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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Emerging applications: Neuromorphic computing and reservoir computing

The emergence of doped hafnium oxide (HfO 2 )-based ferroelectric films has enabled highly scalable and silicon-compatible ferroelectric devices, opening new frontiers in neuromorphic and reservoir computing. Among these, ferroelectric field-effect transistors (FeFETs) are particularly promising due to their analog memory characteristics and unique polarization dynamics. These properties make FeFETs ideal candidates for artificial synapses in neuromorphic architectures, supporting deep neural networks and spiking neural networks based on leaky-integrate-and-fire (LIF) mechanisms. Beyond neuromorphic computing, FeFETs also play a crucial role in physical reservoir computing, leveraging their intrinsic nonlinear and history-dependent behavior for efficient real-time learning. This approach offers significant advantages for time-series processing and edge artificial intelligence (AI) applications, addressing the growing need for energy-efficient computing. As a result, this article explores the principles, key demonstrations, and future potential of FeFET-based neuromorphic and reservoir computing, highlighting their impact on next-generation AI hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Generalized Green’s function Cluster Expansion: A Python package for simulating polarons

We present an efficient implementation of the Generalized Green’s function Cluster Expansion (GGCE), which is a new method for computing the ground-state properties and dynamics of polarons (single electrons coupled to lattice vibrations) in model electron-phonon systems. The GGCE works at arbitrary temperature and is well suited for a variety of electron-phonon couplings, including, but not limited to, site and bond Holstein and Peierls (Su-SchriefferHeeger) couplings, and couplings to multiple phonon modes with different energy scales and coupling strengths. Quick calculations can be performed efficiently on a laptop using solvers from NumPy and SciPy, or in parallel at scale using the PETSc sparse linear solver engine.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Effects of Gamma Irradiation on EPDM Elastomers (Revision 1)

Two formulations of EPDM elastomer, one substituting a UV stabilizer for the normal antioxidant in this polymer, and the other the normal formulation, were synthesized and samples of each were exposed to gamma irradiation in initially pure deuterium gas to compare their radiation stability. Stainless steel containers having rupture disks were designed for this task. After 130 MRad dose of cobalt-60 radiation in the SRNL Gamma Irradiation Facility, a significant amount of gas was created by radiolysis; however the composition indicated by mass spectroscopy indicated an unexpected increase in the total amount deuterium in both formulations. The irradiated samples retained their ductility in a bend test. No change of sample weight, dimensions, or density was observed. No change of the glass transition temperature as measured by dynamic mechanical analysis was observed, and most of the other dynamic mechanical properties remained unchanged. There appeared to be an increase in the storage modulus of the irradiated samples containing the UV stabilizer above the glass transition, which may indicate hardening of the material by radiation damage. Revision 1 adds a comparison with results of a study of tritium exposed EPDM. The amount of gas produced by the gamma irradiation was found to be equivalent to about 280 days exposure to initially pure tritium gas at one atmosphere. The glass transition temperature of the tritium exposed EPDM rose about 10°C. over 280 days, while no glass transition temperature change was observed for gamma irradiated EPDM. This means that gamma irradiation in deuterium cannot be used as a surrogate for tritium exposure.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Study Magnetic Excitations in Doped Transition Metal Oxides Using Inelastic Neutron Scattering

Understanding the interplay between magnetism and superconductivity continues to be a “hot” topic in modern condensed matter physics. The discovery of high-temperature superconductivity in iron-based materials in 2008 provided an unique opportunity to compare and contrast these materials with traditional high-T c copper oxide superconductors. Neutron scattering plays an important role in determining the dynamical spin properties in these materials. This proposal is a continuation of previous DOE supported proposal. This report summarizes the final progress we have made over from May 2005 till Aug. 2013. Overall, we continue to carry out extensive neutron scattering experiments on Fe-based materials, focusing on understanding their magnetic properties. In addition, we have established a materials laboratory at UT that has allowed us to grow these superconductors. Because neutron scattering typically demands a large amount of samples, by growing these materials in our own laboratory, we can now pursuit neutron scattering experiments over the entire electronic phase diagram, focusing on regions of interests. The material synthesis laboratory at UT was established entirely with the support of DOE funding. This not only allowed us to carry out neutron scattering experiments, but also permit us to provide samples to other US/International collaborators for studying these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Detailed Studies of Hydrocarbon Radicals: C 2 H Dissociation

