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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reduce-Order Modeling of Multigroup Neutron Cross Sections for High-Temperature Gas-cooled Reactors

Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which usually consists of a database of tabulated values, used to calculate the cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of micro cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. To address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multi-group cross section data across isotopes, reaction types and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs for have been trained for all isotopes in this work and systematic Griffin testing is ongoing at this moment to ensure the feasibility of this ROM technique for cross section predictions.

42 - ENGINEERING↗
DOE OSTI2025

Diagrammatic Monte Carlo Approach to Real‐frequency Response Functions and the Spin‐Fermion Model of Hot Spots (Final Report)

This three‐year research project was focused on two outstanding condensed matter problems (i) Real‐frequency response functions in Coulomb systems at finite temperature, and Fermi surface (FS) reconstruction in the Spin-Fermion (SF) model. The uniform electron gas (jellium) model, describing electrons interacting via long‐range Coulomb forces on positive neutralizing background, is fundamentally important both for understanding the physics of correlated electrons and for formulation of the time‐dependent density functional theory (TDDFT). The spin-fermion model has found a wide range of applications in the physics of cuprates and iron‐based superconductors to explain the “strange metal" behavior and to suggest a possible pairing mechanism for high‐temperature superconductivity. The project’s goals were development and application of the Diagrammatic Monte Carlo (DiagMC) techniques for solving the above problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Developing Science-based fueling protocols for 250-bar hydrogen tanks onboard hydrogen ferries: Experiments and modeling

Combined modeling and experimental studies are reported of the fueling of a large (28 kg capacity) 250-bar Type IV hydrogen tank of the type being deployed on early hydrogen ferries, such as the MV Sea Change. The primary goal was to determine how such tanks can be successfully fueled with hydrogen (state of charge greater than 97%) within 45 minutes without exceeding the 82 °C temperature limit for such tanks. The modeling studies show that a gas injector is needed to avoid thermal stratification during hydrogen fueling which can result in potential hot spots. Empirically, precooling of the hydrogen to 0 °C was found to be needed in some of the cases examined, as ambient conditions greatly affected the need for a precooling to achieve the 45-minute fill time desired by end users. The experimental results afforded a calibration of the engineering model SOFIL for these large 250-bar tanks, which now enables using SOFIL to predict volume-averaged hydrogen fueling temperatures to an accuracy of ±2.7°C for these tanks. The model can therefore be used to evaluate potential scenarios for development of a standardized fueling methodology for ferries utilizing large Type-IV tanks.

08 HYDROGEN↗
DOE OSTI2025

Experimental investigation on phase change material–based finned tube heat exchanger for thermal energy storage and building envelope thermal management

Phase change materials (PCMs) are attractive solutions for thermal energy storage (TES) applications by absorbing and releasing large amounts of latent heat during solid–liquid phase transitions. However, their relatively low thermal conductivity requires novel heat exchanger–based solutions to improve the power density and overall energy storage efficiency of the TES system. This work presents the design and experimental results of a finned tube heat exchanger to store collected natural thermal energy from a building envelope in a latent-based TES and to release it later for building heating/cooling applications. We experimentally evaluate the finned tube heat exchanger and evaluate the performance of TES in reducing building heating and cooling loads over 3–4 h of desired time of operation (e.g., peak load). The optimized design allows for maximum energy density by minimizing the heat exchanger volume, and the system is evaluated experimentally using commercially available heat exchanger materials and an organic PCM. Here, the experimental results reveal that the TES system is able to charge and discharge stored latent energy within 3–4 h, matching peak building electricity demand duration under an average fluid flow rate of 0.136 kg/s and temperature difference of 5.55 °C. Importantly, such optimized designs illuminate a path toward TES designs that are low-cost, scalable, and optimized for thermal energy and power availability under the desired time of operation.

25 ENERGY STORAGE↗
DOE OSTI2025

Interplay between hydrogen, temperature, and character angle on dissociated dislocation energies in Fe–Ni–Cr austenitic stainless steels

Dislocation energy has an important role in the mechanical performance of structural metals. While dislocation energies cannot be fully obtained from continuum theories due to the contribution of the dislocation core, they have been calculated via atomistic simulations in elemental metals. However, constraints on the local atomic environments have prevented the use of such approaches in systems that incorporate alloying or interstitial solutes. In this work, we develop robust molecular dynamics methods to resolve these issues through a geometric construction of dislocation dipoles and the calculation of time-averaged energies. Furthermore, we apply these methods to calculate dislocation energies (including core energies) in an Fe 70 Ni 11 Cr 19 austenitic steel at a variety of character angles, hydrogen concentrations, temperatures, and dipole spacings. The resulting highly converged energies show an excellent agreement with continuum expressions. Overall, hydrogen concentrations up to 1.0 % do not have a significant effect on the elastic parameters and dislocation energy. The methods and insights derived in this work have the potential to facilitate the calculation of dislocation energies in a wide range of systems, and to guide our understanding of hydrogen embrittlement.

