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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 OSTI2021

Reflectometry with Polarized Neutrons on In Situ Grown Thin Films

Originating from the demand for obtaining depth-resolved magnetization profiles from thin films and heterostructures, polarized neutron reflectometry (PNR) has developed into a unique research tool, which also finds application in the analysis of superconducting or soft matter thin films. While certain in situ sample environments such as gas-loading or humidity cells were quickly realized after PNR first emerged, preparing and growing thin magnetic films directly in the neutron beam could only be realized in recent years. Herein, a dedicated insight is given on the history and development of in situ thin film growth capabilities for PNR, from early pioneering experiments to the present day. The scientific and technological challenges as well as the advances of neutron sources, neutronics, and data treatment that have led to its realization are highlighted together with the unique research opportunities that it provides and recently obtained experimental results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Using nuclear observations to improve climate research and GHG emission estimates – the NuClim project

Project NuClim (Nuclear observations to improve Climate research and GHG emission estimates) aims to use high-quality measurements of atmospheric radon activity concentration and ambient radioactivity to advance climate science and improve radiation protection and nuclear surveillance capabilities. It is supported by new metrological capabilities developed in the EMPIR project 19ENV01 traceRadon. This work reviews the scientific objectives of project NuClim in terms of both climate science and radiological protection, and provides an overview of the NuClim field campaign and the various nuclear measurements being implemented within the scope of the project.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Opportunities for gas-phase science at short-wavelength free-electron lasers with undulator-based polarization control

Free-electron lasers (FELs) are the world's most brilliant light sources with rapidly evolving technological capabilities in terms of ultrabright and ultrashort pulses over a large range of photon energies. Their revolutionary and innovative developments have opened new fields of science regarding nonlinear light-matter interaction, the investigation of ultrafast processes from specific observer sites, and approaches to imaging matter with atomic resolution. A core aspect of FEL science is the study of isolated and prototypical systems in the gas phase with the possibility of addressing well-defined electronic transitions or particular atomic sites in molecules. Notably for polarization-controlled short-wavelength FELs, the gas phase offers new avenues for investigations of nonlinear and ultrafast phenomena in spin-orientated systems, for decoding the function of the chiral building blocks of life as well as steering reactions and particle emission dynamics in otherwise inaccessible ways. This roadmap comprises descriptions of technological capabilities of facilities worldwide, innovative diagnostics and instrumentation, as well as recent scientific highlights, novel methodology, and mathematical modeling. The experimental and theoretical landscape of using polarization controllable FELs for dichroic light-matter interaction in the gas phase will be discussed and comprehensively outlined to stimulate and strengthen global collaborative efforts of all disciplines. Published by the American Physical Society 2025

Ilchen, Markus↗
DOE OSTI2022

Developing in-situ capabilities for synchrotron light source relevant to PNNL mission research areas

The main objective of the proposed research is to engage synchrotron light source capabilities to address the critical mission areas at PNNL. We have carried out Multi-model chemical analysis and imaging to unravel the role of surface chemistry during realistic heterogeneous interfacial processes - through a close collaboration that will help BES and BER research projects. In particular, we performed the following activities to understand role of surface chemistry on metal and oxide reactivity and metal ion transfer across oxide surface and aqueous solutions: 1) Perform light source experiments utilizing samples generated at PNNL; 2) Develop early career PNNL scientists utilizing light sources; 3) Build collaborations with ALS scientists in developing new in-situ capabilities; 4) Complete AMBER capabilities in collaboration with ALS scientists and make those available to the scientific community including PNNL scientists.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Development of a colinear Second-Harmonic Orthogonal Polarization (SHOP) interferometer for electron areal density measurements in Magnetically Insulated Transmission Lines (MITLs)