The goal of this research at its outset was a chemical physics investigation of C 2 H properties: spectroscopy, dynamics (including non-adiabatic), thermodynamics, etc. using mainly the Rydberg-tagging technique that had been a mainstay of my laboratory for two decades. We encountered a number of technical obstacles that bogged us down for about a year and a half before switching to a very different approach. It was believed that the new approach would yield the UV absorption spectrum of cold, gas-phase C 2 H. It involved using a cold CO 2 matrix (which does not react with C 2 H) to simultaneously prepare the radical and propel it into vacuum. Many things happened. There was no shortage of data, and interesting phenomena were uncovered. About the only thing that did not happen was a clean UV spectrum of C 2 H. I would say, to put it bluntly, that from the perspective of our original goal the whole effort was a colossal failure. I rarely come up empty handed, but I did this time. Excuses are a dime a dozen, so let's just say that things like this happen every so often.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Seismic Data Gathering and Validation

Three recent earthquakes in the last seven years have exceeded their design basis earthquake values (so it is implied that damage to SSC’s should have occurred). These seismic events were recorded at North Anna (August 2011, detailed information provided in [Virginia Electric and Power Company Memo]), Fukushima Daichii and Daini (March 2011 [TEPCO 1]), and Kaswazaki-Kariwa (2007, [TEPCO 2]). However, seismic walk downs at some of these plants indicate that very little damage occurred to safety class systems and components due to the seismic motion. This report presents seismic data gathered for two of the three events mentioned above and recommends a path for using that data for two purposes. One purpose is to determine what margins exist in current industry standard seismic soil-structure interaction (SSI) tools. The second purpose is the use the data to validated seismic site response tools and SSI tools. The gathered data represents free field soil and in-structure acceleration time histories data. Gathered data also includes elastic and dynamic soil properties and structural drawings. Gathering data and comparing with existing models has potential to identify areas of uncertainty that should be removed from current seismic analysis and SPRA approaches. Removing uncertainty (to the extent possible) from SPRA’s will allow NPP owners to make decisions on where to reduce risk. Once a realistic understanding of seismic response is established for a nuclear power plant (NPP) then decisions on needed protective measures, such as SI, can be made.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Exploring Electric Polarization Mechanisms in Multiferroic Oxides

Multiferroic oxides are a class of systems which exhibit coupling between the electrical polarization and the magnetization. These materials show promise to lead to devices in which ferromagnetic memory can be written with magnetic fields or magnetic bits can be written by an electric field. The work conducted in our research focuses on single phase materials. We studied the detailed coupling of the spin and lattice correlations in these systems. In the first phase of the proposal, we explored the complex spin spiral systems and low temperature behavior of hexagonal layered REMnO 3 (RE= rare earth, Y and Sc) system following the detailed structural changes which occurred on crossing into the magnetic states. The techniques were applied to other layered materials such as superconductors and thermoelectric where the same layered motif exists. The second phase of the proposal focused on understanding the mechanisms involved in the onset high temperature ferroelectricity ion hexagonal REMnO 3 and at low temperature in E-Type magnetic ordered perovskite REMnO 3 . We wsynthesized preovskite small A site multiferroics by high pressure and high temperature methods. Detailed measurement of the structural properties and dynamics were conducted over a range of length scales from atomic to mesoscopic scale using, x-ray absorption spectroscopy, x-ray diffuse scattering, x-ray and neutron pair distribution analysis and high resolution x-ray diffraction. Changes in vibration modes which occur with the onset of polarization were probed with temperature and pressure dependent infrared absorption spectroscopy. In addition the orthorhombic system (small radius RE ions) which is believed to exhibit electronically driven ferroelectricity and is also not understood was examined. The multiple length scale synchrotron based measurements may assist in developing more detailed models of these materials and possibly lead to device applications. The experimental work was complemented by density functional methods to determine the magnetic ground states and ab initio molecular dynamics methods (AIMD) to determine the high temperature structures. Simulation were carried out on supercomputers at the National Energy Research Scientific Computing Center (NERSC). An important contribution of this work was the training of graduate students and postdoctoral researchers in materials synthesis, high pressure methods and synchrotron based spectroscopy and x-ray scattering techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Coal-Powered Electric Generating Unit Efficiency and Reliability Dialogue: Summary Report

