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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

HPC-Driven Modeling with ML-Based Surrogates for Magnon-Photon Dynamics in Hybrid Quantum System

Here, we introduce a hybrid computational framework that merges HPC-based numerical solvers with physics-informed ML surrogates for efficient modeling of magnon-photon interactions. By running short-duration, high-fidelity Maxwell-LLG simulations and feeding their results into an ML model, we substantially cut simulation time while achieving accurate predictions across larger spatiotemporal domains.

Accuracy↗
DOE OSTI2021

Mechanism Across Scales: A Holistic Modeling Framework Integrating Laboratory and Field Studies for Microbial Ecology

Over the last century, leaps in technology for imaging, sampling, detection, high-throughput sequencing, and -omics analyses have revolutionized microbial ecology to enable rapid acquisition of extensive datasets for microbial communities across the ever-increasing temporal and spatial scales. The present challenge is capitalizing on our enhanced abilities of observation and integrating diverse data types from different scales, resolutions, and disciplines to reach a causal and mechanistic understanding of how microbial communities transform and respond to perturbations in the environment. This type of causal and mechanistic understanding will make predictions of microbial community behavior more robust and actionable in addressing microbially mediated global problems. To discern drivers of microbial community assembly and function, we recognize the need for a conceptual, quantitative framework that connects measurements of genomic potential, the environment, and ecological and physical forces to rates of microbial growth at specific locations. We describe the Framework for Integrated, Conceptual, and Systematic Microbial Ecology (FICSME), an experimental design framework for conducting process-focused microbial ecology studies that incorporates biological, chemical, and physical drivers of a microbial system into a conceptual model. Through iterative cycles that advance our understanding of the coupling across scales and processes, we can reliably predict how perturbations to microbial systems impact ecosystem-scale processes or vice versa. We describe an approach and potential applications for using the FICSME to elucidate the mechanisms of globally important ecological and physical processes, toward attaining the goal of predicting the structure and function of microbial communities in chemically complex natural environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

A hybrid finite volume method and smoothed particle hydrodynamics approach for efficient and accurate blast simulations

Modeling strong shock waves in fluids remains a persistent challenge in computational physics. Essential to research efforts in industry and defense, numerous methods have been devised to improve the accuracy and efficiency of shock simulations. A novel, hybrid Finite Volume Method (FVM)-Smoothed Particle Hydrodynamics (SPH) approach is capable of further improving efficiency and retaining accuracy by exploiting the favorable characteristics of each respective method. This hybrid approach is presented for shock capturing in compressible fluids. The Python framework Pyro2 is employed to simulate a coarse FVM mesh, while the Python framework PySPH is utilized to model the fluid in regions with high gradients through SPH particles. The performance of the hybrid FVM-SPH scheme, compared to the individual FVM and SPH methods, is assessed in 1 kt and 10 kt blast simulations. Our results indicate that the hybrid approach offers higher computational efficiency than SPH while preserving its accuracy and characteristics. The hybrid approach had a relative speedup of 11.3x and 22.3x over the FVM and SPH approaches for the 1 kt simulation and a relative speedup of 14.7x and 20.9x over the FVM and SPH approaches for the 10 kt simulation. The hybrid SPH algorithm enables future compressible fluid simulations with more extensive capabilities than grid-based methods alone, presenting potential applications in modeling fluid-structure interactions and solid deformation and fracturing in blast simulations.

Myers, Conner↗
DOE OSTI2022

Root Pulling Force Across Drought in Maize Reveals Genotype by Environment Interactions and Candidate Genes

High-throughput, field-based characterization of root systems for hundreds of genotypes in thousands of plots is necessary for breeding and identifying loci underlying variation in root traits and their plasticity. We designed a large-scale sampling of root pulling force, the vertical force required to extract the root system from the soil, in a maize diversity panel under differing irrigation levels for two growing seasons. We then characterized the root system architecture of the extracted root crowns. We found consistent patterns of phenotypic plasticity for root pulling force for a subset of genotypes under differential irrigation, suggesting that root plasticity is predictable. Using genome-wide association analysis, we identified 54 SNPs as statistically significant for six independent root pulling force measurements across two irrigation levels and four developmental timepoints. For every significant GWAS SNP for any trait in any treatment and timepoint we conducted post hoc tests for genotype-by-environment interaction, using a mixed model ANOVA. We found that 8 of the 54 SNPs showed significant GxE. Candidate genes underlying variation in root pulling force included those involved in nutrient transport. Although they are often treated separately, variation in the ability of plant roots to sense and respond to variation in environmental resources including water and nutrients may be linked by the genes and pathways underlying this variation. While functional validation of the identified genes is needed, our results expand the current knowledge of root phenotypic plasticity at the whole plant and gene levels, and further elucidate the complex genetic architecture of maize root systems.

