Search NASA⌕ Search

SEARCH · Search NASA

Results for “and nuclear chemistry”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

1,699 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The Intrinsic Sizes of Odd Radio Circles

Abstract A new class of sources, the so-called odd radio circles (ORCs), have been discovered by recent sensitive, large-area radio continuum surveys. The distances of these sources have so far relied on photometric redshifts of optical galaxies found at the centers of or near ORCs. Here we present Gemini rest-frame optical spectroscopy of six galaxies at the centers of, or potentially associated with, the first five ORC discoveries. We supplement this with Legacy Survey imaging and Prospector fits to theirgriz+W1/W2 photometry. Of the three ORCs with central galaxies, all lie at distances (z= 0.27–0.55) that confirm the large intrinsic diameters of the radio circles (300–500 kpc). The central galaxies are massive (M * ∼ 10 11 M ☉ ), red, unobscured ellipticals with old (≳1 Gyr) stellar populations. They have LINER spectral types that are shock-powered or active galactic nucleus (AGN)-powered. All three host low-luminosity, radio-quiet AGN. The similarity of their central galaxies is consistent with a common origin, perhaps as a blast wave from an ancient starburst. The other two ORCs are adjacent and have no prominent central galaxies. However, thez= 0.25 disk galaxy that lies between them hosts a Type 2, moderate-luminosity AGN. They may instead be the lobes of a radio jet from this AGN.

Astronomy & Astrophysics↗
DOE OSTI2023

Correlating Impacts of Injected Fuels on Carbon Emissions in Blast Furnace with Computational Fluid Dynamics Modeling

A major challenge for steelmaking is the reduction of CO 2 emissions. In this regard, the blast furnace (BF) is critical due to the high associated CO 2 levels. This investigation assesses the impact of tuyere‐injected fuels on BF CO 2 emissions. Specifically, computational fluid dynamics results obtained previously at Purdue University Northwest are analyzed to obtain CO 2 emissions when natural gas (NG), syngas, hydrogen, or hydrogen/NG are injected. CO 2 emissions are compared with those produced when 95 kg of NG/thm is injected. Among these scenarios, the largest CO 2 reduction occurs when 102 kg of syngas/thm (COG feedstock #1) is injected at 973 K, reducing CO 2 by 190.6 kg thm −1 . The largest CO 2 reduction obtained with NG occurs when 130 kg thm −1 is injected at 600 K, reducing emissions by 65 kg thm −1 . H 2 injection also reduces CO 2 , but requires careful adjusting to reach stable operation. For instance, injecting 35 kg of H 2 /thm reduces CO 2 by 52 kg thm −1 . Increasing gaseous injection rates can significantly reduce CO 2 emissions, with fuel preheating providing an addendum, but high injection rates can lead to unstable operation. Furthermore, results show a correlation between CO 2 emissions and average temperature of shaft region for multiple fuels and injection conditions.

Metallurgy & Metallurgical Engineering↗
DOE OSTI2026

Challenges for Megawatt-Scale Artificial Intelligence Rack Infrastructure

As artificial intelligence (AI) computing densities continue to increase, industry is pursuing megawatt-scale rack architectures that require tightly coordinated advances in electrical power delivery, thermal management, operations, and infrastructure integration. This document summarizes the primary technical challenges for achieving this target.

Nawaz, Kashif [ORNL] (ORCID:0000000251612491)↗
DOE OSTI2026

Study of wrap mode impact on Pseudomonas aeruginosa motion in the chemotactic field of fungi

An agent-based discrete computational model biologically calibrated to Pseudomonas aeruginosa migration is used to explore the impacts of bacterial reversals and wrap mode on the efficiency of motion in different environments, both with and without chemotaxis. It is first shown that wrap mode increases the exploration of continuous multimodal chemotactic profiles such as those produced by biologically relevant fungal networks. For cells undergoing a run-reverse pattern, it is shown that the bacteria are likely to remain at the first local chemoattractant maximal production site on a hypha they find. However, with wrap mode, the bacteria can more easily escape these local sites to further explore their neighboring environment along the fungi, suggesting that wrap mode may be beneficial for migration along the fungi in liquid. In a different set of simulations of bacterial motion close to an isolated chemotactic source, wrap mode is shown to increase the ability of a bacterium to reorient toward the source while reducing the overall motion required for similar chemotactic efficiency as a run-reverse strategy, suggesting a potential metabolic benefit. In contrast, model simulations show that wrap mode can increase the rate of dispersal of P. aeruginosa in a nonchemotactic environment.

