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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

A study of resistive peeling–ballooning modes across spherical tokamaks

We investigate how non-ideal-magnetohydrodynamics (MHD) effects, in particular plasma resistivity, impact the peeling–ballooning stability thresholds in spherical tokamaks. This analysis follows the discovery of resistive kink-peeling modes in ELMing National Spherical Torus Experiment (NSTX) discharges. In the present study we extend this modeling to ELMing pulses in the Mega Ampere Spherical Tokamak (MAST) and MAST—Upgrade (MAST-U), where we find a clear resistive scaling for peeling–ballooning modes. While in NSTX ideal-MHD predicts stability for ELMing discharges, in MAST-U we find that the plasma is slightly unstable to peeling–ballooning modes, but is fully stabilized once diamagnetic effects are considered in terms of a growth rate normalization. A resistive power law scaling is calculated for these modes on MAST-U, which lies in between that of tearing modes and resistive interchange modes. A comparison between M3D-C1 and NIMROD shows reasonable agreement for this scaling. Resistivity destabilizes the modes and the peeling–ballooning unstable domain is considerably expanded in both, MAST and MAST-U. In addition to the MAST/-U pulses we also analyze resistive PB stability in a NSTX-similarity discharge on DIII-D. While having a different aspect ratio from NSTX, this discharge uses NSTX-like shaping parameters, toroidal field and plasma current. By considering these discharges alongside NSTX cases, we identify conditions influencing the onset of resistive peeling–ballooning modes. Furthermore, our findings indicate that magnetic shear in the pedestal region is closely linked to the emergence of resistive edge modes.

MAST-U↗
DOE OSTI2014

Comparing Supply-Side Specifications in Models of Global Agriculture and the Food System

This paper compares the theoretical specification of production and technical change across the partial equilibrium (PE) and computable general equilibrium (CGE) models of the global agricultural and food system included in the AgMIP model comparison study. The two modeling approaches have different theoretical underpinnings concerning the scope of economic activity they capture and how they represent technology and the behavior of supply and demand in markets. This paper focuses on their different specifications of technology and supply behavior, comparing their theoretical and empirical treatments. While the models differ widely in their specifications of technology, both within and between the PE and CGE classes of models, we find that the theoretical responsiveness of supply to changes in prices can be similar, depending on parameter choices that define the behavior of supply functions over the domain of applicability defined by the common scenarios used in the AgMIP comparisons. In particular, we compare the theoretical specification of supply in CGE models with neoclassical production functions and PE models that focus on land and crop yields in agriculture. In practice, however, comparability of results given parameter choices is an empirical question, and the models differ in their sensitivity to variations in specification. To illustrate the issues, sensitivity analysis is done with one global CGE model, MAGNET, to indicate how the results vary with different specification of technical change, and how they compare with the results from PE models.

agriculture and land use↗
DOE OSTI2023

An Electromagnetic Transient and Three-Phase Phasor Co-Simulation Platform for Studying Distribution System Transients with High Pentration of DERs

Inverter vendors usually have electro-magnetic transient (EMT) models of distributed energy resources (DERs) for validation purposes and these types of models are usually black-boxed considering intellectual property (IP) protection. Limited by small simulation time step for the entire power system network, studying the system-level responses of DERs in EMT simulators is more time-consuming as the network size increases. Meanwhile, vendors usually do not have inverter models that can be used in three-phase phasor-domain simulators. This paper proposes a platform that can dynamically co-simulate the EMT inverter models and three-phase phasor-domain distribution networks considering high penetration of inverter-based DERs. This platform is very useful for evaluating the impacts of vendor-provided black-box DER model on distribution system dynamics. The co-simulation platform is validated against the full EMT model using a simple two-inverter test system and tested using IEEE 34-node test feeder.

