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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

First Measurement of 87 Rb( α , xn ) Cross Sections at Weak r -process Energies in Supernova ν -driven Ejecta to Investigate Elemental Abundances in Low-metallicity Stars

Observed abundances of Z ∼ 40 elements in metal-poor stars vary from star to star, indicating that the rapid and slow neutron capture processes may not contribute alone to the synthesis of elements beyond iron. The weak r-process was proposed to produce Z ∼ 40 elements in a subset of old stars. Thought to occur in the ν-driven ejecta of a core-collapse supernova, ( α, xn ) reactions would drive the nuclear flow toward heavier masses at T = 2−5 GK. However, current comparisons between modeled and observed yields do not bring satisfactory insights into the stellar environment, mainly due to the uncertainties of the nuclear physics inputs where the dispersion in a given reaction rate often exceeds 1 order of magnitude. Involved rates are calculated with the statistical model where the choice of an α -optical-model potential ( α OMP) leads to such a poor precision. The first experiment on 87 Rb( α, xn ) reactions at weak r -process energies is reported here. Total inclusive cross sections were assessed at E c.m. = 8.1−13 MeV (3.7−7.6 GK) with the active target MUlti-Sampling Ionization Chamber. With an N = 50 seed nucleus, the measured values agree with statistical model estimates using the α OMP Atomki-V2. A reevaluated reaction rate was incorporated into new nucleosynthesis calculations, focusing on ν-driven ejecta conditions known to be sensitive to this specific rate. These conditions were found to fail to reproduce the lighter heavy element abundances in metal-poor stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Role of Sea‐Surface Salinity in Simulating Historical Decadal Variations of Atlantic Meridional Overturning Circulation in a Coupled Climate Model

Abstract Extending climate prediction from seasonal to decadal timescales requires realistic initialization of not only upper ocean heat content but also the Atlantic meridional overturning circulation (AMOC). However, it remains a major challenge to realistically initialize AMOC in a coupled system while also maintaining a balanced atmosphere‐ocean initial state. This study demonstrates the feasibility of generating fully coupled historical states with realistic AMOC variability. Employing a forced ocean—sea‐ice (FOSI) model simulation as the “truth,” we show reproducibility of key features of historical AMOC decadal variability in a fully coupled model by restoring sea‐surface salinity, in addition to sea‐surface temperature restoring widely used in seasonal prediction. The atmospheric state of the restored coupled model solution is much closer to that of the free coupled simulation than to the observations used in FOSI, pointing to potential advantages of using this approach for initializing decadal predictions with reduced ocean initialization shock.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Decay and renormalization of a longitudinal mode in a quasi-two-dimensional antiferromagnet

Abstract An ongoing challenge in the study of quantum materials, is to reveal and explain collective quantum effects in spin systems where interactions between different modes types are important. Here we approach this problem through a combined experimental and theoretical study of interacting transverse and longitudinal modes in an easy-plane quantum magnet near a continuous quantum phase transition. Our inelastic neutron scattering measurements of Ba 2 FeSi 2 O 7 reveal the emergence, decay, and renormalization of a longitudinal mode throughout the Brillouin zone. The decay of the longitudinal mode is particularly pronounced at the zone center. To account for the many-body effects of the interacting low-energy modes in anisotropic magnets, we generalize the standard spin-wave theory. The measured mode decay and renormalization is reproduced by including all one-loop corrections. The theoretical framework developed here is broadly applicable to quantum magnets with more than one type of low energy mode.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nonlinear excitation of energetic particle driven geodesic acoustic mode by resonance overlap with Alfvén instability in ASDEX Upgrade

The Alfvén instability nonlinearly excited the energetic-particle-driven geodesic acoustic mode on the ASDEX-Upgrade tokamak, as demonstrated experimentally. The mechanism of the energetic-particle-driven geodesic acoustic mode excitation and the mode nonlinear evolution is not yet fully understood. In the present work, a first-principles simulation using the MEGA code investigated the mode properties in both the linear growth and nonlinear saturated phases. Here we show that the simulation successfully reproduced the excitation and coexistence of these two modes, and agreed with the experimental results well. Conclusive evidence showed that the resonance overlap is the excitation mechanism of the energetic-particle-driven geodesic acoustic mode. In the linear growth phase, energetic particles that satisfied different resonance conditions excited the Alfvén instability, which then caused energetic particle redistribution in phase space. These redistributed energetic particles caused resonance overlap, exciting the energetic-particle-driven geodesic acoustic mode in the nonlinear phase.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Summertime Continental Shallow Cumulus Cloud Detection Using GOES-16 Satellite and Ground-Based Stereo Cameras at the DOE ARM Southern Great Plains Site