Hansen, Austin [University of California, Riversid↗
DOE OSTI2024

Radiation-induced alteration of apatite on the surface of Mars: first in situ observations with SuperCam Raman onboard Perseverance

Abstract Planetary exploration relies considerably on mineral characterization to advance our understanding of the solar system, the planets and their evolution. Thus, we must understand past and present processes that can alter materials exposed on the surface, affecting space mission data. Here, we analyze the first dataset monitoring the evolution of a known mineral target in situ on the Martian surface, brought there as a SuperCam calibration target onboard the Perseverance rover. We used Raman spectroscopy to monitor the crystalline state of a synthetic apatite sample over the first 950 Martian days (sols) of the Mars2020 mission. We note significant variations in the Raman spectra acquired on this target, specifically a decrease in the relative contribution of the Raman signal to the total signal. These observations are consistent with the results of a UV-irradiation test performed in the laboratory under conditions mimicking ambient Martian conditions. We conclude that the observed evolution reflects an alteration of the material, specifically the creation of electronic defects, due to its exposure to the Martian environment and, in particular, UV irradiation. This ongoing process of alteration of the Martian surface needs to be taken into account for mineralogical space mission data analysis.

Science & Technology - Other Topics↗
DOE OSTI2026

Domestically Manufactured Fuel Cells for Heavy Duty Applications

This project, funded by the U.S. Department of Energy under Award DE-EE0009248, advances the domestic development of fuel-cell stack technologies for heavy-duty transportation applications. The work directly supports the Million-Mile Fuel Cell Truck (M2FCT) initiative by improving performance, durability, and manufacturability—key requirements for next-generation hydrogen fuel-cell systems.

08 HYDROGEN↗
DOE OSTI2026

Neutron detector response modeling in NOvA

Neutrons can present a significant challenge for neutrino experiments in which energy reconstruction is critical. With the ability to escape detection completely and with a weak correlation between their kinetic energy and any eventual energy deposition, it is difficult to fully account for neutrons produced in neutrino interactions. This in turn leads to significant model dependence when evaluating neutron-related systematic uncertainties. The NOvA experiment is a long-baseline neutrino oscillation experiment with a high-statistics sample of antineutrino data collected by its near detector. We report an excess relative to data of simulated neutron candidates with low energy depositions when using standard Geant4 physics lists. The simulation excess is traced to an overabundance of secondary photons produced from interactions of neutrons with kinetic energy greater than \SI{20}{\mega\eV}. Improved agreement with data is obtained by applying the data-driven neutron-on-carbon \menate model for neutrons between \SI{20}{\mega\eV} and ${\sim}$\SI{100}{\mega\eV}. With \menate, the residual oversimulation is more uniform across the calorimetric neutron energy spectrum, suggesting possible overproduction of primary neutrons by the GENIE neutrino interaction generator. These results motivate the adoption of \menate-supplemented Geant4 simulation as the nominal simulation in the production of future \nova simulation.

Abubakar, S.↗
DOE OSTI2026

Preliminary Assessment for the Electric Load Shifting Potential of Integrating Thermal Energy Storage with Heat Pumps in Residential Buildings in Texas of United States

The widespread adoption of electric-driven heat pumps for heating and cooling is expected to significantly increase electric demand. Cooling electric demand will result in an increase in peak hours electric loads, placing additional strain on the grid during peak hours. This challenge, combined with the current rapidly increasing demand from data centers, exacerbates the electric demand duck curve problem. Integrating thermal energy storage (TES) with heat pump can shift electric use for heating and cooling from peak to off-peak hours of the electric grid, which can help flatten the daily electric demand profile of a building. This paper presents a novel design that integrates heat pump with TES (HP-TES), which uses phase change materials (PCM). Heat pump charges TES by melting or freezing PCM during off-peak hours when there is no thermal demand from the building. TES is then discharged (i.e., by freezing or melting PCM) during peak hours to provide a more favorable heat source or heat sink for the heat pump to meet the thermal demand of the building with lower electricity use than conventional air-source heat pumps. Computer simulations were developed to predict the performance of HP-TES applied to a typical single-family house in the US. The building-level simulation results were scaled up to preliminarily assess the aggregated impacts of deploying HP-TES across all single-family houses in Texas of the United States, including reduction of peak demand of the electric grid.