Experimental measurements of low density plasmas forming in Magnetically Insulated Transmission Line (MITL) regions are desired to improve our understanding of current loss and power flow. Therefore, a new optical interferometer diagnostic was commissioned via this LDRD project. To measure the expected 10 13 - 10 17 cm -3 electron densities inside the 0.5 - 6 mm Anode-Cathode (A-K) gaps, a colinear SHOP interferometer diagnostic was constructed. The diagnostic was initially fielded on the University of New Mexico (UNM) Helicon-Cathode (HelCat) plasma device which provided a highly repeatable and well understood plasma source for which the colinear SHOP interferometer’s functionality could be verified and measured. Utilizing the highly repeatable plasma source and shot averaging, the interferometer was able to achieve an areal density sensitivity of 1×10 14 cm -2 . This work at UNM lead to a Review of Scientific Instruments (RSI) publication [20], DOI:10.1063/5.0101687. After the diagnostic’s capability was proven at UNM, the colinear SHOP interferometer was commissioned for use on the Sandia National Laboratories (SNL) Mykonos accelerator. Here, it provided the first temporal areal density measurements of plasma formation in a parallel plate MITL. The diagnostic was able to achieve a single shot (no multi-shot averaging like at UNM) areal density sensitivity of 1×10 15 cm -2 along a ~ 2mm probing path length, which provided adequate capability to conduct fundamental physics research of MITL plasma formation. CHICAGO and ALEGRA simulations support the diagnostics experimental findings. More experimental and computational work will continue, likely leading to another publication(s). The smaller scale Mykonos accelerator work has also provided justification that the colinear SHOP interferometer is a capable diagnostic for measuring plasma areal densities in the inner MITL and convolute regions of larger TW-class accelerators like SNL’s Z machine.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

DuraMAT Data Hub

The DuraMAT Data Hub has been supporting the consortium for the past six years. The Data Hub has had success in supporting the projects, providing a platform for sharing data within projects and to the public, and learning how to better leverage the existing software platform and the available Amazon Web Services environment. During this new generation of the Data Hub, we are looking at ways to help improve the data hub architecture, user experience, and improve operations by taking advantage of new technology platforms and software that will be more impactful on the consortium researchers and the broader scientific community. In this poster we will look at the current operational capabilities, data dissemination, and development that will improve the system in the near and far future.

14 SOLAR ENERGY↗
DOE OSTI2026

Intern-Artificial Intelligence Benchmarking

Benchmarks provide a standardized method for evaluating different AI models, enabling reproducibility and comparison between models, and facilitating scientific progress. As AI models continue to develop rapidly, incorporating new datasets, capabilities, and architectures becomes more complicated. Therefore, the current static benchmarks become increasingly irrelevant. The MLCommons team argues that to make AI benchmarks more relevant, it involves making the benchmarks themselves more dynamic, as well as technical innovations that make it easier for scientists and researchers at all levels to use and contribute to the benchmarks. The current progress in technical innovation is a software that allows for a detailed view of a collection of AI benchmarks to be output in various formats that are easily readable and accessible.

Krishnan, Anjay [Fermilab]↗
DOE OSTI2025

Accelerating discoveries at DIII-D with the Integrated Research Infrastructure

DIII-D research is being accelerated by leveraging high performance computing (HPC) and data resources available through the National Energy Research Scientific Computing Center (NERSC) Superfacility initiative. As part of this initiative, a high-resolution, fully automated, whole discharge kinetic equilibrium reconstruction workflow was developed that runs at the NERSC for most DIII-D shots in under 20 min. This has eliminated a long-standing research barrier and opened the door to more sophisticated analyses, including plasma transport and stability. These capabilities would benefit from being automated and executed within the larger Department of Energy Advanced Scientific Computing Research program’s Integrated Research Infrastructure (IRI) framework. The goal of IRI is to empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation. For transport, we are looking at producing flux matched profiles and also using particle tracing to predict fast ion heat deposition from neutral beam injection before a shot takes place. Our starting point for evaluating plasma stability focuses on the pedestal limits that must be navigated to achieve better confinement. This information is meant to help operators run more effective experiments, so it needs to be available rapidly inside the DIII-D control room. So far this has been achieved by ensuring the data is available with existing tools, but as more novel results are produced new visualization tools must be developed. In addition, all of the high-quality data we have generated has been collected into databases that can unlock even deeper insights. This has already been leveraged for model and code validation studies as well as for developing AI/ML surrogates. The workflows developed for this project are intended to serve as prototypes that can be replicated on other experiments and can be run to provide timely and essential information for ITER, as well as next stage fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The First Neptunium Dioxide Neutron Diffraction Experiment at HFIR