Summertime continental shallow cumulus clouds (ShCu) are detected using Geostationary Operational Environmental Satellite (GOES)-16 reflectance data, with cross-validation by observations from ground-based stereo cameras at the Department of Energy Atmospheric Radiation Measurement Southern Great Plains site. A ShCu cloudy pixel is identified when the GOES reflectance exceeds the clear-sky surface reflectance by a reflectance detection threshold of ShCu, ΔR. We firstly construct diurnally varying clear-sky surface reflectance maps and then estimate the ΔR. A GOES simulator is designed, projecting the clouds reconstructed by stereo cameras towards the surface along the satellite’s slanted viewing direction. The dynamic ShCu detection threshold ΔR is determined by making the GOES cloud fraction (CF) equal to the CF from the GOES simulator. Although there are temporal variabilities in ΔR, cloud fractions and cloud size distributions can be well reproduced using a constant ΔR value of 0.045. The method presented in this study enables daytime ShCu detection, which is usually falsely reported as clear sky in the GOES-16 cloud mask data product. Using this method, a new ShCu dataset can be generated to bridge the observational gap in detecting ShCu, which may transition into deep precipitating clouds, and to facilitate further studies on ShCu development over heterogenous land surface.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

A High-Fidelity Molecular Model of the Cu(111) Repeating Unit

Dynamic processes at surfaces are central to heterogeneous catalysis, but their atomistic mechanism(s) can prove difficult to elucidate due to variations in material structure and the corresponding impact on reactivity. Moreover, disparities between reaction conditions and those employed for spectroscopic characterization at surfaces can inhibit detailed understanding of catalysis-relevant chemistries. Herein, we substantiate the so-called “cluster-surface” analogy by leveraging a low-valent tricopper architecture ( 1 ) as a model system for small molecule activation at Cu(111). Two reaction classes are explored: the adsorption of carbon monoxide (CO) and the dissociative adsorption of dihydrogen (H 2 ). These processes serve as an ideal testbed to compare the reactivity of a molecular cluster ( 1 ) to that of a heterogeneous surface, as both reactions have empirical data from measurements performed on crystalline Cu(111). Cluster 1 reversibly binds CO. Variable temperature NMR analysis with 13 CO reveals a favorable enthalpy but large negative entropy (−5.1 kcal × mol –1 and −22.9 cal × mol –1 × K –1 , respectively) for CO binding, affording a process that is marginally endergonic at room temperature (ΔG ads (298.15 K) = 1.7 ± 0.5 kcal × mol –1 ). Similarly, analogous to a Cu(111) surface, 1 is shown to oxidatively add (chemisorb) H 2 . Kinetic parameters were determined for this process and the activation enthalpy (8.4 ± 0.5 kcal × mol –1 ) closely mirrors that established for H 2 binding at the Cu(111) facet (6.0 to 12.4 kcal × mol –1 ). Together, these results showcase that a trinuclear cluster can reproduce the small molecule binding and activation energetics of a bulk crystalline surface, setting the stage for studying less-defined surface processes in an atomically precise molecular setting.

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

Performance assessment of PHITS simulations for the inverse-kinematic p( 7 Li,n) 7 Be reaction based on fast-neutron measurements with a diamond detector

The inverse-kinematics p( 7 Li,n) 7 Be reaction produces forward-focused neutron emission, offering enhanced usable flux and reduced shielding requirements. Reliable simulation of such neutron fields is essential for the development of compact accelerator-based neutron sources. In this study, a PHITS-based simulation framework for the reaction was experimentally assessed using fast-neutron measurements. Forward-directed neutrons were measured with a diamond neutron detector and quantitatively compared with simulations with newly prepared IK-Frag cross-section file based on the proton-induced reaction data in ENDF/B-VIII.1, TENDL-2023, and JENDL-4.0/HE. Measurements and simulations were performed for incident 7 Li 3+ energies ranging from 15.0 to 25.0 MeV using a 50 μm-thick polypropylene target. For all conditions, the PHITS-based simulation framework reproduced the deposited energy spectra at the correct order of magnitude. The comparison of deposited energy spectra in the diamond detector showed high correlation coefficients across all investigated energies, indicating reasonable agreement in spectral shape between simulations and measurements. This work represents an initial step toward establishing a benchmark for PHITS simulations of the inverse kinematic reaction between an incident lithium-ion and a proton target.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Genome-wide profiling of histone (H3) lysine 4 (K4) tri-methylation (me3) under drought, heat, and combined stresses in switchgrass

