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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Reproducible benchmark for the SNAP 8 experimental reactor at operating conditions

This work presents fully reproducible multiphysics benchmark models of the Systems for Nuclear Auxiliary Power (SNAP) 8 Experimental Reactor at operating conditions with coolant flow. Wet experiment (with coolant, at power) validation benchmarks are presented using both deterministic (Serpent-Griffin) and Monte-Carlo (OpenMC-Cardinal) multiphysics frameworks coupled with thermal-hydraulic solvers in MOOSE. Reactivity coefficient measurements including fuel temperature, isothermal temperature, and power coefficients show good agreement with experiments, with discrepancies within experimental uncertainty. Reactivity worth experiments for coolant, samarium, and xenon poisoning are reproduced with differences under 200 pcm. Comparison between Serpent-Griffin and OpenMC-Cardinal frameworks reveal multiphysics coupling introduces positive reactivity effects (100-200 pcm) compared to uniform temperature and density fields at nominal operating conditions. Comparison between Serpent-Griffin and reference Serpent solution shows that power distributions maintain consistent radial and axial peaking behavior. All models, assumptions, thermophysical and thermomechanical properties, and material definitions are thoroughly documented with cited references; model inputs and model generating scripts are stored in the snapReactors GitHub repository.

SNAP↗
DOE OSTI2021

Screening and Validation of Molecular Targeted Radiosensitizers

The development of molecular targeted drugs with radiation and chemotherapy is critically important for improving the outcomes of patients with hard-to-treat, potentially curable cancers. However, too many preclinical studies have not translated into successful radiation oncology trials. Major contributing factors to this insufficiency include poor reproducibility of preclinical data, inadequate preclinical modeling of intertumoral genomic heterogeneity that influences treatment sensitivity in the clinic, and a reliance on tumor growth delay instead of local control (TCD50) endpoints. There exists an urgent need to overcome these barriers to facilitate successful clinical translation of targeted radiosensitizers. To this end, we have used 3-dimensional (3D) cell culture assays to better model tumor behavior in vivo. Examples of successful prediction of in vivo effects with these 3D assays include radiosensitization of head and neck cancers by inhibiting epidermal growth factor receptor or focal adhesion kinase signaling, and radioresistance associated with oncogenic mutation of KRAS. To address the issue of tumor heterogeneity, we leveraged institutional resources that allow high-throughput 3D screening of radiation combinations with small-molecule inhibitors across genomically characterized cell lines from lung, head and neck, and pancreatic cancers. This high-throughput screen is expected to uncover genomic biomarkers that will inform the successful clinical translation of targeted agents from the National Cancer Institute Cancer Therapy Evaluation Program portfolio and other sources. Screening “hits” need to be subjected to refinement studies that include clonogenic assays, addition of disease-specific chemotherapeutics, target/biomarker validation, and integration of patient-derived tumor models. The chemoradiosensitizing activities of the most promising drugs should be confirmed in TCD50 assays in xenograft models with or without relevant biomarker and using clinically relevant radiation fractionation. We predict that appropriately validated and biomarker-directed targeted therapies will have a higher likelihood than past efforts of being successfully incorporated into the standard management of hard-to-treat tumors.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Phase transitions in Schloegl's second model for autocatalysis on a Bethe lattice

Schloegl's second model (also known as the quadratic contact process) on a lattice involves spontaneous particle annihilation at rate p and autocatalytic particle creation at empty sites with n ≥ 2 occupied neighbors. The particle creation rate for exactly n occupied neighbors is selected here as n(n - 1)/[z(z - 1)] for lattice coordination number z. We analyze this model on a Bethe lattice. Precise behavior for stochastic models on regular periodic infinite lattices is usually surmised from kinetic Monte Carlo simulation on a finite lattice with periodic boundary conditions. However, the persistence of boundary effects for a Bethe lattice complicates this process, e.g., by inducing spatially heterogenous states. This motivates the exploration of various boundary conditions and unconventional simulation ensembles on the Bethe lattice to predict behavior for infinite size. Here, we focus on z = 3, and predict a discontinuous transition to the vacuum state on the infinite lattice when p exceeds a threshold value of around 0.053.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

What Makes You Hold on to That Old Car? Joint Insights From Machine Learning and Multinomial Logit on Vehicle-Level Transaction Decisions