Here we present the first neutron diffraction experiment of a 50 mg sample of neptunium(IV) dioxide (NpO 2 ) powder at the High Flux Isotope Reactor (HFIR) using the wide-angle neutron diffractometer (WAND 2 ) HB-2C. We also provide a brief literature survey to pinpoint gaps in the crystal, electronic, and magnetic structure of NpO 2 to determine the optimum experiment to be pursued in the next HFIR user proposal cycle. Characterizing actinide materials with neutron diffraction, inelastic scattering, neutron imaging, polarized neutron studies, and small-angle neutron scattering techniques will increase our understanding of 5f electron behavior and elucidate atomic and magnetic structural properties. This strategy will help fill gaps in the literature and provide theoretical physicists with the data needed to build physical and chemical models to guide and validate computational methods. These methods may be used for predicting structural and chemical features of actinide-based materials. This proof-of-principle effort begins to uncover how to advance actinide science and technology at Oak Ridge National Laboratory (ORNL) using neutron capabilities. This effort has already sparked collaborative discussions between researchers outside the Radioisotope Science and Technology Division, including theoretical physicists from the Nuclear Nonproliferation Division and beamline scientists in the Neutron Scattering Division. We intend to continue pursuing neutron experiments and develop a scientific strategy focused on studying transuranium elements (e.g., Np, Pu, Am, and Cm) using the advanced neutron capabilities at ORNL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

From legacy contamination to watershed systems science: a review of scientific insights and technologies developed through DOE-supported research in water and energy security

Abstract Water resources, including groundwater and prominent rivers worldwide, are under duress because of excessive contaminant and nutrient loads. To help mitigate this problem, the United States Department of Energy (DOE) has supported research since the late 1980s to improve our fundamental knowledge of processes that could be used to help clean up challenging subsurface problems. Problems of interest have included subsurface radioactive waste, heavy metals, and metalloids (e.g. uranium, mercury, arsenic). Research efforts have provided insights into detailed groundwater biogeochemical process coupling and the resulting geochemical exports of metals and nutrients to surrounding environments. Recently, an increased focus has been placed on constraining the exchanges and fates of carbon and nitrogen within and across bedrock to canopy compartments of a watershed and in river–floodplain settings, because of their important role in driving biogeochemical interactions with contaminants and the potential of increased fluxes under changing precipitation regimes, including extreme events. While reviewing the extensive research that has been conducted at DOE’s representative sites and testbeds (such as the Oyster Site in Virginia, Savannah River Site in South Carolina, Oak Ridge Reservation in Tennessee, Hanford in Washington, Nevada National Security Site in Nevada, Riverton in Wyoming, and Rifle and East River in Colorado), this review paper explores the nature and distribution of contaminants in the surface and shallow subsurface (i.e. the critical zone) and their interactions with carbon and nitrogen dynamics. We also describe state-of-the-art, scale-aware characterization approaches and models developed to predict contaminant fate and transport. The models take advantage of DOE leadership-class high-performance computers and are beginning to incorporate artificial intelligence approaches to tackle the extreme diversity of hydro-biogeochemical processes and measurements. Recognizing that the insights and capability developments are potentially transferable to many other sites, we also explore the scientific implications of these advances and recommend future research directions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Expanding Scientific Horizons Through High Field Dynamic Nuclear Polarization with Advanced Organic BiRadicals

This project aimed to advance the capabilities of high-field Dynamic Nuclear Polarization (DNP) Nuclear Magnetic Resonance (NMR) spectroscopy at 800 MHz through the synthesis and evaluation of novel biradicals. While the targeted HyTEK biradical synthesis faced significant challenges, alternative efforts focused on synthesizing intermediate compounds and exploring alternative biradicals. A portion of the BDPA precursor was successfully converted into BDPA-TEMPO, though further DNP testing could not be completed within the project timeline. Benchmarking experiments with existing biradicals, including TEKPol and M-TinyPol, were conducted to evaluate their performance under high-field conditions. These efforts provided valuable insights into DNP enhancements, refined operational protocols for high-field experiments, and established benchmarks for future polarizing agent development.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enabling discovery data science through cross-facility workflows