Coal continues to play a critical role in powering the Nation’s electricity generation, especially for baseload power plants. With aging coal generation assets facing decreased performance due to the state of the equipment, and with challenges exacerbated by the current market pressures on the coal sector, there are opportunities to advance early-stage technologies that can retrofit or replace equipment components. These changes will eventually result in significant improvements in plant performance once further developed and deployed by industry. Research and development in areas such as materials, fluid dynamics, fuel properties and preparation characteristics, and a new generation of plant controls can lead to new components and systems that can help improve the efficiency and reliability of coal-fired power plants significantly, allowing these assets to continue to provide baseload power. Coal stockpiles at electricity generation plants are typically large enough to provide 30 to 60 days of power prior to resupply—significantly enhancing the stability and reliability of the U.S. electricity sector. Falling prices for non-dispatchable renewable energy and mounting environmental regulations, among other factors, have stimulated efforts to improve the efficiency of these coal-fired electric generating units (EGUs). In addition, increased reliance on natural gas and non-dispatchable energy sources has spurred efforts to further increase the reliability of coal EGUs. The Coal Powered EGU Efficiency and Reliability Dialogue brought together stakeholders from across the coal EGU industry to discuss methods for improvement. Participants at the event reviewed performance-enhancing innovations in coal EGUs, discussed the potential for data-driven management practices to increase efficiency and reliability, investigated the impacts of regulatory compliance on coal EGU performance, and discussed upcoming challenges for the coal industry. This report documents the key findings and research suggestions discussed at the event. Discussions at the workshop will aid DOE in developing a set of distinct initiatives that can be pursued by government and industry to realize promising technological pursuits. DOE plans to use the results of the Dialogue coupled with ongoing technical analysis of efficiency opportunities within the coal-fired fleet, and additional studies to develop a comprehensive strategy for capitalizing on thermal efficiency improvements. Expected Power Plant Efficiency Improvements include developing cost-effective, efficient, and reliable technologies for boilers, turbines, and sensors and controls to improve the reliability and efficiency of existing coal-based power plants. The Office of Fossil Energy at DOE plans to work with industry to develop knowledge pertaining to advanced technologies and systems that industry can subsequently develop. These technologies and systems will increase reliability, add operational flexibility and improve efficiency, thereby providing more robust power generation infrastructure. The following table lists the research suggestions and questions for further investigation that were identified by participants in each session of the dialogue.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2014

Electron-Ion Collider - Plans for Realization

Understanding the emergence of nucleons and nuclei and their interactions from the properties and dynamics of quarks and gluons in Quantum Chromo-Dynamics (QCD) is a fundamental and compelling goal of nuclear science. An Electron-Ion Collider (EIC) was designated in the 2007 Nuclear Physics Long Range Plan as "embodying the vision for reaching the next QCD frontier," extending the QCD science programs in the U.S. established at both the CEBAF accelerator at JLab and RHIC at BNL in dramatic and fundamentally important ways. The 2013 Report of the NSAC Subcommittee on Major Nuclear Physics Facilities for the Next Decade reaffirmed an EIC as "absolutely central in its ability to contribute to world-leading science in the next decade." Two proposals for the EIC are being considered in the U.S.: one each at BNL and at Jefferson Laboratory. In this presentation we will review these proposals of the EIC, their implementation plan, and comment on the physics opportunities they present to the nuclear science communities in the next decade

Rossi, Patrizia↗
DOE OSTI2024

Experiments and Simulations of the Dusty Properties of Hypervelocity Impact Plasmas

Hypervelocity impacts, referring to impacts occurring at several times the speed of sound in the target, result in inertial stresses greatly exceeding the material strength and produce behavior that is not fully understood. These impact phenomena are seen in space through impacts of orbital debris and meteoroids on spacecraft and airless natural bodies but can also be produced in laboratory environments using light-gas guns and electrostatic dust accelerators. When a hypervelocity impact occurs, plasma is generated both from thermal ionization and from pressure ionization, producing a wide range of plasma densities depending on the impactor’s velocity. This plasma is initially formed in the warm dense matter (WDM) regime and governed by high energy density (HED) hydrodynamics before it rapidly expands and dissipates, spanning many orders of magnitude in density and length scale. The plasma can also contain a dust component, which is particularly relevant for the lower-velocity range of hypervelocity impacts with parameters that are particularly relevant to Tokamak plasmas. Therefore, the properties and dynamics of these plasmas cannot be fully characterized without considering dusty plasma effects, which are ubiquitous but poorly understood.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Predictive ALEGRA Simulations of the Mach Wave Concept on the Z Machine

