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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

QuarkNet Center Summer Internship for High School Students – FY2019

The purpose of this CRADA is to provide the contractual vehicle for Fermilab to receive funds from the College of DuPage in support of high school student research working with the Fermilab/University of Chicago QuarkNet Center, beginning with the effective date of this CRADA and continuing through 2019. Local QuarkNet Centers provide professional development programs to high school teachers and high energy physics research opportunities to high school teachers and students who participate in the local programs. The Office of Education and Public Engagement at Fermi National Accelerator Laboratory (Fermilab) administers a local QuarkNet Center program on behalf of both Fermilab and the University of Chicago.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

QuarkNet Center Summer Internship for High School Students – FY2022

The purpose of this CRADA is to provide the contractual vehicle for Fermilab to receive funds from the College of DuPage in support of high school student research working with the Fermilab/University of Chicago QuarkNet Center, beginning with the effective date of this CRADA and continuing through 2022. Local QuarkNet Centers provide professional development programs to high school teachers and high energy physics research opportunities to high school teachers and students who participate in the local programs. The Office of Education and Public Engagement at Fermi National Accelerator Laboratory (Fermilab) administers a local QuarkNet Center program on behalf of both Fermilab and the University of Chicago.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

LANL HPC Data Center Monitoring: Summer 2023 Talk [Slides]

Data Center Monitoring is the understanding of everything that happens in the Data Center. Our Ultimate (and probably unreachable) Goal is a holistic view of the Data Center and an understanding of how everything is correlated. We get to that Understanding by collecting logs and metrics, analyzing data, displaying information for customers, and staying alert on events.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Tech-X contributions to the Center for Tokamak Transients (CTTS) Scientific Discovery through Advanced Computing (SciDAC) project (Final Report)

The Center for Tokamak Transients Simulations (CTTS) consists of computational plasma physicists, computer scientists, and applied mathematicians who are together developing and applying simulation software to improve our understanding of and ability to predict and control transient events in tokamak discharges, particularly those that lead to violent disruptions. We have major simulation activities concerning disruptions that are caused by violating ideal MHD stability criteria, vertical displacement events, resistive wall modes, and tearing modes. We are performing comprehensive modeling of disruption mitigation techniques, particularly by shattered pellet injection (SPI). The Center is built around two mature extended MHD codes: NIMROD and M3D-C1. These codes are being extended in a number of ways as required by the demands of disruption modeling, and are being optimized to work well for larger problem size and modern computer architectures as required to model tokamak plasmas with realistic parameters over the required timescales. The codes will be coupled to the FronTier code for state-of-the-art modeling of SPI. Validation with experimental data on DIII-D, NSTX, and JET is being facilitated by rigorous uncertainty quantification (UQ). The high-level objectives of the center are to: (1) Develop better understanding and improved predictive capability of when crossing a linear stability boundary will likely lead to a disruption, (2) Provide a tool for calculating vessel forces, both axisymmetric and non-axisymmetric, for worst case VDE and other disruptions in tokamaks, (3) Develop increased understanding and improved predictive capability for locked mode disruptions and how best to avoid them, (4) Develop, verify, and validate 3D models for disruption mitigation by shattered pellets that can be used to design and optimize a system for future tokamaks, and (5) Increase the efficiency and scalability of the M3D-C1 and NIMROD codes so that they can model disruptions in ITER scale devices using the most powerful DOE HPC hardware, and (6) Demonstrate code-coupling via FronTier coupling with NIMROD and M3D-C1 and by interfacing these codes within a WDM framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗
DOE OSTI2023

San Xavier District Solar Energy Project for Administration Building and Education Center

The San Xavier District of the Tohono O’odham Nation (District) developed grid-tied solar photovoltaic (PV) systems for two tribal buildings: the San Xavier District Administration Building and Education Center. For the Administration Building, an approximately 182-kilowatt (kW) solar PV system is projected to produce roughly 310,000 kilowatt-hours (kWh) per year and displace about 80% of the energy use of the building. For the Education Center, an approximately 73.5-kw system is projected to produce roughly 130,000 kWh per year and displace about 95% of the building’s energy use. The anticipated 25-year cost savings from the combined 255-kW systems are estimated to be approximately $1,750,000 and $820,000 for the Administration Building and the Education Center, respectively.

