. There has been on-going work and this Access Cooperative Research and Development Agreement (CRADA) will cover the remaining work scope of FOA 0001817. KP is implementing innovative strategies that can reduce the cost and accelerate the initial demonstration of the Kairos Power Fluoride-salt-cooled, High-temperature Reactor (KP-FHR) to meet the needs of the U.S. electricity market by 2030. Licensing of the KP-FHR could be significantly accelerated using advanced computing methods with sufficient predictive capabilities to be able to extrapolate potential response of the structure in different scenarios. However, currently used computational methods heavily rely on empirical fits and cannot be used for extrapolation. The scope focuses on improving the modeling capability in the NEAMS Grizzly structural mechanics code and the NEAMS BISON fuel performance code and the NEAMS SAM systems analysis code. This work leverages the expertise and know-how gathered in three DOE National Laboratories – INL, ANL, and LANL.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Advanced CO 2 Capture Solvent Systems for Dynamic Power Generation

RTI International, in collaboration with Pacific Northwest National Laboratory (PNNL), Carbon Capture Simulation for Industry Impact (CCSI 2 ), Electricity Power Research Institute (EPRI), and West Virginia University (WVU), successfully completed a joint research effort in developing a cost-effective, resilient, load-following advanced CO 2 capture technology for natural gas power plants. The project’s objective was to develop a CO 2 capture process that maximizes the net present value (NPV) of the electricity sale by minimizing the levelized cost of electricity (LCOE) under dynamic plant loads and high renewable penetration environments. The two key innovations developed in this project were the use of (i) advanced water-lean solvents (WLSs) and (ii) process intensification equipment, such as a rotating packed bed (RPB) absorber and dual-stage flash regeneration. The process’s low CO 2 capture cost is realized through WLSs’ low energy required for solvent regeneration, which lowers the operating cost while RPBs intensify the absorption process and reduces the power plant capital cost. A suite of advanced computational and simulation packages was implemented to guide the process design, validate the dynamic response of the capture plant, evaluate system-wide performance, and maximize the power plant’s profit. The project also engaged with power producers and other stakeholders to ensure its technical relevance and techno-economic viability. The development of this highly disruptive CO 2 capture technology could accelerate the industry adoption and thereby lower the greenhouse gas emissions of the U.S. power sector. Deployment of this technology can increase the reliability and decrease the cost of electricity generation in the U.S. by enabling the use of low-carbon fossil fuels to balance fluctuations of renewable energy availability.

03 NATURAL GAS↗
DOE OSTI2024

The SciDAC QuantOm Framework: A composable Workflow

As part of the Scientific Discovery through Advanced Computing (SciDAC) program, the Quantum Chromodynamics Nuclear Tomography (QuantOM) project aims to analyze data from Deep Inelastic Scattering (DIS) experiments conducted at Jefferson Lab and the upcoming Electron Ion Collider. The DIS data analysis is performed on an event-level by leveraging nuclear theory models and accounting for experimental conditions. In order to efficiently run multiple analyses under varying conditions, a composable workflow was designed where each section (theory, experiment, objective minimization, etc.) has its own dedicated module. The optimization, i.e. the fit of theory to experimental data is carried out by deep learning techniques, such as Generative Adversarial Networks (GANs) or Reinforcement Learning (RL). This presentation gives an overview of the current status of the workflow, highlights present and future challenges, and highlights possible extensions to other projects with similar requirements.

Lersch, Daniel↗
DOE OSTI2024

Laboratory Directed Research and Development Program: FY 2023 Completed Projects Report

Oak Ridge National Laboratory (ORNL) is the US Department of Energy’s (DOE’s) largest multiprogram science, technology, and energy laboratory. It possesses distinctive capabilities in a variety of fields, such as neutron science, computing, advanced materials, and nuclear science and technology. Using these capabilities, ORNL conducts basic and applied research and development (R&D) to support DOE’s overarching mission “to ensure America’s security and prosperity by addressing its energy, environmental and nuclear challenges through transformative science and technology solutions.” As a national resource, ORNL also applies its capabilities and skills to the specific needs of other federal agencies and customers through the DOE Strategic Partnership Projects (SPP) Program. Information about the laboratory and its programs is available on the ORNL website. The Laboratory Directed Research and Development (LDRD) Program at ORNL operates under the authority of the DOE Order 413.2C, Laboratory Directed Research and Development, which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. The LDRD Program funds are obtained through a charge to all laboratory programs. Although it represents a relatively small portion of the overall research budget, the LDRD Program plays an essential role in maintaining the laboratory’s ability to respond to national needs. The program allows ORNL to improve its distinctive capabilities and to enhance its ability to conduct cutting-edge R&D. This report provides an overview of the LDRD Program at ORNL in FY 2023 and contains summaries of all the LDRD research projects that concluded between October 1, 2022, and September 30, 2023.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

BISON: A Flexible Code for Advanced Simulation of the Performance of Multiple Nuclear Fuel Forms [Slides]