Liu, Yuan↗
DOE OSTI2025

In-situ L-TEM observations of dynamics of nanometric skyrmions and antiskyrmions

Nanometer-scale magnetic skyrmions and antiskyrmions exhibit unique dynamical behaviors in response to external stimuli, which are critical for their applications in low-power-consumption spintronic devices. This review discusses recent advancements in in-situ Lorentz transmission electron microscopy (L-TEM) observations of skyrmion and antiskyrmion dynamics, and demonstrates the manipulation and evolution of these textures in various magnetic materials under electric, magnetic, and thermal stimuli. Specifically, the motion tracking of single skyrmions and their clusters, and the deformation and transformation of skyrmions has been demonstrated in chiral helimagnets FeGe, Co 9 Zn 9 Mn 2 , and Co 10 Zn 10 with precise application of electric currents. Skyrmions can undergo dynamic transitions in current-driven skyrmion motions, from pinned states to linear flows, and even exhibit deformation into elliptical shapes, underscoring their topological robustness and dynamic flexibility. In addition, the manipulation of single antiskyrmions and antiskyrmion-lattice phases in (Fe 0.63 Ni 0.3 Pd 0.07 ) 3 P with S 4 symmetry is discussed, highlighting their high mobility and unique sliding capabilities along stripe domains at room temperature, facilitated by nanosecond pulsed electric currents. Finally, the temperature gradient-driven motion and topological transformation of elliptical skyrmions and antiskyrmions in this same material are investigated. In conclusion, the comprehensive insights gained from the L-TEM imaging technique are pivotal in advancing the design and functionality of next-generation skyrmion/antiskyrmion-based spintronic devices.

(Anti)skyrmion↗
DOE OSTI2023

Deuteron off-resonance rotating frame relaxation for the characterization of slow motions in rotating and static solid-state proteins

Here, we demonstrate the feasibility of deuterium solid-state NMR off-resonance rotating frame relaxation measurements for studies of slow motions in biomolecular solids. The pulse sequence, which includes adiabatic pulses for magnetization alignment, is illustrated for static and magic-angle spinning conditions away from rotary resonances. We apply the measurements for three systems with selective deuterium labels at methyl groups: a) a model compound, Fluorenylmethyloxycarbonyl methionine-D 3 amino acid, for which the principles of the measurements and corresponding motional modeling based on rotameric interconversions are demonstrated; b) amyloid-β 1-40 fibrils labeled at a single alanine methyl group located in the disordered N-terminal domain. This system has been extensively studied in prior work and here serves as a test of the method for complex biological systems. The essential features of the dynamics consist of large-scale rearrangements of the disordered N-terminal domain and the conformational exchange between the free and bound forms of the domain, the latter one due to transient interactions with the structured core of the fibrils. and c) a 15-residue helical peptide which belongs to the predicted α-helical domain near the N-terminus of apolipoprotein B. The peptide is solvated with triolein and incorporates a selectively labeled leucine methyl groups. The method permits model refinement, indicating rotameric interconversions with a distribution of rate constants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Exploration of non-resonant divertor features on the Compact Toroidal Hybrid

Abstract Non-resonant divertors (NRDs) separate the confined plasma from the surrounding plasma facing components (PFCs). The resulting striking field line intersection pattern on these PFCs is insensitive to plasma equilibrium effects. However, a complex scrape-off layer (SOL), created by chaotic magnetic topology in the plasma edge, connects the core plasma to the PFCs through varying magnetic flux tubes. The Compact Toroidal Hybrid (CTH) serves as a test-bed to study this by scanning across its inductive current. Simulations observe a significant change of the chaotic edge structure and an effective distance between the confined plasma and the instrumented wall targets. The intersection pattern is observed to be a narrow helical band, which we claim is a resilient strike line pattern. However, signatures of finger-like structures, defined as heteroclinic tangles in chaotic domains, within the plasma edge connect the island chains to this resilient pattern. The dominant connection length field lines intersecting the targets are observed via heat flux modeling with EMC3-EIRENE. At low inductive current levels, the excursion of the field lines resembles a limited plasma wall scenario. At high currents, a private flux region is created in the area where the helical strike line pattern splits into two bands. These bands are divertor legs with distinct SOL parallel particle flow channels. The results demonstrate the NRD strike line pattern resiliency within CTH, but also show the underlying chaotic edge structure determining if the configuration is diverted or limited. This work supports future design efforts for a mechanical structure for the NRD.