Experimental and observational instruments for scientific research (such as light sources, genome sequencers, accelerators, telescopes and electron microscopes) increasingly require High Performance Computing (HPC) scale capabilities for data analysis and workflow processing. Next-generation instruments are being deployed with higher resolutions and faster data capture rates, creating a big data crunch that cannot be handled by modest institutional computing resources. Often these big data analysis pipelines also require near real-time computing and have higher resilience requirements than the simulation and modeling workloads more traditionally seen at HPC centers. While some facilities have enabled workflows to run at a single HPC facility, there is a growing need to integrate capabilities across HPC facilities to enable cross-facility workflows, either to provide resilience to an experiment, increase analysis throughput capabilities, or to better match a workflow to a particular architecture. In this paper we describe the barriers to executing complex data analysis workflows across HPC facilities and propose an architectural design pattern for enabling scientific discovery using cross-facility workflows that includes orchestration services, application programming interfaces (APIs), data access and co-scheduling.

Antypas, Katerina B.↗
DOE OSTI2024

DIRAC current, upcoming and planned capabilities and technologies

DIRAC is the interware for building and operating large scale distributed computing systems. It is adopted by multiple collaborations from various scientific domains for implementing their computing models. DIRAC provides a framework and a rich set of ready-to-use services for Workload, Data and Production Management tasks of small, medium and large scientific communities having different computing requirements. The base functionality can be easily extended by custom components supporting community specific workflows. DIRAC is at the same time an aging project, and a new DiracX project is taking shape for replacing DIRAC in the long term. This contribution will highlight DIRAC’s current, upcoming and planned capabilities and technologies, and how the transition to DiracX will take place. Examples include, but are not limited to, adoption of security tokens and interactions with Identity Provider services, integration of Clouds and High Performance Computers, interface with Rucio, improved monitoring and deployment procedures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

PIP-II Particle Accelerator Project

The PIP-II project is an essential upgrade of Fermilab’s particle accelerator complex. Groundbreaking occurred in March 2019. The upgrade will enable Fermilab’s accelerators to generate an unprecedented stream of neutrinos—subtle, subatomic particles that could hold the key to understanding the universe’s evolution—by creating the world’s most intense high-energy neutrino beams. This capability positions Fermilab to be the world leader in accelerator-based neutrino research. It enables the scientific program for the international, Fermilab-hosted Deep Underground Neutrino Experiment (DUNE) and Long-Baseline Neutrino Facility (LBNF). The key to PIP-II is power. When the PIP-II project is complete, Fermilab will be able to generate proton beams greater than 1 megawatt—60 percent higher than current capabilities. These powerful beams of protons will in turn create intense beams of neutrinos. Future PIP-II upgrades will triple the lab’s current beam power. PIP-II’s high-intensity proton beams will provide a flexible platform for the long-term future of the Fermilab accelerator complex and the U.S. accelerator-based particle physics program.

Fermilab, Fermilab↗
DOE OSTI2026

Mixed-precision numerics in scientific applications: survey and perspectives

The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision capabilities, which can achieve performance improvements of up to 8x compared to double-precision in extreme compute-intensive workloads, remain largely untapped in most scientific applications. A growing number of efforts have shown that mixed-precision algorithmic innovations can deliver superior performance without sacrificing accuracy. These developments should prompt computational scientists to seriously consider whether their scientific modeling and simulation applications could benefit from the acceleration offered by new hardware and mixed-precision algorithms. In this survey, we (1) review progress across diverse scientific domains—fluid dynamics, weather and climate, quantum chemistry, and computational genomics—that have begun adopting mixed-precision strategies; (2) examine state-of-the-art algorithmic techniques such as iterative refinement, splitting and emulation schemes, and adaptive precision solvers; (3) assess their implications for accuracy, performance, and resource utilization; and (4) survey the emerging software ecosystem that enables mixed-precision methods at scale. We conclude with perspectives and recommendations on cross-cutting opportunities, domain-specific challenges, and the role of co-design between application scientists, numerical analysts, and computer scientists. Collectively, this survey underscores that mixed-precision numerics can reshape computational science by aligning algorithms with the evolving landscape of hardware capabilities.