Alloyed systems↗
DOE OSTI2024

Design and validation of a cold load for characterization of cosmic microwave background stage 4 detectors

We present the design and validation of a variable temperature cryogenic blackbody source, hereinafter called a cold load, that will be used to characterize detectors to be deployed by cosmic microwave background stage 4 (CMB-S4), the next-generation ground-based cosmic microwave background (CMB) experiment. Although cold loads have been used for detector characterization by previous CMB experiments, this cold load has three innovative design features: (1) the ability to operate from the 1-K stage of a dilution refrigerator (DR), (2) a He3 gas-gap heat switch to reduce cooling time, and (3) the ability to couple small external optical signals to measure detector optical time constants under low optical loading. The efficacy of this design was validated using a 150-GHz detector array previously deployed by the Spider experiment. Thermal tests showed that the cold load can be heated to temperatures required for characterizing CMB-S4’s detectors without significantly impacting the temperatures of other cryogenic stages when mounted to the DR’s 1-K stage. In addition, optical tests demonstrated that external signals can be coupled to a detector array through the cold load without imparting a significant optical load on the detectors, which will enable measurements of the CMB-S4 detectors’ optical time constants.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Association of short-term ambient environmental exposures with suicide and drug overdose deaths among U.S. Veterans

This study examined associations between short-term ambient environmental exposures and suicide (n = 3210) and overdose mortality (n = 4293; 2226 opioid-related) among U.S. Veterans from 2018 to 2019. Daily exposure to 24-hour maximum temperature, average atmospheric pressure, average fine particulate matter (PM 2.5 ), 1-hour maximum nitrogen dioxide (NO 2 ), and 8-hour maximum ozone (O 3 ) was assessed at the decedent's county of residence on the day of death and up to 6 days prior. A national bi-directional, time-stratified case-crossover design was applied. Conditional logistic regression models estimated associations between each exposure and suicide or overdose deaths, overall, and stratified by season, region, elevation, and urbanicity. Over lag days 0-1, an interquartile range increase in maximum temperature was associated with increased suicide (19%) and overdose (27%) mortality, with stronger summer effects for suicide (55%) and overdose (71%). In winter, interquartile range increases in atmospheric pressure, PM 2.5 , and NO 2 were associated with 104%, 15%, and 19% increases in suicide mortality. Maximum temperature was associated with a 22% increase in suicide risk in metropolitan areas and 57% in the Western U.S., while NO 2 was associated with a 26% increase in overdose mortality in nonmetropolitan areas. Findings suggest environmental stressors contribute to suicide and overdose mortality among Veterans, supporting environmentally informed prevention efforts.

air pollution↗
DOE OSTI2026

Linking DSC/TGA to Cell Levels: Energetics, Evolved Gases, and Thermal Safety of NMC811‐Graphite Micro‐Cell

Thermochemical characterization of battery materials links intrinsic material properties to decomposition pathways, heat generation, and gas evolution that govern performance and safety. Despite extensive work on NMC811-Graphite, variability across partial configurations and the limited adoption of micro-cell architectures (cathode+anode+electrolyte+separator) hinder robust cell-scale interpretation. Accordingly, this work establishes a bottom-up, component-resolved methodology integrating DSC/TGA, evolved gas analysis (EGA), and in situ XRD to link decomposition pathways and energy release across partial and micro-cell configurations, providing a transferable assessment of safety and stability in emerging chemistries. In separator-free configurations, the gas–solid reaction between cathode-evolved O 2 and anode-leached Li dominates the net heat release (1139 J g −1 ). In contrast, in the micro-cell configuration, the separator hinders O 2 transport and alters the timing and pathways of other reactions, and reduces the net energy release to 618 J g −1 . Energy release was organized into defined temperature windows that provide a framework for a thermodynamic model combining quantified gas evolution with selected decomposition pathways and effective reaction enthalpies to estimate net specific energy release, with agreement between DSC and cell-level tests. Ex situ XPS of heat-treated samples extends post-mortem analysis to thermal-abuse regimes, supporting key pathway elements.