Physics↗
DOE OSTI2016

SU-F-R-06: Traumatic Brachial Plexus Injury Imaging, Developing a Coherent Clinical Protocol From Literature Review Through Practice

Purpose: Medical Physics teams can now play a critical role to help plan and provide studied approaches for traumatic brachial plexus MR imaging (tbpMRI). This is especially important for coordination with uncommon applications, since it is challenging to select the right modality, parameters, and train technologists on the essential components. For this work, we started with a review of the medical literature, performed crossover/volunteer studies to bring tbpMRI to practice with greater image QC and protocol management. Methods: To the best of our knowledge, we reviewed the known searchable domain for tbpMRI. We found 69 total articles since 2000. Articles were evaluated with our published protocol for literature management (LIMES3). Two physicists and two radiologists condensed the information from all articles into a knowledgebase. Results: The initial literature demonstrated great heterogeneity, which was a sign that this area needed greater consistency. Despite inconsistency and imprecision, we extracted the most relevant targets using our long-term experience with protocol development in MSK. We ran volunteers on six different magnets of various field strengths with multiple receiver coils, and rebuilt a coherent protocol for tbpMRI. Our radiologists rated LIMES3 work as superior. We have received referrals from the ER and have conducted four patient evaluations. Conclusion: Traumatic brachial plexus MRI has great possible benefits for patients. This work supports the complexity of tbpMRI scanning. As this is rarely performed, it requires a more diligent protocol workflow, coordination of caregivers, and education within multiple clinical departments. Choosing the correct imaging exam can be critical, as patients can have significant neuropathy and/or paralysis. The LIMES3 protocol is well liked at our institution, and forms the cornerstone of understanding for our work. Our literature management led to a better clinical protocol creation despite the diffuse and inconclusive information presented in the existing medical literature.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Computational remodeling of an enzyme conformational landscape for altered substrate selectivity

Structural plasticity of enzymes dictates their function. Yet, our ability to rationally remodel enzyme conformational landscapes to tailor catalytic properties remains limited. Here, we report a computational procedure for tuning conformational landscapes that is based on multistate design of hinge-mediated domain motions. Using this method, we redesign the conformational landscape of a natural aminotransferase to preferentially stabilize a less populated but reactive conformation and thereby increase catalytic efficiency with a non-native substrate, resulting in altered substrate selectivity. Steady-state kinetics of designed variants reveals activity increases with the non-native substrate of approximately 100-fold and selectivity switches of up to 1900-fold. Structural analyses by room-temperature X-ray crystallography and multitemperature nuclear magnetic resonance spectroscopy confirm that conformational equilibria favor the target conformation. Our computational approach opens the door to targeted alterations of conformational states and equilibria, which should facilitate the design of biocatalysts with customized activity and selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Modification of terahertz emission spectrum using microfabricated spintronic emitters

Terahertz (THz) radiation with sub-millimeter wavelength falls in the gap between optical and radio frequencies. Conventional THz emitters do not intertwine with spin degrees of freedom. However, it was recently shown that broadband THz radiation can be efficiently created also by exploiting spin-based effects on ultrafast time scales. Here, we demonstrate the generation and control of THz radiation from microstructured spintronic THz emitters based on the inverse spin-Hall effect. Using time-domain THz spectroscopy, we compare the THz spectra of different stripe patterns made of Fe/Pt bilayers with a spectrum obtained from an extended Fe/Pt bilayer film. It is found that the THz spectrum can be altered by a proper choice of the microstructure dimensions. The experimentally observed spectra are interpreted in terms of a simplified multi-slit interference model, which captures the main experimental features. Our results pave the way for an efficient control of THz light emitted from magnetic heterostructures. This is a crucial step forward for the design and realization of directional THz sources.