What makes you hold on to that old car? While the vast majority of household vehicles are still powered by conventional internal combustion engines, the progress of adopting emerging vehicle technologies will critically depend on how soon the existing vehicles are transacted out of the household fleet. Leveraging a nationally representative longitudinal data set, the Panel Study of Income Dynamics, this study examines how household decisions to dispose of or replace a given vehicle are: 1) influenced by the vehicle’s attributes, 2) mediated by households’ concurrent socio-demographic and economic attributes, and 3) triggered by key life cycle events. Coupled with a newly developed machine learning interpretation tool, TreeExplainer, we demonstrate an innovative use of machine learning models to augment traditional logit modeling to both generate behavioral insights and improve model performance. We find the two gradient-boosting-based methods, CatBoost and LightGBM, are the best performing machine learning models for this problem. The multinomial logistic model can achieve similar performance levels after its model specification is informed by TreeExplainer. Both machine learning and multinomial logit models suggest that while older vehicles are more likely to be disposed of or replaced than newer ones, such probability decreases as the vehicles serve the family longer. Pickup trucks and sport utility vehicles are less likely to be disposed of or replaced than cars, and leased vehicles are more likely to be transacted than owned vehicles. We find that married families, families with higher education levels, homeowners, and older families tend to keep their vehicles longer. Life events such as childbirth, residential relocation, and change of household composition and income are found to increase vehicle disposal and/or replacement. We provide additional insights on the timing of vehicle replacement or disposal, in particular, the presence of children and childbirth events are more strongly associated with vehicle replacement among younger parents.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Wildfire towers drive firebrand lofting: insights from coupled fire-atmosphere model simulations

Wildfire behavior is shaped by complex fire dynamics, with firebrands playing a critical role in spot fire ignition and fire spread. While previous studies have explored firebrand generation and transport, the specific role of towers and troughs from wildland fires in the lofting of firebrands remains unquantified. This study addresses that gap by using physics-based coupled fire-atmosphere model simulations to examine how wildfire towers (updrafts) and troughs (downdrafts) influence firebrand lofting. Our results show that the majority of firebrands (78.85%) are lofted from towers, where strong updrafts drive long-range transport. In contrast, only 21.15% of firebrands are lofted within troughs, where downdrafts cause most firebrands to fall near the fireline. We also find that firebrand size significantly influences lofting behavior, with smaller particles (1 mm radius) exhibiting the strongest correlation with updraft intensity. These findings highlight the dominant role of wildfire towers in promoting long-distance firebrand dispersal—an essential factor in rapid wildfire growth and wildland-urban interface (WUI) fire risks. By quantifying the relationship between firebrand lofting and fire-induced atmospheric features, this study provides critical insights to improve spot fire modeling, support mitigation planning, and enhance firefighter and WUI community safety in spot fire-prone regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Tip‐Enhanced Imaging and Control of Infrared Strong Light‐Matter Interaction

Optical antenna resonators enable control of light‐matter interactions on the nano‐scale via electron–photon hybrid states in strong coupling. Specifically, mid‐infrared (MIR) nano‐antennas coupled to saturable intersubband transitions in multi‐quantum‐well (MQW) semiconductor heterostructures allow for the coupling strength to be tuned through antenna resonance and field intensity. Here, in this study, tip‐enhanced nano‐scale variation of antenna‐MQW coupling across the antenna is demonstrated, with a spatially‐dependent coupling strength $g_{\textrm{aq}}$ varying from 73 (strong coupling) to 24 cm -1 (weak coupling). This behavior is modeled based on the spatially dependent local constructive and destructive interference between tip and antenna fields. Using a quantum‐mechanical density‐matrix model of the MQW system with its designed values of transition dipole moment, doping density, and population decay time, the picosecond IR pulse coupling to intersubband transitions and the associated tip induced strong‐field saturation effects are described. These results present a new regime of nonlinear IR light‐matter control based on the dynamic manipulation of quantum hybrid states on the nanoscale and in the infrared, with a perspective regarding extension to molecular vibrations.

Wang, Yueying↗
DOE OSTI2024

Elastic thermobarometry on metapelites across the crustal section of the Famatinian Arc, Argentina

We applied elastic thermobarometry on garnet-bearing migmatites along two transects through the crustal section at Sierra Valle Fértil-La Huerta, Argentina. We performed quartz-in-garnet barometry and zircon-in-garnet thermometry on metapelites from different paleo-depths across the crustal section. Our work recovers entrapment pressures ranging from 240 to 1330 MPa and entrapment temperatures between 691 and 1574 °C. The entrapment conditions are broadly consistent with anticipated pressures and temperatures along the crustal section derived previously using conventional, thermodynamic thermobarometers. The quartz-in-garnet barometer reproduces those conventionally established entrapment conditions when samples only experienced conditions within the alpha-quartz stability field. Raman-derived pressures for samples that experienced beta-quartz reference conditions are commonly much higher than those established by conventional barometry. Samples that preserve compressive (positive) residual pressures best reproduce reference entrapment pressures. Entrapment temperatures show high variability and overestimation of temperature conditions compared to conventional results. These results indicate elastic thermobarometry over- or under-estimates crystallization conditions in rocks crystallized at high temperatures, as is common in the Famatinian Arc deep-crust. We suggest that modeling quartz behavior across the alpha–beta transition may present challenges, as does shape maturation, viscous deformation, and radiation damage in zircon.