14 SOLAR ENERGY↗
DOE OSTI2023

Towards a More Effective Hybrid Workforce Culture in a Computationally Focused Research Center

It is essential to Sandia National Laboratory’s continued success in scientific and technological advances and mission delivery to embrace a hybrid workforce culture under which current and future employees can thrive. This report focuses on the findings of the Hybrid Work Team for the Center for Computing Research, which met weekly from March to June 2023 and conducted a survey across the Center at Sandia. Conclusions in this report are drawn from the 9 authors of this report, which comprises the Hybrid Work Team, and 15 responses to a center-wide survey, as well as numerous conversations with colleagues. A major finding was widespread dissatisfaction with the quantity, execution, and tooling surrounding formal meetings with remote participants. While there was consensus that remote work enables people to produce high quality individual and technical work, there was also consensus that there was widespread social disconnect, with particular concern about hires that were made after the onset of the Covid-19 pandemic. There were many concerns about tooling and policy to facilitate remote collaboration both within Sandia and with its external collaborators. This report includes recommendations for mitigating these problems. For problems for which obvious recommendations cannot be made, ideas of what a successful solution might look like are presented.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

QuarkNet Center Summer Internship for High School Students – FY2023

The purpose of this CRADA is to provide the contractual vehicle for Fermilab to receive funds from the College of DuPage in support of high school student research working with the Fermilab/University of Chicago QuarkNet Center, beginning with the effective date of this CRADA and continuing through 2023. Local QuarkNet Centers provide professional development programs to high school teachers and high energy physics research opportunities to high school teachers and students who participate in the local programs. The Office of Education and Public Engagement at Fermi National Accelerator Laboratory (Fermilab) administers a local QuarkNet Center program on behalf of both Fermilab and the University of Chicago.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

HPC Center of the Future: R&D Acquisition Intent

This document contains intended technical requirements for an anticipated future procurement for Lawrence Livermore National Laboratory (LLNL), hereafter referred to as “LLNL” or “the Laboratory”, which seeks to fund a few new and innovative proposals for developing concepts and performing studies that would lead to products available in the 2029-2030 timeframe. Our interest is to incentivize explorations and evaluations of technical capabilities in support of our vision for a High Performance Computing (HPC) center of the future at Livermore Computing (LC), the HPC center at LLNL. To realize this vision a new approach to our approach to acquisition is being considered by LC. The approach is designed to decrease risks for the vendors, while encouraging a broader set of vendors able and we hope willing to partner with LLNL and LC. The future HPC Center vision and acquisition approach was conceived to meet the future mission needs of the Advanced Simulation and Computing (ASC) Program within the National Nuclear Security Administration (NNSA).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

QuarkNet Center Summer Internship for High School Students – FY2024

The purpose of this CRADA is to provide the contractual vehicle for Fermilab to receive funds from the College of DuPage in support of high school student research working with the Fermilab/University of Chicago QuarkNet Center, beginning with the effective date of this CRADA and continuing through 2024. Local QuarkNet Centers provide professional development programs to high school teachers and high energy physics research opportunities to high school teachers and students who participate in the local programs. The Office of Education and Public Engagement at Fermi National Accelerator Laboratory (Fermilab) administers a local QuarkNet Center program on behalf of both Fermilab and the University of Chicago.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM SciDAC) (Technical Final Report)

Runaway electrons can severely damage the plasma facing components on ITER during a major disruption and pose a major risk for tokamak fusion. It has been recognized that an adequate disruption mitigation system (DMS) is essential for the safe operation of ITER. The United States is responsible for the design and implementation of the disruption mitigation system on ITER, and in July 2016 the Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM) was launched by DOE, in a joint Fusion Energy Sciences (FES) and Advanced Scientific Computing Research (ASCR) collaboration. SCREAM was a comprehensive theory and simulation SciDAC center that provided physics guidance in the avoidance and mitigation of runaway electrons, and in tandem with domestic and international experiments, helped establish the qualitative and quantitative bases for safe operational scenarios and viable mitigation techniques. The SCREAM center assembled a national team of experts in runaway electron physics, tokamak disruptions, magnetohydrodynamic (MHD) simulation, and advanced algorithms and computing. The team combined advanced simulation and analysis capability facilitated by direct participation of ASCR SciDAC institutes with theoretical models and code development by FES scientists to focus on the runaway risk for ITER and tokamaks in general. The research scope was focussed on integrated simulations of kinetic runaway electrons, including MHD and fluid models of impurity transport, within a research plan guided by theory. The specific research tasks were (1) establish the fundamental physics of runaway generation, saturation, and dynamical evolution in a tokamak; (2) examine the critical path toward runaway avoidance; and (3) investigate the viability and effectiveness of the leading candidate schemes for runaway mitigation. In all three areas, members of the team carried out scoping studies that established the readiness for rapid and critical advances, especially in the deployment and further development of large-to extreme-scale simulation tools. Our multi-pronged computational approach included (1) relativistic Fokker-Planck solvers with discretization in phase space, (2) self-consistent particle-in-cell techniques, (3) particle-based Monte-Carlo, and (4) MHD-particle hybrid simulations. Cross-check between these different methods provided an additional means for verification and further bolstered the fidelity of our physics prediction. Validation against experimental results brings confidence to the predictive capability for ITER and frequently leads to new ideas for understanding and mitigating the thermal quench driven runaway electron phenomenon.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Center of Excellence for Operational Technology