Woods, Patrick↗
DOE OSTI2024

Life at the Landau Pole

If a quantum field theory has a Landau pole, the theory is usually called ‘sick’ and dismissed as a candidate for an interacting UV-complete theory. In a recent study on the interacting 4d O(N) model at large N, it was shown that at the Landau pole, observables remain well-defined and finite. In this work, I investigate both relevant and irrelevant deformations of the said model at the Landau pole, finding that physical observables remain unaffected. Apparently, the Landau pole in this theory is benign. As a phenomenological application, I compare the O(N) model to QCD by identifying $Λ_{\overline{MS}}$ with the Landau pole in the O(N) model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Investigation of the Potential of Repurposing Medium-Density Fiberboard Waste as an Adsorbent for Heavy Metal Ion Removal

Medium-density fiberboard (MDF) waste generation has increased steadily over the past decades, and therefore, the investigation of novel methods to recycle this waste is very important. The potential of repurposing MDF waste as an adsorbent for the treatment of Cd(II), Cu(II), Pb(II), and Zn(II) ions in water was investigated using MDF offcuts. The highest adsorption potential in single-metal ion solution systems was observed for Pb(II) ions. The experimental data of Pb(II) ions fit well with the Freundlich isotherm and pseudo-second-order kinetic models. Complexation and electrostatic interactions were identified as the adsorption mechanisms. The adsorption behavior of multi-metal ion adsorption systems was investigated by introducing Cd(II) ions as a competitive metal ion. The presence of the Cd(II) ions reduced the adsorption potential of Pb(II) ions, yet the preference for the Pb(II) ions remained. Regeneration studies were performed by using 0.1 M HCl as a regeneration agent for both systems. Even though a significant amount of adsorbed metal ions were recovered, the adsorption potential of the MDF was reduced in the subsequent adsorption cycles. Based on these results, MDF fines have the potential to be used as an economical adsorbent for remediation of wastewater containing heavy metal ions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Foreshock Model for Interstellar Shocks of Solar Origin: Voyager 1 and 2 Observations

The Voyager 1 (V1) and Voyager 2 (V2) spacecraft were launched in 1977 on a mission to explore the outer planets and reach the heliopause, the boundary between the hot solar plasma and the relatively cool interstellar plasma. V1 reached the heliopause on 2012 August 25, at 121.6 au, and V2 reached the heliopause on 2018 November 5, at 119.0 au. One of their remarkable discoveries was the detection of shocks propagating into the interstellar plasma from energetic solar events. These shocks are typically preceded by electron plasma oscillations excited by electron beams streaming along interstellar magnetic field lines ahead of the shocks. The frequencies of the plasma oscillations have now provided radial electron density profiles in the outer heliosphere and in the interstellar medium to radial distances of more than 145 au. The oscillations are typically preceded by bursts of high-energy ∼5–100 MeV electrons. These electron bursts are interpreted as being due to the reflection (and acceleration) of cosmic-ray electrons by the shock at the time the shock first contacts the magnetic field line that passes through the spacecraft. Relative timing between the cosmic rays reflected by the shock and the onset of the plasma oscillations allow us, for the first time, to estimate the energy, ∼20–100 eV, of the electron beams responsible for the plasma oscillations. These observations are combined into a self-consistent model called the foreshock model that describes the interaction of shocks of solar origin with the interstellar plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Low-energy Electron-track Imaging for a Liquid Argon Time-projection-chamber Telescope Concept Using Probabilistic Deep Learning

The GammaTPC is an MeV-scale single-phase liquid argon time-projection-chamber gamma-ray telescope concept with a novel dual-scale pixel-based charge-readout system. It promises to enable a significant improvement in sensitivity to MeV-scale gamma rays over previous telescopes. The novel pixel-based charge readout allows for imaging of the tracks of electrons scattered by Compton interactions of incident gamma rays. The two primary contributors to the accuracy of a Compton telescope in reconstructing an incident gamma-ray’s original direction are its energy and position resolution. In this work, we focus on using deep learning to optimize the reconstruction of the initial position and direction of electrons scattered in Compton interactions, including using probabilistic models to estimate predictive uncertainty. We show that the deep-learning models are able to predict locations of Compton scatters of MeV-scale gamma rays from simulated 500 μm pixel-based data to better than 1 mm rms error and are sensitive to the initial direction of the scattered electron. We compare and contrast different deep-learning uncertainty estimation algorithms for reconstruction applications. Additionally, we show that event-by-event estimates of the uncertainty of the locations of the Compton scatters can be used to select those events that were reconstructed most accurately, leading to improvement in locating the origin of gamma-ray sources on the sky.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