Wu, Weipeng↗
DOE OSTI2019

Nonequilibrium structural phase transitions of the vortex lattice in MgB 2

We have studied nonequilibrium phase transitions in the vortex lattice in superconducting MgB2, where metastable states are observed in connection with an intrinsically continuous rotation transition. Using small- angle neutron scattering and a stop-motion technique, we investigated the manner in which the metastable vortex lattice returns to the equilibrium state under the influence of an ac magnetic field. This shows a qualitative difference between the supercooled case which undergoes a discontinuous transition and the superheated case where the transition to the equilibrium state is continuous. In both cases, the transition may be described by an activated process, with an activation barrier that increases as the metastable state is suppressed, as previously reported for the supercooled vortex lattice [Louden et al., Phys. Rev. B 99, 060502(R) (2019).] Separate preparations of superheated metastable vortex lattices with different domain populations showed an identical transition toward the equilibrium state. This provides further evidence that the vortex lattice metastability, and the kinetics associated with the transition to the equilibrium state, is governed by nucleation and growth of domains and the associated domain boundaries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Geoelectrical Measurement of Multi-Scale Mass Transfer Parameters

Mass transfer affects contaminant transport and is thought to control the efficiency of aquifer remediation at a number of sites within the Department of Energy (DOE) complex. An improved understanding of mass transfer is critical to meeting the enormous scientific and engineering challenges currently facing DOE. Informed design of site remedies and long-term stewardship of radionuclide-contaminated sites will require new cost-effective laboratory and field techniques to measure the parameters controlling mass transfer spatially and across a range of scales. In this project, we sought to capitalize on the geophysical signatures of mass transfer. Previous numerical modeling and pilot-scale field experiments suggested that mass transfer produces a geoelectrical signature—a hysteretic relation between sampled (mobile-domain) fluid conductivity and bulk (mobile + immobile) conductivity—over a range of scales relevant to aquifer remediation. In this work, we investigated the geoelectrical signature of mass transfer during tracer transport in a series of controlled experiments to determine the operation of controlling parameters, and also investigated the use of complex-resistivity (CR) as a means of quantifying mass transfer parameters in situ without tracer experiments. In an add-on component to our grant, we additionally considered nuclear magnetic resonance (NMR) to help parse mobile from immobile porosities. Including the NMR component, our revised study objectives were to: 1. Develop and demonstrate geophysical approaches to measure mass-transfer parameters spatially and over a range of scales, including the combination of electrical resistivity monitoring, tracer tests, complex resistivity, nuclear magnetic resonance, and materials characterization; and 2. Provide mass-transfer estimates for improved understanding of contaminant fate and transport at DOE sites, such as uranium transport at the Hanford 300 Area. To achieve our objectives, we implemented a 3-part research plan involving (1) development of computer codes and techniques to estimate mass-transfer parameters from time-lapse electrical data; (2) bench-scale experiments on synthetic materials and materials from cores from the Hanford 300 Area; and (3) field demonstration experiments at the DOE’s Hanford 300 Area. In a synergistic add-on to our workplan, we analyzed data from field experiments performed at the DOE Naturita Site under a separate DOE SBR grant, on which PI Day-Lewis served as co-PI. Techniques developed for application to Hanford datasets also were applied to data from Naturita. 1. Introduction The Department of Energy (DOE) faces enormous scientific and engineering challenges associated with the remediation of legacy contamination at former nuclear weapons production facilities. Selection, design and optimization of appropriate site remedies (e.g., pump-and-treat, biostimulation, or monitored natural attenuation) requires reliable predictive models of radionuclide fate and transport; however, our current modeling capabilities are limited by an incomplete understanding of multi-scale mass transfer—its rates, scales, and the heterogeneity of controlling parameters. At many DOE sites, long “tailing” behavior, concentration rebound, and slower-than-expected cleanup are observed; these observations are all consistent with multi-scale mass transfer [Haggerty and Gorelick, 1995; Haggerty et al., 2000; 2004], which renders pump-and-treat remediation and biotransformation inefficient and slow [Haggerty and Gorelick, 1994; Harvey et al., 1994; Wilson, 1997]. Despite the importance of mass transfer, there are significant uncertainties associated with controlling parameters, and the prevalence of mass transfer remains a point of debate [e.g., Hill et al., 2006; Molz et al., 2006] for lack of experimental methods to verify and measure it in situ or independently of tracer breakthrough. There is a critical need for new field-experimental techniques to measure mass transfer in-situ and estimate multi-scale and spatially variable mass-transfer parameters. The current lack of such techniques results in large parameter uncertainty, which in turn translates into enormous prediction uncertainty and cost to DOE. In this project, we considered three hydrogeophysical approaches for providing information about mass-transfer parameters: (1) the combination of electrical-resistivity tomography (ERT) and ionic tracer experiments to explore rates of exchange and relative mobile and immobile porosities; (2) complex resistivity (CR) measurements to infer the distribution of diffusive length scales active in a porous medium; and (3) nuclear magnetic resonance (NMR) to estimate mobile and immobile porosity.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