The Center of Excellence for Operational Technology Traditional Presentation Abstract 2025 National Laboratories Information Technology Summit | Denver, CO Traditional Presentation Session Managing cybersecurity risk in Operational Technology (OT) presents a significant challenge across the Department, and critically, at many of the national laboratories. This includes IT-OT convergence, aging OT systems, cost of updating OT systems, and increased Advanced Persistent Threat efforts against OT including the 16 critical infrastructure sectors as listed in Presidential Policy Directive 21. DoE’s Office of Science and NNSA’s Office of the Chief Information Officer are taking the lead in addressing this challenge to include critical systems, by establishing the Center of Excellence (CoE) for Operational Technology. Championed by NNSA Deputy Chief Information Officer Steven McAndrews and the Office of Science Chief Information Officer Shila Cooch, the CoE for OT was chartered in February 2025 to address the challenges of OT cybersecurity and compliance. The CoE for OT will create partnerships and leverage expertise from across the NNSA National Security Enterprise and DOE Labs, Plants and Sites. The CoE will also collaborate with colleagues in other government agencies, industry partners and academia. The CoE for OT discussion at the National Laboratories Information Technology Summit ’25 will include the genesis of the CoE, stated goals, organizational structure, and the effort to attract OT subject matter experts to join the CoE effort to share knowledge and expertise. The discussion will include opportunities to get involved and contribute to this important effort. This session will be led by CoE for OT Co-Chairs Matt Kwiatkowski, Fermi National Laboratory Chief Information Security Officer, and Steven Weldon, Savannah River National Laboratory Cyber Program Director at the Georgia Cyber Center. The session will be of particular interest to CIOs, CTOs, CISOs, as well as IT and OT practitioners.

Kwiatkowski, Matt [Fermilab]↗
DOE OSTI2025

Detecting rare earth elements via optically detected magnetic resonance (ODMR) and spin-relaxometry using nitrogen vacancy centers in nanodiamonds

Nanodiamonds embedded with nitrogen-vacancy (NV) centers are emerging as powerful tools in quantum sensing due to their remarkable sensitivity to local variations in electromagnetic fields, temperature, and pressure. These point defects in the diamond lattice can be probed using optically detected magnetic resonance (ODMR) and spin relaxometry techniques, allowing for the detection and characterization of magnetic nanoparticles and ions. The sensing mechanism relies on laser-induced excitation of the NV center's non-degenerate triplet ground state, which promotes electrons to an excited state. Subsequent photoluminescence (PL) emission, which is spin-state dependent, is then measured. These spin states are highly responsive to magnetic perturbations in the surrounding environment. By analyzing changes in the ODMR spectra and spin relaxation times, we can effectively monitor how magnetic species influence the NV center's spin dynamics, thus enabling sensitive and selective characterization of nanoscale magnetic materials. These techniques have been applied for the characterization of transition metals and rare earth elements which shows natural ferromagnetic properties.

magnetic nanopartgicles and ions↗
DOE OSTI2025

Center for Wind Energy

The purpose was to establish the physical infrastructure and additional measurement equipment for a center focused on wind energy research, education, technology development and community outreach. The Center is located on the Richardson campus of UTD. The Center for Wind Energy will bring together university, civic and industry partners to create and test new technologies to realize the potential of wind to support the energy needs of the nation.

