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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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143 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Runaway electron beam dynamics at low plasma density in DIII-D: energy distribution, current profile, and internal instability

Parameters of the post-disruption runaway electron (RE) beam in the collisionless background plasma achieved after deuterium injection are investigated in DIII-D. The spatially resolved RE energy distribution function is measured for the first time during the RE plateau stage by inverting hard X-ray bremsstrahlung spectra. It has maximum energy up to 20 MeV and a non-monotonous feature at 5{6 MeV observed only in the core of the beam supporting the possibility of kinetic instabilities. The RE current profile is reconstructed for the first time using the spatially resolved RE energy distribution. It is found to be more peaked than the pre-disruption plasma current, with higher internal inductance, suggesting preferential formation of REs in the core plasma or potentially a radially inward motion of the REs. The accessed relatively low-current (180 kA) RE beam is found stable, likely due to its elevated q profile. From this base stable equilibrium, instability is accessed by ramping the solenoid current. Under a large applied accelerating loop voltage an internal kink mode is observed. The kink mode leads to sawtooth-like relaxation of the RE current profile, but drives no RE loss. Under conditions of a large decelerating voltage, chirping Alfvénic instabilities driven by REs during the RE plateau stage are observed for the first time. The low-frequency (0.1{7 MHz) Alfvénic instabilities, supposedly compressional Alfvén eigenmodes, are found to be correlated with a RE loss signal. Finally, this provides novel plasma conditions to study these instabilities and investigate opportunities to utilize them for RE control. Bifurcated electron cyclotron emission (ECE) spectrum is measured during the collisionless RE plateau, with a break point at ≈100 GHz suggesting resonant absorption of the ECE at low frequencies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

An empirical calibration of the serpentine-water oxygen isotope fractionation at T = 25–100°C

The ability to precisely constrain the physical–chemical conditions of serpentinization, such as temperature and fluid source, is limited by the accuracy of calibrations for oxygen isotope fractionation between serpentine and water – i.e., 1000 lnα( serpentine-water ) – which disagree by up to 20‰ when extrapolated to T<200°C. In this study, we present a new empirical calibration of 1000 lnα( serpentine-water ) aiming to improve applications of oxygen isotope geochemistry to very low-T serpentinization (T<100°C). We used the high-spatial resolution capabilities of Secondary Ion Mass Spectrometry (SIMS) to analyze oxygen isotope ratios in mineral pairs of calcite + serpentine, quartz + serpentine and talc + serpentine co-crystallized at scales≤50μm in six serpentinite samples from the Samail ophiolite (Oman). SIMS analysis shows that the mineral pairs are relatively homogenous in oxygen isotope ratios with variability in δ 18 O values ≤2‰ (2s). Clumped isotope thermometry and petrological constraints indicate crystallization temperatures from 25 to 100°C for the investigated samples. These independent constraints on temperature allowed us to derive 1000 lnα( serpentine-water ) by combining Δ 18 O( quartz-serpentine ), Δ 18 O( talc-serpentine ) and Δ 18 O( calcite-serpentine ) measured by SIMS in the investigated samples with Δ 18 O( quartz-water ), Δ 18 O( talc-water ) and Δ 18 O( calcite-water ) calibrations available in the literature. Our empirical calibration of 1000 lnα( serpentine-water ) = 1.04±0.20 (2SE) × 10 6 /T 2 (T in K), from T = 25 to 100°C, is within uncertainty of former high-temperature empirical calibrations extrapolated to T<100°C and matches experimental calibrations when extrapolated to T=250°C. In conclusion, the new serpentine-water calibration enables more accurate reconstructions of fluid-rock interactions occurring during low-temperature serpentinization processes in various tectonic settings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

BMINN: Learning chemical potentials and parameters from voltage data for multi-phase battery modeling