25 ENERGY STORAGE↗
DOE OSTI2025

Impurity Powder Injection Experiments in the Large Helical Device

The Impurity Powder Dropper (IPD) is a device capable of injecting controlled amounts of sub-millimetre powder into the plasma under the action of gravity. In 2019 the IPD was first installed on the Large Helical Device (LHD) in Japan, with the aim of improving the plasma performances through real time boronization and assessing the compatibility of this technique with steady state operation. Extensive series of experiments have been performed using the IPD, focused on the improvement of the plasma performance via low-Z powder injection and the understanding of the underlying physical phenomena. In this article, we review the experiments that took place in the period 2019-2024. The main results include the demonstration of the improvement of the wall conditions (reduction of intrinsic impurity content, wall recycling) both on a shot-to-shot basis and in real time. Furthermore, a reduced-turbulence improved confinement regime has been observed coincident with powder injection, resulting in an increase of the plasma temperature of the order of 25%, with enhancements that can reach up to 50% for ion temperature.

Nespoli, F. [Princeton Plasma Physics Laboratory (↗
DOE OSTI2024

Effects of Plume Targeted Cooling on Residual Stress in Controlled Atmosphere Plasma Sprayed Coatings

Thermal spray processes can benefit from cooling to maintain substrate temper, reduce processing times, and manage thermally induced residual stresses. “Plume quenching” is a plume-targeted cooling technique which has been shown to reduce substrate temperatures by redirection of hot plume gases using a lateral argon curtain injected into the plume, while limiting interaction with the substrate or affecting coating properties. Here, this study explores the use of this technique for residual stress management by reducing the thermally driven component in nickel and tantalum coatings on titanium and aluminum substrates. The in-situ residual stress profiles were measured for all substrate and coating pairings during spraying and cooling, and the deposition and thermal stresses recorded. For substrate and coating pairings where the predominant component of residual stress was thermal (driven by a large difference in coefficient of thermal expansion, Δα, between coating and substrate), plume quenching reduced both the thermal stress and the final stress state of the coating. This was seen primarily in tantalum on aluminum coatings where the Δα was -17 × 10 -6 /°C, and thermal stress was reduced by 7.5% and 22.4% for the plume quenching rates of 50 and 100 slpm, respectively.

42 ENGINEERING↗
DOE OSTI2026

Fabrication, oxidation, and combustion of nanoscale magnesium diboride and tetraboride

The difficult ignition and low combustion efficiency of boron particles decrease the performance of boron-loaded, fuel-rich propellants for solid fuel ramjets and ducted rockets. One approach to solving this problem involves the use of magnesium diboride (MgB 2 ), which ignites easier than boron. Magnesium tetraboride (MgB 4 ) offers greater energy density owing to its higher boron content. However, the effect of B/Mg ratio on the ignition and combustion is unknown. Additionally, while nanoscale MgB₂ particles and quasi-2D structures are promising energetic additives, the oxidation and combustion properties of nanoscale MgB₄ have not been explored. To address these knowledge gaps, the present work included synthesis and high-energy ball milling of MgB 2 and MgB 4 powders, thermogravimetric analysis (TGA) of their oxidation, and combustion experiments with thin layers of the obtained powders. Comparison of two synthesis routes (a solid-state reaction in a tube furnace and combustion synthesis) has shown that the former is the superior method for producing magnesium borides. TGA has revealed that oxidation of both MgB 2 and MgB 4 results in a high conversion into the oxides (88–91 %), far exceeding the low conversion of boron (62.5 %). MgB 4 begins to oxidize rapidly at a much lower temperature (∼900 °C) than MgB 2 (∼1200 °C). The burning rates of milled MgB 2 and MgB 4 are about eight and five times, respectively, faster than that of submicron boron. Magnesium borides exhibit a stable, sustained boron flame, needed for high combustion efficiency, whereas physical Mg/B mixtures undergo Mg-driven "flash" combustion.

Boron↗
DOE OSTI2026

The solubility of NdPO 4 and DyPO 4 and stability of Nd and Dy chloride and hydroxyl complexes as a function of pH and salinity to 450 °C