As fuel vendors and designers pursue the development of advanced reactors or the increase in burnup limits for existing reactors, advanced computational tools are necessary to understand the fuel performance. BISON, a fuel performance code developed primarily at Idaho National Laboratory, which is built upon the Multiphysics Object-Oriented Simulation Environment (MOOSE), provides capabilities to analyze multiple nuclear fuel forms in a wide variety of dimensions. Since its inception, BISON has been used to investigate the performance of light-water reactor fuel rods, accident tolerant fuel concepts, metallic and mixed-oxide (MOX) fuels for fast reactors, plate fuels for research reactors, and tri-structural isotropic (TRISO) fuel particles. This talk will provide a history of BISON, highlights of major development milestones, tributes to key contributors, and applications of its use to various fuel forms in one-, two-, and three-dimensions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Electron Cloud Simulations in the Fermilab Booster

As part of Fermilab's Proton Improvement Plan-II (PIP-II), the Fermilab Booster synchrotron will operate at a higher intensity, increasing from 4.5×1012 to 6.7×1012 protons per pulse [ppp]. A potential challenge for achieving high-intensity performance arises from rapid transverse instabilities induced by electron cloud (EC). This research presents EC simulations using PyECLOUD, which is an advanced computational tool that incorporates measurements of the secondary electron yield (SEY) from the Booster's combined function magnet material. By systematically varying beam parameters in PyECLOUD, such as bunch structure, bunch length, and intensity, the EC effects on beam stability and overall performance of Booster can be predicted.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Collaborative Research: Parametric Instabilities of Alfven Waves in Low‐beta Plasmas

Alfven waves are of fundamental importance in magnetized plasmas. This project aims to advance our understanding of the basic physics of the parametric instabilities of Alfven waves using advanced computer simulations. The results will have implications for important processes in the heliosphere involving Alfven waves, such as coronal heating and solar wind heating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Scaling the SciDAC QuantOm Workflow

As part of the Scientific Discovery through Advanced Computing (SciDAC) program, the Quantum Chromodynamics Nuclear Tomography (QuantOM) project aims to analyze data from Deep Inelastic Scattering (DIS) experiments conducted at Jefferson Lab and the upcoming Electron Ion Collider. The DIS data analysis is performed on an event-level by combining the input from theoretical and experimental nuclear physics into a single, composable workflow. The optimization itself (I.e. fitting the experimental data with theoretical predictions) is carried out by a machine / deep learning algorithm. The size of the acquired DIS data as well as the complexity of the workflow itself require that the analysis is performed across multiple GPUs on high performance computing systems, such as Polaris at Argonne National Laboratory. This presentation discusses the novelties and challenges that came along with parallelizing this workflow. Recent results are compared to common distributed training techniques.

Lersch, Daniel↗
DOE OSTI2024

DOE Final Report on Virginia Tech’s contribution to “Tokamak Disruption Simulation”

This work was performed by Virginia Tech in collaboration with multiple institutions led by Los Alamos National Laboratory as a part of the Tokamak Disruption Simulation SciDAC (Scientific Discovery through Advanced Computing) project supported jointly by the Department of Energy Office of Science and Ad- vanced Scientific Computing Research. This report summarizes Virginia Tech’s contributions to the Sci- DAC project. Virginia Tech researchers (presently University of Washington researchers) focused on the fundamental role of plasma-material interaction on transport, which could then have macroscopic effects on simulations of tokamak disruptions. The plasma sheath, which regulates plasma particle and energy fluxes to the wall, is an essential component in the study of plasma-material interaction (PMI). Understanding sheath theory by accounting for finite sheath thickness and transport in the vicinity of the sheath entrance can sig- nificantly modify typical assumptions that are made in the Bohm speed analysis, where the Bohm speed provides the lower bound of the plasma exit flow speed. Our work provides a modified Bohm speed formu- lation that accounts for the critical role of transport and for applications that are away from the asymptotic limits that are typically assumed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Tokamak Disruption Simulation (Final Technical Report)

The Tokamak Disruption Simulation collaboration was a SciDAC (Scientific Discovery through Advanced Computing) program led by Xianzhu Tang of the Los Alamos National Laboratory but with separate grants to each institution. I was the PI for Columbia University and the only person at Columbia directly funded by this SciDAC. Disruptions are a sudden loss of confinement in tokamaks, and a reliable method of preventing disruptions must be developed before tokamak fusion power plants become feasible. A related plasma confinement concept, the stellarator, is the only way known way of preventing disruptions with the required reliability. The largest devices, both existing and under construction, for confining plasmas for fusion using magnetic fields are tokamaks, so it is important to solve their disruption issues. The sudden loss of confinement in tokamaks can be from a bit of material falling into the plasma, which causes the plasma energy to be quickly lost by radiation, or by an instability causing a breakup of the confining surfaces formed by the magnetic field. This breakup can occur more than a million times faster than one would naively think possible. The sudden breakup of surfaces is called a fast magnetic reconnection and also results in a sudden cooling of the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