Free-energy landscapes and chemical potentials govern the dynamics of phase transitions, transport, and stability in functional materials, yet they remain experimentally inaccessible under realistic operating conditions. Here we introduce a Bayesian model-integrated neural network (BMINN) that embeds physics-based formulations of non-autonomous partial differential-algebraic equations into probabilistic learning. This approach reconstructs hidden thermodynamics directly from macroscopic current-voltage data, providing quantitative access to metastable states, staging transitions, and energy barriers without synchrotron probes. Demonstrated on lithium-graphite electrodes, BMINN recovers full Gibbs free-energy landscapes with fidelity validated against operando X-ray diffraction. The framework generalizes across dynamical regimes, enabling accurate voltage prediction, internal state estimation, and inference of governing parameters. Beyond batteries, BMINN exemplifies a broadly applicable strategy for learning missing physics in multiphase, non-equilibrium systems, offering a new pathway to uncover hidden thermodynamic functions across condensed matter and materials physics.

25 ENERGY STORAGE↗
DOE OSTI2021

Retreat and Regrowth of the Greenland Ice Sheet During the Last Interglacial as Simulated by the CESM2‐CISM2 Coupled Climate–Ice Sheet Model

Abstract During the Last Interglacial, approximately 129 to 116 ka (thousand years ago), the Arctic summer climate was warmer than the present, and the Greenland Ice Sheet retreated to a smaller extent than its current state. Previous model‐derived and geological reconstruction estimates of the sea‐level contribution of the Greenland Ice Sheet during the Last Interglacial vary widely. Here, we conduct a transient climate simulation from 127 to 119 ka using the Community Earth System Model (CESM2), which includes a dynamic ice sheet component (the Community Ice Sheet Model, CISM2) that is interactively coupled to the atmosphere, land, ocean, and sea ice components. Vegetation distribution is updated every 500 years based on biomes simulated using a monthly climatology to force the BIOME4 equilibrium vegetation model. Results show a substantial retreat of the Greenland Ice Sheet, reaching a minimum extent at 121.9 ka, equivalent to a 3.0 m rise in sea level relative to the present day, followed by gradual regrowth. In contrast, a companion simulation employing static vegetation based on pre‐industrial conditions shows a much smaller ice‐sheet retreat, highlighting the importance of the changes in high‐latitude vegetation distribution for amplifying the ice‐sheet response.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Viewing is understanding: Graphite microstructure effects on infiltrated molten salt distribution revealed by 3D neutron tomography

Molten salt infiltration in the pore network of nuclear graphite may cause unwanted changes to graphite's local structure and mechanical and thermal properties. A detailed and comprehensive understanding of molten salt intrusion (distribution across sample cross section and penetration depth) is needed to assess its effects. Here, in this work, we report on an improved methodology for the use of neutron imaging (computed tomography) to evaluate salt penetration and distribution of a wide range of graphite grades with diverse microstructures. Neutron tomography data were acquired on the same graphite sample before and after salt intrusion; the 3D reconstructed volumes were digitally co-registered and subtracted. The difference in neutron attenuation coefficient represents direct visualization of FLiNaK (LiF–NaF–KF) salt distribution in the salt-impregnated graphite samples. This improved methodology was applied to investigate the effect of exposure times (12 h and 336 h) and of graphite microstructure when exposed to FLiNaK at 750 °C and 3 bar (gauge) pressure, starting from flowing argon at near atmospheric pressure. The results show that medium-grained and fine-grained graphites evolve to equilibrium at significantly different rates: fast salt uptake in medium-grained graphites produces salt deposits throughout the volume of graphite specimens, whereas salt infiltration in fine-grained graphites is much slower and limited to exposed surfaces.