Background: Switchgrass (Panicum virgatum L.) is a warm-season perennial (C4) grass identified as an important biofuel crop in the United States. It is well adapted to the marginal environment where heat and moisture stresses predominantly affect crop growth. However, the underlying molecular mechanisms associated with heat and drought stress tolerance still need to be fully understood in switchgrass. The methylation of H3K4 is often associated with transcriptional activation of genes, including stress-responsive. Therefore, this study aimed to analyze genome-wide histone H3K4-tri-methylation in switchgrass under heat, drought, and combined stress. Results: In total, ~ 1.3 million H3K4me3 peaks were identified in this study using SICER. Among them, 7,342; 6,510; and 8,536 peaks responded under drought (DT), drought and heat (DTHT), and heat (HT) stresses, respectively. Most DT and DTHT peaks spanned 0 to + 2000 bases from the transcription start site [TSS]. By comparing differentially marked peaks with RNA-Seq data, we identified peaks associated with genes: 155 DT-responsive peaks with 118 DT-responsive genes, 121 DTHT-responsive peaks with 110 DTHT-responsive genes, and 175 HT-responsive peaks with 136 HT-responsive genes. We have identified various transcription factors involved in DT, DTHT, and HT stresses. Gene Ontology analysis using the AgriGO revealed that most genes belonged to biological processes. Most annotated peaks belonged to metabolite interconversion, RNA metabolism, transporter, protein modifying, defense/immunity, membrane traffic protein, transmembrane signal receptor, and transcriptional regulator protein families. Further, we identified significant peaks associated with TFs, hormones, signaling, fatty acid and carbohydrate metabolism, and secondary metabolites. qRT-PCR analysis revealed the relative expressions of six abiotic stress-responsive genes (transketolase, chromatin remodeling factor-CDH3, fatty-acid desaturase A, transmembrane protein 14C, beta-amylase 1, and integrase-type DNA binding protein genes) that were significantly (P < 0.05) marked during drought, heat, and combined stresses by comparing stress-induced against un-stressed and input controls. Conclusion: Our study provides a comprehensive and reproducible epigenomic analysis of drought, heat, and combined stress responses in switchgrass. Significant enrichment of H3K4me3 peaks downstream of the TSS of protein-coding genes was observed. In addition, the cost-effective experimental design, modified ChIP-Seq approach, and analyses presented here can serve as a prototype for other non-model plant species for conducting stress studies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Model Data for the Mesh Convergence Study Demonstrating Benefits of Mixed-polyhedral Mesh in Integrated Hydrology Simulations

This archived model data is related to a study introducing a unique method that employs a stream-aligned mixed-polyhedral mesh to effectively and accurately represent river valleys, stream corridors, and narrow engineered channels in integrated hydrology simulations. The study finds that utilizing stream-aligned mixed-polyhedral meshes in integrated hydrology simulations achieves accuracy on par with a finely refined TIN-based mesh while markedly diminishing computational costs. This archive contains scripts and data files needed to generate the ATS model input, including mesh and ATS input files, for all mesh scenarios using the Watershed Workflow package. Additionally, this archive also provides key outputs from the model simulations that are used in the analysis and post-processing scripts to reproduce figures in the manuscript. The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts. The input files for the ATS model, open-source integrated hydrology, and transport model are in XML format and can be edited in any commonly used text editors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Simulations of Sweeping Wave Propagation in a Boron Carbide Plate

In February 2020, experiments were conducted at Los Alamos National Laboratory measuring the propagation of a sweeping wave through a plate of boron carbide which was induced by detonating an adjacent charge of high explosive. Six such shots were red and in each case progress of the wave along the exposed surface of the plate was tracked using photon doppler velocimetry (PDV). In this report we discuss calculations performed using the Lagrangian hydrocode FLAG to model data taken from these experiments. We discuss the models chosen for the different experimental components, the choice of mesh (focusing on, both, two- and three-dimensional geometries), and compare the results from these calculations to experimentally-extracted PDV traces. Notably, we find that the PDV traces for this experiment are most faithfully reproduced using the full three-dimensional geometry, even when the mesh resolution for the three-dimensional calculations was significantly lower than the resolution for the corresponding two-dimensional calculations. We attribute this to the geometry of the experimental setup. Moreover, we find only negligible differences for the PDV traces obtained using the sesame table equation of state for boron carbide and the Gruneisen equation of state.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Laser Altimetry Sampling Strategies over Sea Ice