SIDM Concerto: Compilation and Data Release of Self-interacting Dark Matter Zoom-in Simulations

We present SIDM Concerto: 14 cosmological zoom-in simulations in cold dark matter (CDM) and self-interacting dark matter (SIDM) models based on the Symphony and Milky Way-est suites. SIDM Concerto includes one Large Magellanic Cloud– (LMC-) mass system (host mass ∼10 11 M ⊙ ), two Milky Way (MW) analogs (∼10 12 M ⊙ ), two group-mass hosts (∼10 13 M ⊙ ), and one low-mass cluster (∼10 14 M ⊙ ). Each host contains ≈2 × 10 7 particles and is run in CDM and one or more strong, velocity-dependent SIDM models. Our analysis of SIDM (sub)halo populations over seven subhalo mass decades reveals that (1) the fraction of core-collapsed isolated halos and subhalos peaks at a maximum circular velocity corresponding to the transition of the SIDM cross section from a v −4 to v 0 scaling; (2) SIDM subhalo mass functions are suppressed by ≈50% relative to CDM in LMC, MW, and group-mass hosts but are consistent with CDM in the low-mass cluster host; (3) subhalos’ inner density profile slopes, which are more diverse in SIDM than in CDM, are sensitive to both the amplitude and shape of the SIDM cross section. Our simulations provide a benchmark for testing SIDM predictions with astrophysical observations of field and satellite galaxies, strong lensing systems, and stellar streams. Data products are publicly available at doi:10.5281/zenodo.14933624.

dark matter↗
DOE OSTI2022

Mapping the Planetary Wake in HD 163296 with Kinematics

Abstract We map the planetary wake associated with the embedded protoplanet creating the CO kink in the disk of HD 163296. We show that the wake can be traced by a series of correlated perturbations in the peak velocity map. The sign change of the perturbations across the disk’s major axis confirms that the wake induces predominantly radial motion, as predicted by models of planet–disk interaction. These results provide the first direct confirmation of planet wakes generated by Lindblad resonances. Mapping the wake provides a constraint on the disk aspect ratio, which is required to measure the mass of the planet.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Kinematic Evidence for an Embedded Planet in the IM Lupi Disk

Abstract We test the hypothesis that an embedded giant planet in the IM Lupi protostellar disk can produce velocity kinks seen in CO line observations as well as the spiral arms seen in scattered light and continuum emission. We inject planets into 3D hydrodynamics simulations of IM Lupi, generating synthetic observations using Monte Carlo radiative transfer. We find that an embedded planet of 2–3 M Jup can reproduce non-Keplerian velocity perturbations, or “kinks”, in the 12 CO J = 2–1 channel maps. Such a planet can also explain the spiral arms seen in 1.25 mm dust continuum emission and 1.6 μ m scattered-light images. We show that the wake of the planet can be traced in the observed peak velocity map, which appears to closely follow the morphology expected from our simulations and from analytic models of planet–disk interaction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Toward closure between predicted and observed particle viscosity over a wide range of temperatures and relative humidity

Abstract. Atmospheric aerosols can exist in amorphous semi-solid or glassy phase states whose viscosity varies with atmospheric temperature and relative humidity. The temperature and humidity dependence of viscosity has been hypothesized to be predictable from the combination of a water–organic binary mixing rule of the glass transition temperature, a glass-transition-temperature-scaled viscosity fragility parameterization, and a water uptake parameterization. This work presents a closure study between predicted and observed viscosity for sucrose and citric acid. Viscosity and glass transition temperature as a function of water content are compiled from literature data and used to constrain the fragility parameterization. New measurements characterizing viscosity of sub-100 nm particles using the dimer relaxation method are presented. These measurements extend the available data of temperature- and humidity-dependent viscosity to −28 ∘C. Predicted relationships agree well with observations at room temperature and with measured isopleths of constant viscosity at ∼107 Pa s at temperatures warmer than −28 ∘C. Discrepancies at colder temperatures are observed for sucrose particles. Simulations with the kinetic multi-layer model of gas–particle interactions suggest that the observed deviations at colder temperature for sucrose can be attributed to kinetic limitations associated with water uptake at the timescales of the dimer relaxation experiments. Using the available information, updated equilibrium phase-state diagrams (-80∘C