FLiNaK infiltration↗
DOE OSTI2023

Plug-and-Play Methods for Integrating Physical and Learned Models in Computational Imaging: Theory, algorithms, and applications

Plug-and-play (PnP) priors constitute one of the most widely used frameworks for solving computational imaging problems through the integration of physical models and learned models. PnP leverages high-fidelity physical sensor models and powerful machine learning methods for prior modeling of data to provide state-of-the-art reconstruction algorithms. PnP algorithms alternate between minimizing a data fidelity term to promote data consistency and imposing a learned regularizer in the form of an image denoiser. Recent highly successful applications of PnP algorithms include biomicroscopy, computerized tomography (CT), magnetic resonance imaging (MRI), and joint ptychotomography. This article presents a unified and principled review of PnP by tracing its roots, describing its major variations, summarizing main results, and discussing applications in computational imaging. Additionally, we also point the way toward further developments by discussing recent results on equilibrium equations that formulate the problem associated with PnP algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

High Order Wall-Modeled Large-Eddy Simulation on Mixed Unstructured Meshes

In the present study, an algebraic equilibrium wall model previously developed for hexahedral elements is extended to handle mixed meshes including prismatic, tetrahedral, and pyramidal elements in the context of a discontinuous high-order method. This extension is needed for complex geometries, for which high-order mixed elements (e.g., tetrahedral and pyramidal elements) are often necessary near solid walls to avoid meshing challenges. Various design decisions are discussed to achieve the best performance on massively parallel CPU/GPU architectures for a production-level high-order large-eddy simulation solver based on the flux reconstruction/correction procedure via reconstruction method, hpMusic. The extension to other elements is first evaluated using a benchmark channel flow problem at various Reynolds numbers. After that, flow over the NASA high-lift Common Research Model (CRM-HL) from the 4th AIAA High-lift Prediction Workshop is computed to further test the new implementation. Computational results at the third- and fourth-order accuracies are compared with experimental data.

Engineering↗
DOE OSTI2022

Atmospheric CO 2 estimates for the Miocene to Pleistocene based on foraminiferal $δ^{11}$B at Ocean Drilling Program Sites 806 and 807 in the Western Equatorial Pacific

Constraints on the evolution of atmospheric CO 2 levels throughout Earth's history are foundational to our understanding of past variations in climate. Despite considerable effort, records vary in their temporal and spatial coverage and estimates of past CO 2 levels do not always converge, and therefore new records and proxies are valuable. Here we reconstruct atmospheric CO 2 values across major climate transitions over the past 16 million years using the boron isotopic composition (δ 11 B) of planktic foraminifera from 89 samples obtained from two sites in the West Pacific Warm Pool, Ocean Drilling Program (ODP) Sites 806 and 807, measured using high-precision multi-collector inductively coupled plasma mass spectrometry. We compare our results to published data from ODP Site 872, also in the Western Equatorial Pacific, that goes back to 22 million years ago. These sites are in a region that today is near equilibrium with the atmosphere and are thought to have been in equilibrium with the atmosphere for the interval studied. We show that δ 11 B data from this region are consistent with other boron-based studies. The data show evidence for elevated pCO 2 during the Middle Miocene and Early to Middle Pliocene, and reductions in pCO 2 of ~200 ppm during the Middle Miocene Climate Transition, ~250 ppm during Pliocene Glacial Intensification and ~50 ppm during the Mid-Pleistocene Climate Transition. During the Mid-Pleistocene Transition there is a minimum pCO 2 at marine isotopic stage (MIS) 30. Our results are consistent with a coupling between pCO 2 , temperature and ice sheet expansion from the Miocene to the late Quaternary.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Mapping causal patterns in crystalline solids

The evolution of the atomic structures of the combinatorial library of Sm-substituted thin film BiFeO 3 along the phase transition boundary from the ferroelectric rhombohedral phase to the non-ferroelectric orthorhombic phase is explored using scanning transmission electron microscopy. Localized properties, including polarization, lattice parameter, and chemical composition, are parameterized from atomic-scale imaging, and their causal relationships are reconstructed using a linear non-Gaussian acyclic model. This approach is further extended to explore the spatial variability of the causal coupling using the sliding window transform method, which revealed that new causal relationships emerged at both the expected locations, such as domain walls and interfaces, and at additional regions forming clusters in the vicinity of the walls or spatially distributed features. While the exact physical origins of these relationships are unclear, they likely represent nanophase-separated regions in the morphotropic phase boundaries. Overall, we posit that an in-depth understanding of complex disordered materials away from thermodynamic equilibrium necessitates understanding not only the generative processes that can lead to observed microscopic states but also the causal links between multiple interacting subsystems.