Graphics processing units↗
DOE OSTI2020

First Experiments: New Science Opportunities at the Spallation Neutron Source Second Target Station (abridged)

This brochure is an abridged version of a more comprehensive companion report. DOE proposes to build a Second Target Station (STS) at SNS to produce beams of cold neutrons with world-leading peak brightness at a repetition rate of 15 Hz, providing broad energy/wavelength ranges that can be used simultaneously. Construction of the STS will provide transformative capabilities that allow thousands of users from national laboratories, universities, and industry to address grand scientific challenges [Hemminger 2015], advance energy research, and accelerate industrial innovations through the combination of cold (long-wavelength) neutrons of unprecedented peak brightness and short neutron pulses with broad ranges of usable wavelengths or energy. The STS Project, now in progress at ORNL, will design, construct, install, and commission the facilities and equipment needed to create a world-leading source of cold neutrons of unprecedented peak brightness at SNS. Key aspects of the STS design, including preliminary descriptions of an illustrative suite of eight instruments, are presented in the section “The STS at SNS.” The capabilities offered by the STS instruments (22 when fully built out) will complement those of the FTS and HFIR, providing the United States with unparalleled resources for neutron scattering at the world’s leading high–peak brightness cold neutron source.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Overview of the EUROfusion Tokamak Exploitation programme in support of ITER and DEMO

Within the 9th European Framework programme, since 2021 EUROfusion is operating five tokamaks under the auspices of a single Task Force called ‘Tokamak Exploitation’. The goal is to benefit from the complementary capabilities of each machine in a coordinated way and help in developing a scientific output scalable to future largre machines. The programme of this Task Force ensures that ASDEX Upgrade, MAST-U, TCV, WEST and JET (since 2022) work together to achieve the objectives of Missions 1 and 2 of the EUROfusion Roadmap: i) demonstrate plasma scenarios that increase the success margin of ITER and satisfy the requirements of DEMO and, ii) demonstrate an integrated approach that can handle the large power leaving ITER and DEMO plasmas. The Tokamak Exploitation task force has therefore organized experiments on these two missions with the goal to strengthen the physics and operational basis for the ITER baseline scenario and for exploiting the recent plasma exhaust enhancements in all four devices (PEX: Plasma EXhaust) for exploring the solution for handling heat and particle exhaust in ITER and develop the conceptual solutions for DEMO. The ITER Baseline scenario has been developed in a similar way in ASDEX Upgrade, TCV and JET. Key risks for ITER such as disruptions and run-aways have been also investigated in TCV, ASDEX Upgrade and JET. Experiments have explored successfully different divertor configurations (standard, super-X, snowflakes) in MAST-U and TCV and studied tungsten melting in WEST and ASDEX Upgrade. The input from the smaller devices to JET has also been proven successful to set-up novel control schemes on disruption avoidance and detachment.

ASDEX upgrade↗
DOE OSTI2021

Interactive Supercomputing With Jupyter

Rich user interfaces like Jupyter have the potential to make interacting with a supercomputer easier and more productive, consequently attracting new kinds of users and helping to expand the application of supercomputing to new science domains. For the scientist-user, the ideal rich user interface delivers a familiar, responsive, introspective, modular, and customizable platform upon which to build, run, capture, document, re-run, and share analysis workflows. From the provider or system administrator perspective, such a platform would also be easy to configure, deploy securely, update, customize, and support. Jupyter checks most if not all of these boxes. But from the perspective of leadership computing organizations that provide supercomputing power to users, such a platform should also make the unique features of a supercomputer center more accessible to users and more composable with high performance computing (HPC) workflows. Project Jupyter’s core design philosophy of extensibility, abstraction, and agnostic deployment, has allowed HPC centers like NERSC to bring in advanced supercomputing capabilities that can extend the interactive notebook environment. This has enabled a rich scientific discovery platform, particularly for experimental facility data analysis and machine learning problems.

97 MATHEMATICS AND COMPUTING↗