58 GEOSCIENCES↗
DOE OSTI2021

Oxidation Behavior of Candidate NiCr Alloys for Engine Exhaust Valves: Part I—Effect of Minor Alloying Elements

Oxidation-induced degradation of structural materials employed as exhaust valves within internal combustion engines (ICEs) will be a relevant life-limiting mechanism, in addition to creep and mechanical fatigue, due to ever-increasing severity of operating temperatures and pressures. Ni–Cr-based alloys, which form external chromia-based scales at the relevant operating temperatures are being considered as suitable candidate materials. Thermal cycling of these alloys in water vapor-containing atmospheres, such as those present during hydrocarbon fuel combustion within ICEs, can considerably influence their oxidation behavior. Here, the role of typical alloying additions such as Mn, Si, Al and Ti on the cyclic oxidation behavior of model NiCr–X (X = Mn,Si,Al,Ti) alloys exposed in dry air and air + 10% H 2 O at 800°C and 950°C was investigated. Combined additions of Mn and Si reduced scaling rates compared to binary Ni–22Cr alloys. The presence of water vapor possibly suppressed formation of NiMnCr spinel and thereby the Cr depletion in the alloy. Combined Al and Ti additions mainly resulted in accelerated oxidation kinetics due to the Ti doping of chromia scales. More porous external scales were observed in water vapor leading to a much deeper depth of nitridation in the Ni–22Cr–Al–Ti alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding Self-Assembly and the Stabilization of Liquid/Liquid Interfaces: The Importance of Ligand Tail Branching and Oil-Phase Solvation

Organophosphorus-based ligands represent a versatile set of solvent extraction reagents whose chemical makeup plays an important role in extraction mechanism. We hypothesize that the branching of the extractant hydrophobic tail and its oil-phase solvation affect the liquid/liquid interfacial structure. Understanding the structure mediated adsorption and interfacial ordering becomes key in designing ligands with enhanced selectivity and efficiency for targeted extractions. We employed vibrational sum frequency generation spectroscopy and interfacial tension measurements to extract thermodynamic adsorption energies, map interfacial ordering, and rationalize disparate behaviors of model di-(2-ethylhexyl) phosphoric acid and dioctyl phosphoric acid ligands at the hexadecane water interface. With increased surface loading, ligands with branched hydrophobic tails formed stable interfaces at much lower concentrations than those observed for ligands with linear alkyl tails. The lack of an oil phase and associated solvation results in markedly different interfacial properties, and thus measurements made at air/liquid surfaces cannot be assumed to correlate with the processes occurring at buried liquid/liquid interfaces. Here, we attribute these differences in the surface mediated self-assembly to key variations in hydrophobic interactions and tail solvation taking place in the oil phase demonstrating that interactions in both the polar and nonpolar phases are essential to understand self-assembly and function.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Galvanic corrosion of AZ31B joined to dual-phase steel with and without Zn layer by ultrasonic and friction stir welding

Galvanic corrosion of AZ31B joined with bare or Zn-coated DP590 steel by ultrasonic spot welding or linear friction stir welding was quantitatively studied by pre-defining anode and cathode in the lap joint samples. Corrosion volume and depth from Mg anode surfaces exposed to 0.1 M sodium chloride solution was analyzed as functions of cathode surface type and welding method. Characterization of as-welded joints was performed to identify any microstructural feature of the bonding zone that could impact galvanic corrosion behavior. COMSOL modeling with modified user subroutine was conducted to simulate the progression of Mg corrosion in the same joint and electrode configurations used for the corrosion experiments. The experimental results indicated that Zn-coated cathode surface can reduce Mg galvanic corrosion significantly as galvanic polarization and cathodic current on Zn-coated surface remained relatively low for Mg in the weld joints. COMSOL modeling described the growth of Mg galvanic corrosion in a reasonable manner but showed limitation by underestimating the corrosion volume as it did not capture self-corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Characterization of high thermal conductivity fuel surrogates before and after ion irradiation