Causal inference↗
DOE OSTI2025

Insights into distorted lamellar phases with small-angle scattering and machine learning

Lamellar phases are essential in various soft matter systems, with topological defects significantly influencing their mechanical properties. In this report, we present a machine-learning approach for quantitatively analyzing the structure and dynamics of distorted lamellar phases using scattering techniques. By leveraging the mathematical framework of Kolmogorov–Arnold networks, we demonstrate that the conformations of these distorted phases – expressed as superpositions of complex waves – can be reconstructed from small-angle scattering intensities. Through the contour analysis of wave field phase singularities, we obtain the statistics of the spatial distribution of topological defects. Furthermore, we establish that the temporal evolution of these defects can be derived from the time-dependent traveling wave field, informed by the dispersion relation of spectral components. This method opens new avenues for investigating the dynamics of distorted lamellar phases using various dynamic scattering techniques such as neutron spin echo and X-ray photon correlation spectroscopy. These findings enhance our microscopic understanding of how defects influence the physical properties of lamellar materials, with implications for both equilibrium and non-equilibrium states in general lamellar systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

K ∗ (892) ± resonance production in Pb−Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

The production of K *⁢(892) ± meson resonance is measured at midrapidity (| y |<0.5) in Pb-Pb collisions at $\sqrt{^sNN}$ = 5.02 TeV using the ALICE detector at the CERN Large Hadron Collider. The resonance is reconstructed via its hadronic decay channel K *⁢(892) ± → K $^0_S$⁢π ± . The transverse momentum distributions are obtained for various centrality intervals in the p T range of 0.4-16 GeV/ c . Measurements of integrated yields, mean transverse momenta, and particle yield ratios are reported and found to be consistent with previous ALICE measurements for K *⁢(892) 0 within uncertainties. The p T -integrated yield ratio 2 K *⁢(892) ± ⁢/(⁢ K + + K - ) in central Pb-Pb collisions shows a significant suppression at a level of 9.3σ⁢ relative to pp collisions. Thermal model calculations result in an overprediction of the particle yield ratio. Although both hadron resonance gas in partial chemical equilibrium (HRG-PCE) and MUSIC + SMASH simulations consider the hadronic phase, only HRG-PCE accurately represents the measurements, whereas MUSIC + SMASH simulations tend to overpredict the particle yield ratio. These observations, along with the kinetic freeze-out temperatures extracted from the yields measured for light-flavored hadrons using the HRG-PCE model, indicate a finite hadronic phase lifetime, which decreases with increasing collision centrality percentile. The p T-differential yield ratios 2 K *⁢(892) ±⁢ /(⁢ K + + K - ) and 2 K *⁢(892) ± ⁢/(⁢π + +π - ) are presented and compared with measurements in pp collisions at $\sqrt{s}$ = 5.02 TeV. Both particle ratios are found to be suppressed by up to a factor of five at p T <2.0 GeV/ c in central Pb-Pb collisions and are qualitatively consistent with expectations for rescattering effects in the hadronic phase. The nuclear modification factor ( R AA ) shows a smooth evolution with centrality and is found to be below unity at p T >8 GeV/ c , consistent with measurements for other light-flavored hadrons. The smallest values are observed in most central collisions, indicating larger energy loss of partons traversing the dense medium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Seawater pH reconstruction using boron isotopes in multiple planktonic foraminifera species with different depth habitats and their potential to constrain pH and <i>p</i>CO<sub>2</sub> gradients