This high level presentation introduces the Sandia Z machine, dynamic materials properties experiments including the Mach Wave concept, and Alegra magnetohydrodynamic modeling for a technical audience. Alegra models are shown to be highly capable, with predictive capabilities limited only by the quality and accuracy of material models.

Boerner, Jeremiah James [Sandia National Laborator↗
DOE OSTI2022

Interfacial Dark Aging Is an Overlooked Source of Aqueous Secondary Organic Aerosol

In this work, the relative yields of aqueous secondary organic aerosols (aqSOAs) at the air–liquid (a–l) interface are investigated between photochemical and dark aging using in situ time-of-flight secondary ion mass spectrometry (ToF-SIMS). Our results show that dark aging is an important source of aqSOAs despite a lack of photochemical drivers. Photochemical reactions of glyoxal and hydroxyl radicals (•OH) produce oligomers and cluster ions at the aqueous surface. Interestingly, different oligomers and cluster ions form intensely in the dark at the a–l interface, contrary to the notion that oligomer formation mainly depends on light irradiation. Furthermore, cluster ions form readily during dark aging and have a higher water molecule adsorption ability. This finding is supported by the observation of more frequent organic water cluster ion formation. The relative yields of water clusters in the form of protonated and hydroxide ions are presented using van Krevelen diagrams to explore the underlying formation mechanisms of aqSOAs. Large protonated and hydroxide water clusters (e.g., (H2O)nH+, 17 < n ≤ 44) have reasonable yields during UV aging. In contrast, small protonated and hydroxide water clusters (e.g., (H2O)nH+, 1 ≤ n ≤ 17) form after several hours of dark aging. Moreover, cluster ions have higher yields in dark aging, indicating the overlooked influence of dark aging interfacial products on aerosol optical properties. Molecular dynamic simulation shows that cluster ions form stably in UV and dark aging. AqSOAs molecules produced from dark and photochemical aging can enhance UV absorption of the aqueous surface, promote cloud condensation nuclei (CCN) activities, and affect radiative forcing.

Van Krevelen diagram↗
DOE OSTI2019

Smart Proxy Modeling of SACROC CO2-EOR

Large CO2-enhanced oil recovery (EOR) projects usually contain an abundance of geological and good performance data. While this volume of data leads to robust models, it often results in difficult to manage, slow-running numerical flow models. To dramatically reduce the numerical run-times associated with the traditional simulation techniques, this work investigated the feasibility of using artificial intelligence and machine learning technologies to develop a smart proxy model of the Scurry Area Canyon Reef Operators Committee (SACROC) oilfield, located in the Permian Basin, TX, USA. Smart proxy models can be used to facilitate injection-production optimization for CO2-EOR projects. The use of a coupled grid-based, and well-based surrogate reservoir model (SRM) (also known as smart proxy modeling) was investigated as the base of the optimization. A fit-for-purpose coupled SRM, which executes in seconds, was built based on high-resolution numerical reservoir simulation models of the northern platform of the SACROC oilfield. This study is unique as it is the first application of coupled SRM at a large oilfield. The developed SRM was able to identify the dynamic reservoir properties (pressure, saturations, and component mole-fraction) at every grid-block, along with the production characteristics (pressure and rate) at each well. Recent attempts to use machine learning and pattern recognition to build proxy models have been simplistic, with limited predictive capabilities. The geological model used in this study is comprised of more than nine million grid blocks. The high correlation between the actual component and SRM, which can be visualized by mapping the properties, along with the fast footprint of the developed model demonstrate the successful application of this methodology.