High thermal conductivity nuclear fuels offer important potential advantages over traditional oxide-based fuels such as higher burnup, reduction in fission gas release, and better overall safety of the system. One proposed approach to high thermal conductivity fuels utilizes high thermal conductivity nonfissile additives with UO 2 fuel to lower the fuel operating temperature and thereby take advantage of the highly favorable radiation resistance of UO 2 at lower operating temperatures. However, differential swelling in the matrix and high conductivity additive phases during high dose irradiation could lead to internal cracking and poor performance. In the current study, ceria (CeO 2 ) and zirconia (ZrO 2 ) surrogate matrices were used to model UO2 behavior. Additives of 10 vol. % Al 2 O 3 or SiC in the form of short fibers or platelets were used for the high conductivity second phase. The nuclear fuel surrogates were sintered to achieve densities greater than 93% of the ideal values. Scanning electron microscopy (SEM) imaging and X-ray diffraction confirmed the uniform distribution of the second phase and that no intermetallic second phase was formed during sintering. The thermal conductivity of the sintered samples was measured from 50 °C to 900 °C and confirmed the desirable increase compared to pure CeO 2 /ZrO 2 pellets. Samples were irradiated with 20 MeV Ni 6+ ions at midrange doses ranging from 1 to 15 displacements per atom (dpa) and temperatures from 300 °C to 700 °C. Post irradiation characterization revealed a good stability of the samples at low to medium doses with matrix lattice parameter swelling of < 0.14 % but showed a significant microstructural deterioration and decrease of the mechanical properties at 15 dpa.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Formation of helices with controllable chirality in gel-fiber composites

While microscale helices with specified chirality are pervasive in biological systems, driving purely synthetic materials to self-organize into such useful structures remains a significant challenge. Through theory and simulations, we model the behavior of initially flat ribbons of gel-fiber composites and show that these materials self-organize into three-dimensional helices with the application of heat. We specifically focus on thermo-responsive gels, which shrink when heated to a point near the lower critical solubility temperature (LCST). Within the composite, regions of the LCST gel that lie far from the fibers can readily shrink in response to the increased temperature; however, near the fibers the network is inhibited from undergoing the heat-induced collapse. This competition between the constrained and the unconstrained regions of the heated sample plays a vital role in the structural evolution of the material. Additionally, we find that this dynamic process can be controlled through the careful placement of the fibers on the outer surface of the gel. We specifically identify fiber arrangements that lead to the formation of helical structures with controlled chirality. Moreover, we isolate scenarios where constraining the movement of one or both the free ends of the sample promotes and stabilizes the formation of helical structures with specified handedness. Such structurally tailored composites are useful for creating mechanically robust actuators, and “appendages” for soft robots that can controllably curl and uncurl with variations in temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Gas Evolution in Water Electrolysis

Gas bubbles generated by the hydrogen evolution reaction and oxygen evolution reaction during water electrolysis influence the energy conversion efficiency of hydrogen production. Here we survey what is known about the interaction of gas bubbles and electrode surfaces and the influence of gas evolution on practicable devices used for water electrolysis. Here, we survey the physical processes occurring during the life cycle of a bubble, summarize techniques used to characterize gas evolution phenomena in-situ and in practical device environments, and discuss ways that electrodes can be tailored to facilitate gas removal at high current densities. Lastly, we summarize efforts to model the behavior of individual gas bubbles and multiphase flows produced at gas evolving electrodes. We conclude our review with a short summary of outstanding questions which could be answered by future efforts to characterize gas evolution in electrochemical device environments or by improved simulations of multiphase flows.

Bubbles↗
DOE OSTI2023

Unexpected Kinetic Solvent Effects Enhance Activity and Selectivity in Biphasic Systems

Biphasic dehydration of fructose to 5-hydroxymethylfurfural (HMF) has shown unprecedented increases in productivity, but a mechanistic understanding is lacking. Herein, we couple fast experimental reaction kinetics, multiscale modeling (phase behavior, classical molecular dynamics(MD), and quantum mechanics/molecular mechanics MD), in situ sampling, and IR and 13 C-NMR spectroscopy to elucidate the complex effects of nonpolar extracting organic solvents on the kinetics of fructose dehydration. We show that these organic solvents can reach significant mutual solubility with water at reaction temperatures, enabling the partition of the sugar and catalyst into the extracting phase. In the organic-rich environment, the dehydration of fructose proceeds faster and more selectively than in water due to increased relative abundance of the reactive furanose isomer, enhanced water–catalyst–substrate interactions driven by nanophase separation, and higher product stability stemming from preferential solvation. Furthermore, we demonstrate that these solvent effects impact other critical biphasic reactions in biomass upgrading and provide qualitative principles for solvent selection.