Final Report: Geoelectrical Measurement of Multi-Scale Mass Transfer Parameters

Mass transfer affects contaminant transport and is thought to control the efficiency of aquifer remediation at a number of sites within the Department of Energy (DOE) complex. An improved understanding of mass transfer is critical to meeting the enormous scientific and engineering challenges currently facing DOE. Informed design of site remedies and long-term stewardship of radionuclide-contaminated sites will require new cost-effective laboratory and field techniques to measure the parameters controlling mass transfer spatially and across a range of scales. In this project, we sought to capitalize on the geophysical signatures of mass transfer. Previous numerical modeling and pilot-scale field experiments suggested that mass transfer produces a geoelectrical signature—a hysteretic relation between sampled (mobile-domain) fluid conductivity and bulk (mobile + immobile) conductivity—over a range of scales relevant to aquifer remediation. In this work, we investigated the geoelectrical signature of mass transfer during tracer transport in a series of controlled experiments to determine the operation of controlling parameters, and also investigated the use of complex-resistivity (CR) as a means of quantifying mass transfer parameters in situ without tracer experiments. In an add-on component to our grant, we additionally considered nuclear magnetic resonance (NMR) to help parse mobile from immobile porosities. Including the NMR component, our revised study objectives were to: 1. Develop and demonstrate geophysical approaches to measure mass-transfer parameters spatially and over a range of scales, including the combination of electrical resistivity monitoring, tracer tests, complex resistivity, nuclear magnetic resonance, and materials characterization; and 2. Provide mass-transfer estimates for improved understanding of contaminant fate and transport at DOE sites, such as uranium transport at the Hanford 300 Area. To achieve our objectives, we implemented a 3-part research plan involving (1) development of computer codes and techniques to estimate mass-transfer parameters from time-lapse electrical data; (2) bench-scale experiments on synthetic materials and materials from cores from the Hanford 300 Area; and (3) field demonstration experiments at the DOE’s Hanford 300 Area. In a synergistic add-on to our workplan, we analyzed data from field experiments performed at the DOE Naturita Site under a separate DOE SBR grant, on which PI Day-Lewis served as co-PI. Techniques developed for application to Hanford datasets also were applied to data from Naturita.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Fe–Ni solid solutions in nano-size dimensions: Effect of hydrogen annealing

Highlights: • Fe–Ni solid solution with nano-size dimensions were prepared and characterized. • Both as prepared and hydrogenated solid solutions have FCC structure of Ni. • Paramagnetic and ferromagnetic domains coexist in these samples. - Abstract: Nanoparticles of Ni{sub 0.50}Fe{sub 0.50} and Ni{sub 0.75}Fe{sub 0.25} alloys were prepared by chemical reduction in ethylene glycol medium. XRD and {sup 57}Fe Mössbauer studies have confirmed the formation of Fe–Ni solid solution in nano-size dimensions with FCC structure. These samples consist of both ferromagnetic and paramagnetic domains which have been attributed to the coexistence of large and small particles as confirmed by atomic force microscopic (AFM) and {sup 57}Fe Mössbauer spectroscopic studies. Improved extent of Fe–Fe exchange interaction existing in Ni{sub 0.50}Fe{sub 0.50} alloy compared to Ni{sub 0.75}Fe{sub 0.25} alloy explains the observed increase in the relative extent of ferromagnetic domains compared to paramagnetic domains in the former sample. Increase in the relative extent of ferromagnetic domains for hydrogenated alloys is due to increase in particle size brought about by the high temperature activation prior to hydrogenation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Temporal and spatial separations between spin glass and short-range order