Vida, Gholami↗
DOE OSTI2021

Ultrafast X-ray Diffraction Study of a Shock-Compressed Iron Meteorite above 100 GPa

Natural kamacite samples (Fe92.5Ni7.5) from a fragment of the Gibeon meteorite were studied as a proxy material for terrestrial cores to examine phase transition kinetics under shock compression for a range of different pressures up to 140 GPa. In situ time-resolved X-ray diffraction (XRD) data were collected of a body-centered cubic (bcc) kamacite section that transforms to the high-pressure hexagonal close-packed (hcp) phase with sub-nanosecond temporal resolution. The coarse-grained crystal of kamacite rapidly transformed to highly oriented crystallites of the hcp phase at maximum compression. The hcp phase persisted for as long as 9.5 ns following shock release. Comparing the c/a ratio with previous static and dynamic work on Fe and Fe-rich Fe-Ni alloys, it was found that some shots exhibit a larger than ideal c/a ratio, up to nearly 1.65. This work represents the first time-resolved laser shock compression structural study of a natural iron meteorite, relevant for understanding the dynamic material properties of metallic planetary bodies during impact events and Earth’s core elasticity.

36 MATERIALS SCIENCE↗
DOE OSTI2016

THE HISTORY OF TIDAL DISRUPTION EVENTS IN GALACTIC NUCLEI

The tidal disruption of a star by a massive black hole (MBH) is thought to produce a transient luminous event. Such tidal disruption events (TDEs) may play an important role in the detection and characterization of MBHs, and in probing the properties and dynamics of their nuclear stellar cluster (NSC) hosts. Previous studies estimated the recent rates of TDEs in the local universe. However, the long-term evolution of the rates throughout the history of the universe has been little explored. Here we consider TDE history, using evolutionary models for the evolution of galactic nuclei. We use a 1D Fokker–Planck approach to explore the evolution of MBH-hosting NSCs, and obtain the disruption rates of stars during their evolution. We complement these with an analysis of TDE history based on N -body simulation data, and find them to be comparable. We consider NSCs that are built up from close-in star formation (SF) or from far-out SF/cluster-dispersal, a few pc from the MBH. We also explore cases where primordial NSCs exist and later evolve through additional SF/cluster-dispersal processes. We study the dependence of the TDE history on the type of galaxy, as well as the dependence on the MBH mass. These provide several scenarios, with a continuous increase of the TDE rates over time for cases of far-out SF and a more complex behavior for the close-in SF cases. Finally, we integrate the TDE histories of the various scenarios to provide a total TDE history of the universe, which can be potentially probed with future large surveys (e.g., LSST).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

A reverse shock in GRB L60509A

We present the second multi-frequency radio detection of a reverse shock in a γ-ray burst. By combining our extensive radio observations of the Fermi-Large Area Telescope γ-ray burst 160509A at z = 1.17 up to 20 days after the burst with Swift X-ray observations and ground-based optical and near-infrared data, we show that the afterglow emission comprises distinct reverse shock and forward shock contributions: the reverse shock emission dominates in the radio band at ≲10 days, while the forward shock emission dominates in the X-ray, optical, and near-infrared bands. Through multi-wavelength modeling, we determine a circumburst density of n{sub 0}≈10{sup −3} cm{sup −3}, supporting our previous suggestion that a low-density circumburst environment is conducive to the production of long-lasting reverse shock radiation in the radio band. We infer the presence of a large excess X-ray absorption column, N {sub H} ≈ 1.5 × 10{sup 22} cm{sup −2}, and a high rest-frame optical extinction, A {sub V} ≈ 3.4 mag. We identify a jet break in the X-ray light curve at t{sub jet}≈6 days, and thus derive a jet opening angle of θ{sub jet}≈4{sup ∘}, yielding a beaming-corrected kinetic energy and radiated γ-ray energy of E{sub K}≈4×10{sup 50} erg and E{sub γ}≈1.3×10{sup 51} erg (1–10{sup 4} keV, rest frame), respectively. Consistency arguments connecting the forward shocks and reverse shocks suggest a deceleration time of t{sub dec} ≈460 s ≈ T {sub 90}, a Lorentz factor of Γ(t{sub dec})≈330, and a reverse-shock-to-forward-shock fractional magnetic energy density ratio of R{sub B}≡ϵ{sub B,RS}/ϵ{sub B,FS}≈8. Our study highlights the power of rapid-response radio observations in the study of the properties and dynamics of γ-ray burst ejecta.

79 ASTRONOMY AND ASTROPHYSICS↗