The mobility of rare earth elements (REE) in geological systems is often controlled by the stability of monazite and xenotime, which are important hosts for the light and heavy REE. These REE phosphates constitute important resources and provide information on ore formation conditions and timing due to their uses as geothermometers and geochronometers. While the thermodynamic properties for these minerals are well-established up to high temperature and pressure, the properties for the aqueous REE complexes are not well constrained with limited information up to 300 °C. In this study, the solubility of synthetic NdPO 4 and DyPO 4 endmembers were measured in hydrothermal sub- to supercritical NaCl-bearing aqueous solutions from 350 at saturated water vapor pressure to 450 °C at 700 bar. The speciation of Nd and Dy was determined in acidic to alkaline solutions (pH 25 °C values from 2 to 10), and indicates that the hydroxyl species REE(OH) 2 + and REE(OH) 3 0 predominate at low salinity (0.01 mol/kg NaCl) with some contribution of REE chloride species REECl 2+ and REECl 2 + in acidic fluids. The REE phosphate solubility measured in these experiments is up to two orders of magnitude higher than predicted using existing thermodynamic properties from literature for aqueous species extrapolated from lower temperature data to supercritical conditions. To address this discrepancy, the thermodynamic properties of the REE aqueous species were optimized using GEMSFITS to derive the formation constants for the REE chloride (β Cl ) and hydroxyl (β OH ) complexes in the studied temperature range. This study highlights the importance of the hydroxyl species REE(OH) 2 + and REE(OH) 3 0 over a wide range of pH and temperature. As a result, the revised thermodynamic properties for Dy and Nd chloride and hydroxyl species more accurately predict the solubility of NdPO 4 and DyPO 4 and provide insight into the speciation and mobility of the light and heavy REE in hydrothermal supercritical fluids in the crust.

58 GEOSCIENCES↗
DOE OSTI2025

Measurement of Spray Chamber Ignition Delay and Cetane Numbers for Aviation Turbine Fuels

Experiments using pure compounds, National Jet Fuels Combustion Program (NJFCP) test fuels, and commercial jet fuels were conducted to demonstrate the equivalence of the indicated cetane number (ICN) and derived cetane number (DCN) for jet fuels. The calibrated range for ICN was also extended to lower cetane number (CN) values (5 to 35) to allow CN quantification for jet fuel synthetic blending components (SBCs) with low CN. ICN and DCN were shown to be highly correlated for values above about 30. This study presents the most comprehensive comparison of these two methods published to date. Because of the importance of low-volume test methods for early-stage SBC production process development, we demonstrated that ICN and DCN can be accurately measured with 15 mL of fuel, well below 40 to 100 mL required by standard methods. ICN or DCN is important for jet fuels because fuels with lower CN are more prone to lean blowout (LBO), an undesirable operational failure in a jet engine. Comparing data on a fuel-to-air ratio (Φ) at LBO for the NJFCP fuels shows similar linear correlations for ICN and DCN. Ignition delay measurements at lower-pressure and higher-temperature conditions may be more directly relevant to LBO. At 675 °C, 0.5 MPa, and a global Φ of roughly 0.68, ignition delay time correlations to LBO were similar to those produced from DCN and ICN. A much weaker correlation was obtained with a global Φ value of 0.34.

09 BIOMASS FUELS↗
DOE OSTI2026

Grand Challenges and Opportunities in Stimulated Dynamic and Resonant Catalysis

Traditional heterogeneous catalysis is constrained by kinetic and thermodynamic limits, such as the Sabatier principle and reaction equilibrium. Dynamic and resonant catalysts hold promise to overcome these limitations by actively oscillating a catalyst’s physical or electronic structure at the time scale of the catalytic cycle, allowing programmable control over reaction pathways, and leading to improved rate and selectivity. External stimuli such as temperature swing, mechanical strain, electric charge, and light can perturb catalyst surfaces in different ways, altering adsorbate coverage, binding energies, and transition states beyond what steady-state catalysis allows. This work surveys the current state of dynamic catalysis, introduces the concept of “ stimulando ” characterization for observing transient dynamics, and outlines key modeling, mechanistic, and benchmarking strategies to advance the field toward improved chemical transformation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Ferroaxial density wave from intertwined charge and orbital order in rare-earth tritellurides

The discovery of the axial amplitude mode—commonly referred to as the Higgs mode—in charge density wave systems, such as rare-earth tritellurides, indicates the presence of a hidden order. A theoretical study proposed that this axial Higgs mode arises from a hidden orbital texture of the charge density wave, which produces a ferroaxial charge order. However, experimental evidence for the specific hidden order has been lacking. Here, we demonstrate a ferroaxial order of electronic origin throughout the rare-earth tritellurides. In ErTe 3 and HoTe 3 , which exhibit two distinct charge density waves with different ordering temperatures, a detailed investigation shows that the high-temperature charge order phase breaks translational, rotational and all vertical as well as diagonal mirror symmetries. Furthermore, this phase produces an axial Higgs mode and an axial electronic gap. By contrast, the low-temperature phase breaks only translational symmetry and gives rise to a scalar Higgs mode. Notably, both phases preserve the space inversion and time-reversal symmetries. These findings are consistent with a ferroaxial phase driven by coupled orbital and charge orders, highlighting the role of Higgs modes in revealing hidden orders in systems with intertwined charge density waves.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A kinetic line-driven radiation operator and its application to Gyrokinetics