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

Observations of Offshore Low‐Level Jets Off the U.S. East Coast Reveal Systematic Biases in ERA5 and HRRR

Low-level jets (LLJs)—wind speed maxima typically occurring a few hundred meters above the surface—are common off the U.S. East Coast and influence many atmospheric processes with societal importance, including cloud formation, aviation safety, and search-and-rescue. However, their vertical structure and frequency remain poorly quantified due to limited offshore observations. This study presents new scanning Doppler LiDAR and infrared spectroradiometer data from the 2024 summer deployment of an offshore barge during the Wind Forecast Improvement Project 3. These coupled wind and temperature profiles provide unprecedented resolution to assess LLJ behavior and model performance. LLJs occurred in over 21% of observed profiles, with a weak diurnal preference for nighttime and early morning hours and maximum winds typically near 300 m. Both ERA5 and High-Resolution Rapid Refresh analysis underestimate jet wind speeds and misrepresent the boundary layer thermal structure. These results highlight persistent model biases and the critical need for high-resolution offshore observations.

17 WIND ENERGY↗
DOE OSTI2022

Platinum nanoparticle compression: Combining in situ TEM and atomistic modeling

The mechanical behavior of nanoparticles governs their performance and stability in many applications. However, the small sizes of technologically relevant nanoparticles, with diameters in the range of 10 nm or less, significantly complicate experimental examination. These small nanoparticles are difficult to manipulate onto commercial test platforms and deform at loads that are below the typical noise floor of the testing instruments. Here, we synthesized small platinum nanoparticles directly onto a mechanical tester and used a modified nanomanipulator to enhance load resolution to the nanonewton scale. We demonstrated the in situ compression of an 11.5-nm platinum nanoparticle with simultaneous high-resolution measurements of load and particle morphology. Molecular dynamics simulations were performed on similarly sized particles to achieve complementary measurements of load and morphology, along with atomic resolution of dislocations. The experimental and simulation results revealed comparable values for the critical resolved shear stress for failure, 1.28 and 1.15 GPa, respectively. Altogether, this investigation demonstrated the promise of, and some initial results from, the combination of atomistic simulations and in situ experiments with an unprecedented combination of high spatial resolution and high load resolution to understand the behavior of metal nanoparticles under compression.

42 ENGINEERING↗
DOE OSTI2024

A Gaussian process guide for signal regression in magnetic fusion

Extracting reliable information from diagnostic data in tokamaks is critical for understanding, analyzing, and controlling the behavior of fusion plasmas and validating models describing that behavior. Recent interest within the fusion community has focused on the use of principled statistical methods, such as Gaussian process regression (GPR), to attempt to develop sharper, more reliable, and more rigorous tools for examining the complex observed behavior in these systems. While GPR is an enormously powerful tool, there is also the danger of drawing fragile, or inconsistent conclusions from naive GPR fits that are not driven by principled treatments. Here we review the fundamental concepts underlying GPR in a way that may be useful for broad-ranging applications in fusion science. We also revisit how GPR is developed for profile fitting in tokamaks. We examine various extensions and targeted modifications applicable to experimental observations in the edge of the DIII-D tokamak. Finally, we discuss best practices for applying GPR to fusion data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Seeking help for perinatal depression and anxiety: a systematic review of systematic reviews from an interdependent perspective

Abstract Background Seeking help for perinatal mood and anxiety disorders is crucial for women’s mental health and babies’ development, yet many women do not seek help for their condition and remain undiagnosed and untreated. This systematic review of systematic reviews aimed at summarizing and synthesizing findings from all systematic reviews on seeking help for PMAD in the context of interdependence theory, highlighting the interdependent relationship between women and healthcare providers and how it may impact women’s seeking-help process. Methods Four electronic databases were searched, and 18 studies published up to 2023 met inclusion criteria for review. Results The capability, opportunity and motivation model of behavior was used as a framework for organizing and presenting the results. Results demonstrate that seeking help for PMAD is a function of the interdependent relationship between perinatal women’s and healthcare providers’ psychological and physical capabilities, social and physical opportunities, and their reflective and automatic motivation. Conclusions Unmet needs in perinatal mental healthcare is an important public health problem. This systematic review of systematic reviews highlights key factors for policymakers, researchers, and practitioners to consider to optimize healthcare systems and interventions in a way that enhances perinatal women’s treatment whenever necessary.

Bina, Rena (ORCID:0000000340729229)↗