Anees, Fady [ORNL]↗
DOE OSTI2023

Nonlinear Loss Engineering in Near‐Zero‐Index Bulk Materials

Transparent conducting oxides (TCOs) show unprecedented optical nonlinearities in the near infrared wavelength range, where the real part of their linear refractive index approaches zero. More specifically, the Kerr nonlinearities of these materials have sparked widespread attention due to their magnitude and speed. However, due to the absorptive nature of these nonlinear processes, it is of fundamental interest to further investigate the imaginary component of the nonlinear index. The present work studies the nonlinear optical absorption properties of aluminium‐doped zinc oxide (AZO) thin films in their near‐zero‐index (NZI) spectral window. It is found that the imaginary part of the refractive index is reduced under optical excitation such that the field penetration depth more than doubles. An optically induced shift of the NZI bandwidth of ≈120 nm for a pump intensity of 1.3 TW cm −2 is also demonstrated. Looking into the optically induced spectral redistribution of the probe signal, local net gain is recorded, which is ascribed to a nonlinear adiabatic energy transfer. The present study adds key information about the fundamental interplay between real and imaginary nonlinear indices in NZI media, while advancing parametric amplification as viable direction for loss compensation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mechanical, Electrochemical & Thermal Modeling of Electric Vehicle Batteries for Crash Simulation (CRADA CRD-19-00811 Final Report)

Under the proposed effort in partnership with Hyundai Motor Company (HMC), the National Laboratory of the Rockies (NLR) will cooperate with HMC to develop mathematical models for battery cells and modules for simulating abuse response in batteries subject to the type of mechanical crushing that can occur in a full motor vehicle crash.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Echo state network for coarsening dynamics of charge density waves

An echo state network (ESN) is a type of reservoir computer that uses a recurrent neural network with a sparsely connected hidden layer. Compared with other recurrent neural networks, one great advantage of ESN is the simplicity of its training process. Yet, despite the seemingly restricted learnable parameters, ESN has been shown to successfully capture the spatial-temporal dynamics of complex patterns. Here we build an ESN to model the coarsening dynamics of charge-density waves (CDWs) in a semiclassical Holstein model, which exhibits a checkerboard electron density modulation at half-filling stabilized by a commensurate lattice distortion. The inputs to the ESN are local CDW order parameters in a finite neighborhood centered around a given site, while the output is the predicted CDW order of the center site at the next time step. Special care is taken in the design of couplings between hidden layer and input nodes to ensure lattice symmetries are properly incorporated into the ESN model. Since the model predictions depend only on CDW configurations of a finite domain, the ESN is scalable and transferrable in the sense that a model trained on dataset from a small system can be directly applied to dynamical simulations on larger lattices. Furthermore, our work opens avenues for efficient dynamical modeling of pattern formations in functional electron materials.

2-dimensional systems↗
DOE OSTI2025

Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine-learning interatomic potentials

Mn-rich disordered rocksalt (DRX) cathode materials exhibit a phase transformation from a disordered to a partially disordered spinel-like structure (δ-phase) during electrochemical cycling. Here, in this computational study, we use charge-informed molecular dynamics with a fine-tuned CHGNet foundation potential to investigate the phase transformation in LixMn 0.8 Ti 0.1 O 1.9 F 0.1 . Our results indicate that transition metal migration occurs and reorders to form the spinel-like ordering in an FCC anion framework. The transformed structure contains a higher concentration of nontransition metal (0-TM) face-sharing channels, which are known to improve Li transport kinetics. Analysis of the Mn valence distribution suggests that the appearance of tetrahedral Mn 2+ is a consequence of spinel-like ordering, rather than the trigger for cation migration as previously suggested. Calculated equilibrium intercalation voltage profiles demonstrate that the δ-phase, unlike the ordered spinel, exhibits solid-solution signatures at low voltage. A higher Li capacity is obtained than in the DRX phase. This study provides atomic insights into solid-state phase transformation and its relation to experimental electrochemistry, highlighting the potential of machine-learning interatomic potentials for understanding complex oxide materials.