A velocity dependent, kinetic model for line radiation is developed for continuum kinetic codes. It has been implemented in the full-f gyrokinetic code Gkeyll. The total radiation for a charge state is modeled as an advection in velocity space with a form of $\nabla_v \cdot(v\nu(v)f(v))$, guaranteeing particle conservation. The velocity dependence (in the form of an effective frequency $\nu(v)$) is found through fitting the energy loss of the operator, i.e. the second velocity moment, to the radiation data in the OpenADAS database. Therefore, each individual transition does not need to be evaluated every time step, significantly reducing the computational cost of including line radiation in a kinetic model. The dependence on velocity instead of the usual, temperature, allows the radiation to be computed from non-Maxwellian electron distribution functions: We benchmark the model against a collisional radiative model using isotropic non-Maxwellian distribution functions. A velocity dependent model of radiation can more accurately describe the radiation in the more kinetic regimes expected in reactor-scale devices. The velocity dependence qualitatively captures the quantum mechanical need for a minimum velocity before any radiation occurs.

kinetic↗
DOE OSTI2026

Application of Peracetic Acid in Poultry Processing: Effects of Treatment Dynamics and Emerging Risk of Resistance Development in Salmonella spp.

Nontyphoidal Salmonella is a leading cause of foodborne illness, with poultry representing a major source. Peracetic acid (PAA), a widely adopted antimicrobial in poultry processing, offers advantages over traditional disinfectants but has sparked interest in its combined use with other antimicrobials and potential resistance. This review evaluates the efficacy of PAA in mitigating Salmonella in combination with other food-grade antimicrobials, explores possible synergism, efficacy under varying treatment parameters, resistance development against PAA, and its role in resistance evolution. While PAA demonstrates broad-spectrum efficacy, its performance varies with environmental parameters; higher temperatures generally enhance antimicrobial action but also accelerate PAA degradation. Organic matter diminishes PAA efficacy by reactive quenching. Variability in concentration and contact time further influences outcomes. Despite its oxidative mode of action and presumed low risk for resistance, emerging studies indicate that Salmonella can develop adaptive tolerance and potential cross/coresistance following repeated or sublethal exposure to PAA. These adaptations may involve genetic upregulation of oxidative stress response pathways, efflux systems, and modifications in cell membrane integrity, raising concerns about the long-term sustainability of PAA use. Additionally, combinatorial treatments (e.g., PAA with UV-C, enzymes, or organic acids) show promise in enhancing efficacy while mitigating resistance risks. Despite recognition of PAA's safety and effectiveness, knowledge gaps remain regarding standardized resistance definitions, serotype-specific tolerance, and optimal intervention strategies in commercial settings. Therefore, there is a need for standardized testing protocols, robust studies on potential resistance, and further exploration of synergistic PAA applications to ensure sustained poultry product safety and public health protection.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2026

OES CO 2 Pipeline FEED Project Design Basis Memorandum

The OES CO₂ Pipeline project will move captured carbon dioxide from two ethanol facilities near Gibson City, Illinois, roughly 7.8 miles southeast to three injection wells outside Anchor, where it will be permanently stored underground. The system is designed to handle up to 4.5 million metric tonnes per year of dense-phase CO₂ at pressures up to 2,500 psig, using 16-inch mainline pipe and 10.750-inch laterals made from API 5L X-60 and X-65 steel. Wall thicknesses vary depending on location, with thinner pipe in open country, heavier wall at road crossings, and the heaviest where the pipe passes under highways or railroads via horizontal directional drill. The pipe gets a fusion-bonded epoxy coating, with an added abrasion-resistant layer wherever it's bored or drilled. Major water crossings will use HDD rather than open trenching. The pipeline will be cathodically protected, equipped with SCADA-compatible pressure and temperature instrumentation, and monitored for leaks using a computational pipeline monitoring system per API RP 1130. Hydrostatic testing will be performed at 1.25 times design pressure, and an ILI caliper run will follow to catch any construction defects. Several items, including fracture toughness requirements, specific NDE methods, and ILI tool selection, are left for the detailed design phase. The whole system falls under 49 CFR Part 195 and ASME B31.4, and Gulf Interstate Engineering prepared this document as the FEED-level design basis under the CarbonSAFE Phase III program.

09 BIOMASS FUELS↗