Boron isotope systematics of planktonic foraminifera from core-top sediments and culture experiments have been studied to investigate the sensitivity ofδ11B of calcite tests to seawater pH. However, our knowledge of the relationship between δ11B and pH remains incomplete for many taxa. Thus, to expand the potential scope of application of this proxy, we report δ11B data for seven different species of planktonic foraminifera from sediment core tops. We utilize a method for the measurement of small samples of foraminifera and calculate the δ11B-calcite sensitivity to pH for Globigerinoides ruber, Trilobus sacculifer (sacc or without sacc), Orbulina universa, Pulleniatina obliquiloculata, Neogloboquadrina dutertrei, Globorotalia menardii, and Globorotalia tumida, including for unstudied core tops and species. These taxa have diverse ecological preferences and are from sites that span a range of oceanographic regimes, including some that are in regions of air–sea equilibrium and others that are out of equilibrium with the atmosphere. The sensitivity of δ11Bcarbonate to δ11Bborate (e.g., Δδ11Bcarbonate/Δδ11Bborate) in core tops is consistent with previous studies for T. sacculifer and G. ruber and close to unity for N. dutertrei, O. universa, and combined deep-dwelling species. Deep-dwelling species closely follow the core-top calibration fo rO. universa, which is attributed to respiration-driven microenvironments likely caused by light limitation and/or symbiont–host interactions. Our data support the premise that utilizing boron isotope measurements of multiple species within a sediment core can be utilized to constrain vertical profiles of pH andpCO2 at sites spanning different oceanic regimes, thereby constraining changes in vertical pH gradients and yielding insights into the past behavior of the oceanic carbon pumps.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Grad–Shafranov equilibria via data-free physics informed neural networks

A large number of magnetohydrodynamic (MHD) equilibrium calculations are often required for uncertainty quantification, optimization, and real-time diagnostic information, making MHD equilibrium codes vital to the field of plasma physics. In this paper, we explore a method for solving the Grad–Shafranov equation by using physics-informed neural networks (PINNs). For PINNs, we optimize neural networks by directly minimizing the residual of the partial differential equation as a loss function. We show that PINNs can accurately and effectively solve the Grad–Shafranov equation with several different boundary conditions, making it more flexible than traditional solvers. This method is flexible as it does not require any mesh and basis choice, thereby streamlining the computational process. We also explore the parameter space by varying the size of the model, the learning rate, and boundary conditions to map various tradeoffs such as between reconstruction error and computational speed. Additionally, we introduce a parameterized PINN framework, expanding the input space to include variables such as pressure, aspect ratio, elongation, and triangularity in order to handle a broader range of plasma scenarios within a single network. Parameterized PINNs could be used in future work to solve inverse problems such as shape optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Velocity Measurements in Channel Gas Flows in the Slip Regime by means of Molecular Tagging Velocimetry

Direct measurements of the slip velocity in rarefied gas flows produced by local thermodynamic non-equilibrium at the wall represent crucial information for the validation of existing theoretical and numerical models. In this work, molecular tagging velocimetry (MTV) by direct phosphorescence is applied to argon and helium flows at low pressures in a 1-mm deep channel. MTV has provided accurate measurements of the molecular displacement of the gas at average pressures of the order of 1 kPa. To the best of our knowledge, this work reports the very first flow visualizations of a gas in a confined domain and in the slip flow regime, with Knudsen numbers up to 0.014. MTV is cross-validated with mass flowrate measurements by the constant volume technique. The two diagnostic methods are applied simultaneously, and the measurements in terms of average velocity at the test section are in good agreement. Moreover, preliminary results of the slip velocity at the wall are computed from the MTV data by means of a reconstruction method

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Effects of detailed geometry and real fluid thermodynamics on Spray G atomization

We present recent results toward the quantification of spray characteristics at engine conditions for an eight-hole counter-bored (stepped) GDI injector-Spray G in the ECN denomination. This computational study is characterized by two novel features: the detailed description of a real injector's internal surfaces via tomographic reconstruction; and a general equation of state that represents the thermodynamic properties of homogeneous liquid-vapor mixtures. The combined level-set moment-of-fluid approach, coupled to an embedded boundary formulation for moving solid walls, makes it possible to seamlessly connect the injector's internal flow to the spray. The Large Eddy Simulation (LES) discussed here presents evidence of partial hydraulic flipping and, during the closing transient, string cavitation. Results are validated by measurements of spray density profiles and droplet size distribution.