Zhong, Peichen [University of California, Berkeley↗
DOE OSTI2026

Mechanical, Electrochemical & Thermal Models - Training (CRADA CRD-19-00798 Final Report)

Under the proposed effort in partnership with Hyundai Motor Company (HMC), the National Renewable Energy Laboratory (NLR) will host Dr. Jaeyoung Lim from HMC for a period of one year to jointly develop mathematical models for battery cells and modules subject to mechanical crush. NLR will assist with the development of mathematical models that Dr. Lim will incorporate into his research effort on new concepts of mobility with electric vehicles.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Operando neutron radiography validates a parameter-free transport–kinetics model for thick solid-state battery cathodes

Tortuosity-weighted interfacial flux for lithium (TWIF-Li) predicts through-thickness Li gradients in thick composite all-solid-state cathodes without fitted parameters. Image-derived microstructures, GITT-derived concentration-dependent solid diffusion, and tortuosity-weighted interfacial kinetics reproduce operando neutron radiography across practical rates, delivering transferable design rules to suppress transport-limited reaction fronts.

Adam, Andre [ORNL] (ORCID:0000000245023033)↗
DOE OSTI2026

First Wall Design of a Tokamak Pilot Plant Using a Monte Carlo Model for 3-D Heat Flux Deposition

We present a method for calculating the heat fluxes deposited on nonaxisymmetric tokamak first wall components, allowing for a first-of-its-kind model for power handling in the tokamak far scrape-off layer (SOL). The DIV3D Monte Carlo model features strict global power conservation and can calculate the finite cross-field plasma transport into magnetically-shadowed regions, which is significant when dealing with meter-scale shadows introduced by components such as poloidal limiters or antennas. As a case study, we apply the DIV3D model to inform the distribution of first wall poloidal limiters in an ARC-class reactor device. We demonstrate that discrete protection limiters can efficiently reduce peak heat fluxes on recessed breeder wall components in the presence of significant far-SOL plasma fluxes. By varying the toroidal periodicity and radial standoff depth of the limiters, we demonstrate one of the tradeoffs that must be considered in first wall design: more limiters provide greater protection, but at the cost of reduced breeding performance. We also present the impact that radial misalignments between limiters would have on first wall power loading.

Monte Carlo methods↗
DOE OSTI2024

Coercivity enhancement in hematite/permalloy heterostructures across the Morin transition

Interfacial effects between antiferromagnetic (AFM) and ferromagnetic (FM) materials have long been a center of magnetism studies. Aside from the exchange bias occurring at the AFM/FM interface, controlling the coercivity is another significant topic in magnetic recordings. The coercivity of FM materials is often determined through varying grain size, alloy composition, density of defects, etc., which is set during material growth and offers limited room for modification after growth. Hematite (α - Fe 2 O 3 ) is an AFM material that undergoes a temperature-controlled spin-flip transition, the so-called Morin transition. This transition gives an extra degree of freedom making hematite an intriguing component to study the exchange coupling when interfaced with an FM material. Here, in this work, changes in the magnetic properties of soft magnetic permalloy (Ni 81 Fe 19 , or Py) thin films grown on hematite were studied across the Morin transition. Surprisingly, these samples showed a remarkable change in coercivity during the Morin transition. We attribute this effect to the magnetic domain mixture of hematite during the Morin transition. Our findings present a novel method of controlling the coercivity of plain ferromagnetic thin films.

Antiferromagnet↗
DOE OSTI2026

Evaluation of 3D pixel silicon sensors for the CMS Phase-2 Inner Tracker

The high-luminosity upgrade of the CERN LHC requires the replacement of the CMS tracking detector to cope with the increased radiation fluence while maintaining its excellent performance. An extensive R&D program, aiming at using 3D pixel silicon sensors in the innermost barrel layer of the detector, has been carried out by CMS in collaboration with the FBK (Trento, Italy) and CNM (Barcelona, Spain) foundries. The sensors will feature a pixel cell size of 25 × 100 µm 2 , with a centrally located electrode connected to the readout chip. The sensors are read out by the RD53A and CROCv1 chips, developed in 65 nm CMOS technology by the RD53 Collaboration, a joint effort between the ATLAS and CMS groups. This paper reports the results achieved in beam test experiments before and after irradiation, up to a fluence of approximately 2 . 6 × 1 0 16 n eq /cm 2 . Measurements of assemblies irradiated to a fluence of 1 × 10 16 n˙eq/cm 2 show a hit detection efficiency higher than 96% at normal incidence, with fewer than 2% of channels masked, across a bias voltage range greater than 50 V . Even after irradiation to a higher fluence of 1.6 × 10 16 n˙eq/cm 2 , similar performance is maintained over a bias voltage range of 30 V , remaining well within CMS requirements.

3D pixel↗