With the conclusion of the science phase of the Ice, Cloud and land Elevation Satellite (ICESat) mission in late 2009, and the planned launch of ICESat-2 in late 2015, NASA has recently established the IceBridge program to provide continuity between missions. A major goal of IceBridge is to obtain a sea-ice thickness time series via airborne surveys over the Arctic and Southern Oceans. Typically two laser altimeters, the Airborne Topographic Mapper (ATM) and the Land, Vegetation and Ice Sensor (LVIS), are utilized during IceBridge flights. Using laser altimetry simulations of conventional analogue systems such as ICESat, LVIS and ATM, with the multi-beam system proposed for ICESat-2, we investigate differences in measurements gathered at varying spatial resolutions and the impact on sea-ice freeboard. We assess the ability of each system to reproduce the elevation distributions of two seaice models and discuss potential biases in lead detection and sea-surface elevation, arising from variable footprint size and spacing. The conventional systems accurately reproduce mean freeboard over 25km length scales, while ICESat-2 offers considerable improvements over its predecessor ICESat. In particular, its dense along-track sampling of the surface will allow flexibility in the algorithmic approaches taken to optimize the signal-to-noise ratio for accurate and precise freeboard retrieval.

Farrell, Sinead L.↗
DOE OSTI2024

Developing a Redox Network for Coastal Saltmarsh Systems in the PFLOTRAN Reaction Model

Coastal ecosystems have been largely ignored in Earth system models but are important zones for carbon and nutrient processing. Interactions between water, microbes, soil, sediments, and vegetation are important for mechanistic representation of coastal processes and ecosystem function. To investigate the role of these feedbacks, we used a reactive transport model (PFLOTRAN) that has the capability to be connected to the Energy Exascale Earth System Model (E3SM). PFLOTRAN was used to incorporate redox reactions and track chemical species important for coastal ecosystems as well as define simple representations of vegetation dynamics. Here our goal was to incorporate oxygen flux, salinity, pH, sulfur cycling, and methane production along with plant-mediated transport of gases and tidal flux. Using porewater profile and incubation data for model calibration and evaluation, we were able to create depth-resolved biogeochemical soil profiles for saltmarsh habitat and use this updated representation to simulate direct and indirect effects of elevated CO 2 and temperature on subsurface biogeochemical cycling. We found that simply changing the partial pressure of CO 2 or increasing temperature in the model did not fully reproduce observed changes in the porewater profile, but the inclusion of plant or microbial responses to CO 2 and temperature manipulations was more accurate in representing porewater concentrations. This indicates the importance of characterizing tightly coupled vegetation-subsurface processes for developing predictive understanding and the need for measurement of plant-soil interactions on the same time scale to understand how hotspots or moments are generated.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Quantum annealing-assisted lattice optimization

High Entropy Alloys (HEAs) have drawn great interest due to their exceptional properties compared to conventional materials. The configuration of HEA system is considered a key to their superior properties, but exhausting all possible configurations of atom coordinates and species to find the ground energy state is extremely challenging. In this work, we proposed a quantum annealing-assisted lattice optimization (QALO) algorithm, which is an active learning framework that integrates the Field-aware Factorization Machine (FFM) as the surrogate model for lattice energy prediction, Quantum Annealing (QA) as an optimizer and Machine Learning Potential (MLP) for ground truth energy calculation. By applying our algorithm to the NbMoTaW alloy, we reproduced the Nb depletion and W enrichment observed in bulk HEA. We found our optimized HEAs to have superior mechanical properties compared to the randomly generated alloy configurations. Our algorithm highlights the potential of quantum computing in materials design and discovery, laying a foundation for further exploring and optimizing structure-property relationships.