17 WIND ENERGY↗
DOE OSTI2026

Assembly and Repair of the Photosystem II Reaction Center

This project investigated the biochemical and biophysical mechanisms governing assembly and repair of Photosystem II (PSII), the membrane protein complex responsible for solar-driven water oxidation in oxygenic photosynthesis. The work focused on three integrated areas: (1) protein–protein interactions that facilitate PSII assembly in cyanobacterial biogenesis centers, (2) the chemical mechanism of photo-assembly of the Mn 4 CaO 5 oxygen-evolving complex (OEC), and (3) mechanisms that target PSII reaction centers for degradation and repair in photosynthetic organisms. Using electron paramagnetic resonance spectroscopy, protein biochemistry, molecular genetics, quantitative mass spectrometry, and computational modeling, the project demonstrated that proton release events limit early steps of OEC assembly and that chloride and calcium ions facilitate Mn oxidation and intermediate stabilization. Complementary studies identified chaperone recruitment mechanisms in cyanobacterial PSII biogenesis centers and translation and protease factors involved in PSII turnover in Chlamydomonas. Together, these results establish proton management and coordinated protein quality control as central design principles in PSII assembly and repair and provide mechanistic insight relevant to biological and artificial photosynthetic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Rational design of photosynthetic reaction center protein maquettes

New technologies for efficient solar-to-fuel energy conversion will help facilitate a global shift from dependence on fossil fuels to renewable energy. Nature uses photosynthetic reaction centers to convert photon energy into a cascade of electron-transfer reactions that eventually produce chemical fuel. The design of new reaction centers de novo deepens our understanding of photosynthetic charge separation and may one day allow production of biofuels with higher thermodynamic efficiency than natural photosystems. Recently, we described the multi-step electron-transfer activity of a designed reaction center maquette protein (the RC maquette), which can assemble metal ions, tyrosine, a Zn tetrapyrrole, and heme into an electron-transport chain. Here, we detail our modular strategy for rational protein design and show that the intended RC maquette design agrees with crystal structures in various states of assembly. A flexible, dynamic apo-state collapses by design into a more ordered holo-state upon cofactor binding. Crystal structures illustrate the structural transitions upon binding of different cofactors. Spectroscopic assays demonstrate that the RC maquette binds various electron donors, pigments, and electron acceptors with high affinity. We close with a critique of the present RC maquette design and use electron-tunneling theory to envision a path toward a designed RC with a substantially higher thermodynamic efficiency than natural photosystems.

09 BIOMASS FUELS↗
DOE OSTI2024

Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity

We report the biochemical, structural, and functional characterization of the protein coded by gene PA4880 in the P. aeruginosa PAO1 genome. The PA4880 gene had been annotated as coding a probable bacterioferritin. Our structural work shows that the product of gene PA4880 is a protein that adopts the Dps subunit fold, which oligomerizes into a 12-mer quaternary structure. Unlike Dps, however, the ferroxidase di-iron centers and iron coordinating ligands are buried within each subunit, in a manner identical to that observed in the ferroxidase center of P. aeruginosa bacterioferritin. Since these structural characteristics correspond to Dps-like proteins, we term the protein as P. aeruginosa Dps-like, or Pa DpsL. The ferroxidase centers in Pa DpsL catalyze the oxidation of Fe 2+ utilizing O 2 or H 2 O 2 as oxidant, and the resultant Fe 3+ is compartmentalized in the interior cavity. Interestingly, incubating Pa DpsL with plasmid DNA results in efficient nicking of the DNA and at higher concentrations of Pa DpsL the DNA is linearized and eventually degraded. The nickase and endonuclease activities suggest that Pa DpsL, in addition to participating in the defense of P. aeruginosa cells against iron-induced toxicity, may also participate in the innate immune mechanisms consisting of restriction endonucleases and cognate methyl transferases.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Energy efficient data center liquid cooling with geothermal enhancement

A data center cooling system is operated in a first mode, has an indoor portion wherein heat is absorbed from components in the data center by a heat transfer fluid, and has an outdoor heat exchanger portion and a geothermal heat exchanger portion. The first mode includes ambient air cooling of the heat transfer fluid in the outdoor heat exchanger portion and/or geothermal cooling of the heat transfer fluid in the geothermal heat exchanger portion. Based on an appropriate metric, a determination is made that a switch should be made from the first mode to a second, different, mode; and, responsive thereto, the data center cooling system is switched to the second mode. The second mode includes at least another of ambient air cooling of the heat transfer fluid in the outdoor heat exchanger portion and geothermal cooling of the heat transfer fluid in the geothermal heat exchanger portion.

15 GEOTHERMAL ENERGY↗