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The GGCMI Phase 2 emulators: global gridded crop model responses to changes in CO 2 , temperature, water, and nitrogen (version 1.0)

Statistical emulation allows combining advantageous features of statistical and process-based crop models for understanding the effects of future climate changes on crop yields. We describe here the development of emulators for nine process-based crop models and five crops using output from the Global Gridded Model Intercomparison Project (GGCMI) Phase 2. The GGCMI Phase 2 experiment is designed with the explicit goal of producing a structured training dataset for emulator development that samples across four dimensions relevant to crop yields: atmospheric carbon dioxide (CO2) concentrations, temperature, water supply, and nitrogen inputs (CTWN). Simulations are run under two different adaptation assumptions: that growing seasons shorten in warmer climates, and that cultivar choice allows growing seasons to remain fixed. The dataset allows emulating the climatological-mean yield response of all models with a simple polynomial in mean growing-season values. Climatological-mean yields are a central metric in climate change impact analysis; we show here that they can be captured without relying on interannual variations. In general, emulation errors are negligible relative to differences across crop models or even across climate model scenarios; errors become significant only in some marginal lands where crops are not currently grown. We demonstrate that the resulting GGCMI emulators can reproduce yields under realistic future climate simulations, even though the GGCMI Phase 2 dataset is constructed with uniform CTWN offsets, suggesting that the effects of changes in temperature and precipitation distributions are small relative to those of changing means. The resulting emulators therefore capture relevant crop model responses in a lightweight, computationally tractable form, providing a tool that can facilitate model comparison, diagnosis of interacting factors affecting yields, and integrated assessment of climate impacts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A Measurement of the Neutron Electromagnetic Form Factor Ratio from a Rosenbluth Technique with Simultaneous Detection of Neutrons and Protons

The internal structure of protons and neutrons provides insight into both the dynamical behavior of the constitute quarks and gluons, and emergent properties of the nucleons (such as mass, spin, and electromagnetic distributions). Elastic electron-nucleon scattering can probe the elastic electromagnetic form factors of the nucleon. The electric and magnetic form factors, respectively, encode information about the internal charge and magnetization distributions within the nucleon. Precision data for these form factors, over a broad range of the four-momentum transfer squared, Q^2, can benchmark theoretical models describing the strong interaction of nuclear physics. The Super BigBite Spectrometer (SBS) program in Hall A at Jefferson Lab, is a series of high-precision experiments which seek to significantly extend the Q^2 reach of previous data for the nucleon electromagnetic form factors. The first two experiments of this program are known as G_M^n and the neutron Two Photon Exchange (nTPE) and the data were collected from October 2021 to February 2022. Both experiments were conducted with the simultaneous measurement of D(e,e'n) and D(e,e'p) reactions for quasi-elastic electron-deuteron scattering. The scattered electrons were detected in the BigBite Spectrometer, which features multiple large-acceptance Gas Electron Multiplier (GEM) detectors. The Super BigBite Spectrometer provided simultaneous detection of scattered nucleons, and utilized a large acceptance dipole magnet and Hadron Calorimeter (HCal). The G_M^n experiment provides precision measurements of the neutron magnetic form factor, via the ratio method, over a Q^2 range of 3.0 to 13.5 (GeV/c)2. From this data analysis, preliminary values for G_M^n/µ_n G_D are extracted. For Q^2=4.48 (GeV/c)2 we find G_M^n/µ_n G_D=0.9546±0.0132 and for Q^2=4.476 (GeV/c)2 we find G_M^n/µ_n G_D=0.9563±0.0110. These preliminary G_M^n/µ_n G_D values are more precise than existing world data in this Q^2 regime and are consistent with the most recent parameterization of the G_M^n/µ_n G_D world data. The nTPE experiment provides a first measurement of the neutron Rosenbluth Slope and seeks to quantify the two-photon exchange(TPE) contribution to elastic electron-neutron scattering at a fixed Q^2=4.5 (GeV/c)2 with two different beam energies and scattering angle values. For data of the proton form factor ratio, µ_p G_E^p/G_M^p, significant discrepancies exist between values obtained from Rosenbluth Separation and polarization transfer measurement, particularly at large Q^2, and TPE contributions are thought to resolve this discrepancy. The impacts of TPE contributions have not yet been experimentally established for the neutron. From the data analysis presented in this dissertation, a preliminary result for the neutron Rosenbluth Slope is found as S^n=(G_E^n )^2/t_n (G_M^n )^2=0.0916±0.0476 for Q^2=4.48 (GeV/c)2. This value of the neutron Rosenbluth Slope is consistent with the world data extrapolation and the absence of large TPE corrections.