42 ENGINEERING↗
DOE OSTI2024

System-size dependence of the hadronic rescattering effect at energies available at the CERN Large Hadron Collider

The first measurements of K * ( 892 ) 0 resonance production as a function of charged-particle multiplicity in Xe-Xe collisions at s N N = 5.44 TeV and p p collisions at s = 5.02 TeV using the ALICE detector are presented. The resonance is reconstructed at midrapidity ( | y | < 0.5) using the hadronic decay channel K * 0 → K ± π ∓ . Measurements of transverse-momentum integrated yield, mean transverse-momentum, nuclear modification factor of K * 0 , and yield ratios of resonance to stable hadron ( K * 0 / K ) are compared across different collision systems ( p p , p -Pb, Xe-Xe, and Pb-Pb) at similar collision energies to investigate how the production of K * 0 resonances depends on the size of the system formed in these collisions. The hadronic rescattering effect is found to be independent of the size of colliding systems and mainly driven by the produced charged-particle multiplicity, which is a proxy of the volume of produced matter at the chemical freeze-out. In addition, the production yields of K * 0 in Xe-Xe collisions are utilized to constrain the dependence of the kinetic freeze-out temperature on the system size using the hadron resonance gas–partial chemical equilibrium model. ©2024 CERN, for the ALICE Collaboration 2024 CERN

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Early glacier advance in New Zealand during the Antarctic Cold Reversal

ABSTRACT Glacial landscapes preserve records of past climate change. Investigating the glacier–climate system over the Late Quaternary provides information about past climate change and context for present‐day glacier response to climate warming. Using 28 beryllium‐10 ( 10 Be) surface exposure dates and snowline reconstructions, we present glacier fluctuations and climate changes for the Antarctic Cold Reversal in the Ahuriri River catchment, Southern Alps of New Zealand (44°7′50″S, 169°38′29″E). Prominent terminal and lateral moraine features from the upper right tributary of the Ahuriri River valley have exposure ages of 14.5 ± 0.3, 13.6 ± 0.3 and 12.6 ± 0.2 ka, suggesting retreat of the glacier during the Antarctic Cold Reversal. Maximum elevation of lateral moraines (MELM) and accumulation area ratio (AAR) suggest snowline elevations at these ages were ≤700, ≤630 and ~360 m lower than today, respectively. This equates to air temperatures ≤3.9, ≤3.5 and 2.3 ± 0.7 °C lower than today (1981–2010), assuming no changes in past precipitation. Ice‐sculpted bedrock surfaces bound by a lateral moraine at nearby Canyon Creek have an age of 13.1 ± 0.3 ka, indicating the moraine correlates with those in the Ahuriri upper right tributary. MELM and AAR reconstructions from the Canyon Creek suggest that snowline elevations at 14.5–13.6 ka were ≤500 or ~380 m lower than today, corresponding to air temperatures ≤2.8 or 2.4 ± 0.7 °C lower than the present‐day (1981–2010). Our results provide insight into the structure of the Antarctic Cold Reversal in the Southern Alps, showing that the largest glacier advance occurred at the start of this interval at c . 14.5 ± 0.3 ka and was followed by gradual retreat. We hypothesize that the early cooling and glacier readvance in New Zealand at the onset of the Antarctic Cold Reversal were triggered by a latitudinal shift of the Southern Hemisphere westerly wind belt.

58 GEOSCIENCES↗