Broken-symmetry-induced order parameters account for many phenomena in physics. For spin glasses, this framework dictates the theoretical construction, whereas experiments have only established dynamical behaviors but not the physical entity. Experimental techniques have limitations when the spin glass is probed as an isolated state. Here, we create an evolution from a long-range order using well-controlled non-magnetic substitution on a sublattice. Neutron magnetic diffuse scattering of pico-second timescale reveals that the dynamics of short- and long-range order formation are not affected by disorder, but their spatial ranges are. Across all specimens, the inflection point of spin correlation length’s temperature dependence fully matches with the peak in heat capacity, while spin glass can freeze at millisecond timescale either above or below this characteristic temperature of spin-order formation. Our results identify the spin glass as single, uncorrelated spins at domain walls between spin clusters, and an uncorrelated coexistence of the two.

Dronova, Margarita G [Okinawa Institute of Science↗
DOE OSTI2020

High-Pressure, High-Temperature Synthesis and Characterization of Polar and Magnetic LuCrWO 6

We report a new polar and magnetic oxide, LuCrWO 6 , was synthesized under high pressure (6 GPa) and high temperature (1673 K). LuCrWO 6 is isostructural with the previously reported polar YCrWO 6 (SG: Pna21, no. 33). The ordering of CrO 6 and WO 6 octahedra in the edge-shared dimers induce the polar structure. The effective size of rare earth, Ln cation does not seem to affect the symmetry of LnCrWO 6 . Second harmonic generation measurements of LuCrWO 6 confirmed the noncentrosymmetric character and strong piezoelectric domains are observed from piezoresponse force microscopy at room temperature. LuCrWO 6 exhibits antiferromagnetic behavior, T N , of ~18 K with a Weiss temperature of -30.7 K.

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

Effect of fluctuations on the NMR relaxation beyond the Abrikosov vortex state

Here, the effect of fluctuations on the nuclear magnetic resonance (NMR) relaxation rate W = T –1 1 is studied in a complete phase diagram of a two-dimensional superconductor above the upper critical field line H c2 (T). In the region of relatively high temperatures and low magnetic fields, the relaxation rate W is determined by two competing effects. The first one is its decrease in the result of suppression of the quasiparticle density of states (DOS) due to formation of fluctuation Cooper pairs (FCPs). The second one is a specific, purely quantum relaxation process of the Maki-Thompson (MT) type, which for low field leads to an increase of the relaxation rate. The latter describes particular fluctuation processes involving self-pairing of a single electron on self-intersecting trajectories of a size up to phase-breaking length ℓ Φ which becomes possible due to an electron spin-flip scattering event at a nucleus. As a result, different scenarios with either growth or decrease of the NMR relaxation rate are possible upon approaching the normal-metal–type-II superconductor transition. The character of fluctuations changes along the line H c2 (T) from the thermal long-wavelength type in weak magnetic fields to the clusters of rotating FCPs in fields comparable to Hc2(0). We find that below the well-defined temperature T* 0 ≈ 0.6T c0 , the MT process becomes ineffective even in the absence of intrinsic pair breaking. The small scale of the FCP rotations ξ xy in such high fields impedes formation of long (≲ℓ Φ ) self-intersecting trajectories, causing the corresponding relaxation mechanism to lose its efficiency. This reduces the effect of superconducting fluctuations in the domain of high fields and low temperatures to just the suppression of quasiparticle DOS, analogous to the Abrikosov vortex phase below the H c2 (T) line.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