Wertz, Ezekiel [Thomas Jefferson National Accelera↗
DOE OSTI2026

Mergers Matter: Gravothermal Collapse in Dwarf Halos with Self-Interacting Dark Matter

Self-Interacting Dark Matter (SIDM) models with large cross sections at relative velocities below $\sim100\,{\rm km \, s}^{-1}$ can be tested with dwarf galaxy observations. We analyze six dark-matter-only zoom-in $\sim10^{10}\,{\rm M}_\odot$ halos with diverse assembly histories, adopting a cross section over mass of $σ/m = 70\,cm^2 \, g^{-1}$. We find that mergers inject orbital kinetic energy into the halo, altering the heat transport and the gravothermal evolution of the core. Three of the six halos -- those with the most quiescent merger histories -- show clear signs of core collapse in these simulations. Halos with sustained mergers do not collapse. Furthermore, merger-induced heat transport drives two non-collapsing halos to central densities well below the predictions of the gravothermal fluid model. These findings suggest a novel mechanism for producing dark-matter-deficient galaxies and expanding the diversity of rotation curves beyond what halo concentration alone predicts. Merger histories are thus essential for understanding central density distributions of dwarf galaxy halos in SIDM.

Silverman, Maya [UC, Irvine; Bohr Inst.] (ORCID:00↗
DOE OSTI2026

Predictive models of the genetic bases underlying budding yeast fitness in multiple environments

Abstract The ability of organisms to adapt and survive depends on the effects of genes and the environment on fitness. However, the multigenic nature of fitness and genotype-by-environment interactions hinder our understanding of the genetic basis of fitness. Here, we established fitness prediction models for 35 environments using machine learning and existing fitness data and different genetic variant types for a Saccharomyces cerevisiae population. Models revealed that the predictive ability of genetic variants varied across environments, with copy number variants explaining the majority of fitness variation in most cases. Model interpretation showed that different variant types identified distinct gene sets associated with predictive variants. These gene sets were significantly enriched in experimentally validated genes affecting fitness in only a subset of environments, indicating that many genes influencing fitness remain unexplored. Notably, non-experimentally validated genes were more important than validated ones for fitness predictions. Gene contributions to predictions were both isolate- and environment-dependent, pointing to gene-by-gene and gene-by-environment interactions. Furthermore, models uncovered experimentally validated and novel candidate genetic interactions for a well-characterized stress, the fungicide benomyl. These findings highlight the feasibility of identifying the genetic basis of fitness by using different genetic variant types and offer novel targets for future functional analysis.

DNA copy number variations↗
DOE OSTI2024

Assessing the Atmospheric Response to Subgrid Surface Heterogeneity in the Single-Column Community Earth System Model, Version 2 (CESM2)

Land-atmosphere interactions are central to the evolution of the atmospheric boundary layer and the subsequent formation of clouds and precipitation. Existing global climate models represent these connections with bulk approximations on coarse spatial scales, but observations suggest that small-scale variations in surface characteristics and co-located turbulent and momentum fluxes can significantly impact the atmosphere. Recent model development efforts have attempted to capture this phenomenon by coupling existing representations of subgrid-scale (SGS) heterogeneity between land and atmosphere models. Such approaches are in their infancy and it is not yet clear if they can produce a realistic atmospheric response to surface heterogeneity. Here, we implement a parameterization to capture the effects of SGS heterogeneity in the Community Earth System Model (CESM2), and compare single-column simulations against high-resolution Weather Research and Forecasting (WRF) large-eddy simulations (LESs), which we use as a proxy for observations. The CESM2 experiments increase the temperature and humidity variances in the lowest atmospheric levels, but the response is weaker than in WRF-LES. In part, this is attributed to an underestimate of surface heterogeneity in the land model due to a lack of SGS meteorology, a separation between deep and shallow convection schemes in the atmosphere, and a lack of explicitly represented mesoscale secondary circulations. These results highlight the complex processes involved in capturing the effects of SGS heterogeneity and suggest the need for parameterizations that communicate their influence not only at the surface but also vertically.

54 ENVIRONMENTAL SCIENCES↗