36 MATERIALS SCIENCE↗
DOE OSTI2024

X-ray diffraction under grazing incidence conditions

Material properties frequently relate to structures at or near surfaces, particularly in thin films. As a result, it is essential to understand these structures at the molecular and atomistic levels. The most accurate and widely used techniques for characterizing crystallographic order are based on X-ray diffraction. When dealing with thin films or interfaces, standard approaches, such as single crystal or powder diffraction, are not suitable. However, X-ray diffraction under grazing incidence conditions can provide the required information. Here, in this Primer, grazing incidence X-ray diffraction (GIXD) is comprehensively introduced, starting from basic considerations on X-ray diffraction at crystals with reduced dimensionality and the optical properties of X-rays, followed by a more in-depth description of an experimental performance, including X-ray sources, goniometers and detectors. Experimental errors, limitations and reproducibility are discussed. Various applications, from highly ordered inorganic single crystal surfaces to weakly ordered polymer thin films, are presented to illustrate the potential of GIXD. Data visualizations, representations and evaluation strategies are summarized, based on the example of anthracene thin films. The Primer compiles information relevant to perform high-quality GIXD experiments, evaluate data and interpret results, to extend knowledge about X-ray diffraction from surfaces, interfaces and thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electron emission from particles strongly affects the electron energy distribution in dusty plasmas

The electron energy distribution of a low-temperature dusty plasma has been measured via a Langmuir probe. An unexpected broad peak at energy in the 2–4 V range has been observed. This can be theoretically reproduced for a sufficiently large electron emission rate from the nanoparticles dispersed in the plasma. A careful analysis of the nanoparticle energy balance, using measured values of nanoparticle concentration and plasma density, confirms that particles are sufficiently hot under the conditions of this study to rapidly inject electrons into the plasma via field-assisted thermionic emission. This work suggests that the presence of dust affects the plasma ionization balance more deeply than previously thought.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Surrogate Model Integration with MOOSE XFEM for Creep Crack Growth

Ferritic-martensitic steels are key structural materials for advanced reactors but experience time-dependent deformation and damage under prolonged high temperature and irradiation, leading to creep-driven crack initiation and growth. High-fidelity models—crystal plasticity with irradiation mechanisms, phase-field for microstructural evolution, and continuum-damage viscoplasticity—capture the underlying physics but are too computationally intensive for broad design-space exploration and uncertainty quantification. This milestone advances a scalable alternative by integrating a microstructure-sensitive surrogate creep model into the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework and extending it to fracture via the extended finite element method (XFEM). The surrogate model, developed with collaborators at Sandia and Los Alamos National Laboratories, maps relevant microstructural descriptors to the viscoplastic response of HT9. We embed this surrogate within a coupled deformation-damage workflow in MOOSE/XFEM to simulate creep-driven crack initiation and propagation. Implementation enhancements include updates to the material interface, a plastic correction phase involving microstructure evolution, and fracture criteria to ensure numerical robustness and compatibility with the surrogate structure. Demonstrations on canonical creep benchmarks spanning uniaxial and multiaxial states show that the surrogate reproduces key trends of high-fidelity models while substantially reducing computational cost. The resulting capability bridges physics fidelity and performance, providing a practical path to a predictive, microstructure-aware assessment of creep and fracture in reactor materials.

36 - MATERIALS SCIENCE↗
NASA NTRS1997

Soot Formation in Freely-Propagating Laminar Premixed Flames

Soot formation within hydrocarbon-fueled flames is an important unresolved problem of combustion science. Thus, the present study is considering soot formation in freely-propagating laminar premixed flames, exploiting the microgravity environment to simplify measurements at the high-pressure conditions of interest for many practical applications. The findings of the investigation are relevant to reducing emissions of soot and continuum radiation from combustion processes, to improving terrestrial and spacecraft fire safety, and to developing methods of computational combustion, among others. Laminar premixed flames are attractive for studying soot formation because they are simple one-dimensional flows that are computationally tractable for detailed numerical simulations. Nevertheless, studying soot-containing burner-stabilized laminar premixed flames is problematical: spatial resolution and residence times are limited at the pressures of interest for practical applications, flame structure is sensitive to minor burner construction details so that experimental reproducibility is not very good, consistent burner behavior over the lengthy test programs needed to measure soot formation properties is hard to achieve, and burners have poor durability. Fortunately, many of these problems are mitigated for soot-containing, freely-propagating laminar premixed flames. The present investigation seeks to extend work in this laboratory for various soot processes in flames by observing soot formation in freely-propagating laminar premixed flames. Measurements are being made at both Normal Gravity (NG) and MicroGravity (MG), using a short-drop free-fall facility to provide MG conditions.

Lin, K.-C.↗