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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Slip delocalization and diffusion mediated carbide formation during fatigue of a nickel-base superalloy

Fatigue crack initiation at high temperatures occurs at microscopic fatigue shear bands that form near twin boundaries in polycrystalline nickel-base superalloys that contain minimal metallurgical defects. The associated dislocation sub-structure is complex and dependent on thermal and mechanical conditions. Here we show the formation of fine-scale carbide precipitates along these fatigue shear bands in a nickel-base superalloy during fatigue above 650 °C. The formation of carbide precipitates is studied using calculations of bulk and pipe diffusion. The contribution of pipe diffusion is observed to be critical in the formation of fine-scale carbides and occurs coincident with the delocalization of slip during fatigue.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bi‐Continuous W‐Rich Refractory High Entropy Alloy‐Cu Composite: Toward Material Innovation of Nuclear Reactor Coolant System

Abstract Refractory high‐entropy alloys (RHEAs) are considered promising candidate materials for next‐generation nuclear reactors due to their superior mechanical strength, irradiation resistance, and thermal stability at high temperatures. However, the significant positive heat of mixing between refractory alloying elements and Cu, commonly used in cooling systems, poses challenges in forming composite structures. This study addresses the issue using a liquid metal dealloying (LMD) process. A precursor alloy (WTaVTi) with a directional dendrite‐interdendrite structure is fabricated and reacted with molten Cu at 1200 °C for 96 h. This approach produced a RHEA‐Cu composite with a stable interface between RHEA (W 31.5 Ta 30.9 V 21.4 Ti 14.3 ) and Cu, featuring a spontaneously formed W‐rich interlayer that enhances interfacial bonding. The composite showed excellent irradiation resistance, with 30% less swelling under α‐ion irradiation than pure W. It also exhibited low thermal conductivity at room temperature, but reached ≈120 W m −1 ·K −1 at ≈650 °C, surpassing pure W. This temperature‐dependent rise in κ, with a positive gradient of +0.075 W m −1 ·K − 2 , is attributed to decreasing diffuse mismatch at elevated temperatures. The large‐scale reaction and stable microstructure achieved through LMD process highlight its industrial potential. This work offers a strategy for developing high‐performance materials by combining RHEA's radiation resistance with Cu's thermal conductivity for extreme environments.

Chemistry↗
DOE OSTI2024

Stacking disorder and thermal transport properties of α-RuCl 3

α-RuCl 3 , a well-known candidate material for Kitaev quantum spin liquid, is prone to stacking disorder due to the weak van der Waals bonding between the honeycomb layers. After a decade of intensive experimental and theoretical studies, the detailed correlation between stacking degree of freedom, structure transition, magnetic, and thermal transport properties remains unresolved. In this work, we reveal the effects of a small amount of stacking disorder inherent even in high quality α-RuCl 3 crystals. This small amount of stacking disorder results in the variation of the magnetic ordering temperature, and it suppresses the structure transition and thermal conductivity. Crystals with a minimal amount of stacking disorder have a T N > 7.4 K and exhibit a well-defined structure transition around 140 K upon cooling. For those with more stacking faults and a T N below 7 K, the structure transition occurs well below 140 K upon cooling and is incomplete, manifested by the diffuse streaks and the coexistence of both high-temperature and low-temperature phases down to the lowest measurement temperature. Both types of crystals exhibit oscillatory field-dependent thermal conductivity and a plateaulike feature in thermal Hall resistivity in the field-induced quantum spin liquid state. However, α-RuCl 3 crystals with a minimal amount of stacking disorder have a higher thermal conductivity that pushes the thermal Hall conductivity to be closer to the half-integer quantized value. Importantly, these findings demonstrate a strong correlation between layer stacking, structure transition, magnetic, and thermal transport properties, underscoring the importance of interlayer coupling in α-RuCl3 despite the weak van der Waals bonding.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Predicting cell-to-cell failure propagation and limits of propagation in lithium-ion cell stacks

Thermal runaway of lithium-ion batteries is a risk that is magnified when stacks of lithium-ion cells are used for large scale energy storage. When limits of propagation can be identified so that systems can be designed to prevent large scale cascading failure even if a failure does occur, these systems will be safer. This work addresses the prediction of cell-to-cell failure propagation and the propagation limits in lithium-ion cell stacks to better understand and identify safe designs. A thermal-runaway model is presented based on recent developments in thermochemical source terms. It is noted that propagating failure is characterized by temperatures above which calorimetry data is available. Results show high temperature propagating failure predictions are too rapid unless an intra-particle diffusion limit is included, introducing a Damköhler number limiter into the rate expression. This new model form is evaluated against cell-to-cell failure propagation where the end cell of a stack is forced into thermal runaway through a nail-induced short circuit. Limits of propagation for this configuration are identified. Results show cell-to-cell propagation predictions are consistent with measurements over a range of cell states of charge and with the introduction of metal plates between cells to add system heat capacity representative of structural members. This consistency extends from scenarios where propagation occurs through scenarios where propagation is prevented.

25 ENERGY STORAGE↗
DOE OSTI2024

Simulations of flaming combustion and flaming-to-smoldering transition in wildland fire spread at flame scale

Our objective in the present study is to provide basic insights into the coupling between external-gas and solid biomass vegetation processes that control the dynamics of flame spread in wildland fire problems. Here we focus on a modeling approach that resolves processes occurring at vegetation and flame scales, i.e., the formation of flammable vapors due to the thermal degradation of the solid biomass, the subsequent combustion in ambient air, the thermal feedback to the biomass through radiative and convective heat transfer, and the possible transition from flaming combustion (taking place outside of the solid biomass) to smoldering combustion (taking place inside the solid biomass). The capability uses a multiphase combustion framework and treats external-gas processes through a Large Eddy Simulation solver and solid biomass processes through a discrete particle model. The discrete particle model adopts a one-dimensional porous medium formulation, includes descriptions of drying, thermal pyrolysis, oxidative pyrolysis, and char oxidation, as well as a description of the external-gas-to-solid-biomass diffusion of oxygen mass; the discrete particle model thereby provides a treatment of in-depth oxidative processes and allows the simulation of smoldering combustion. The modeling capability is applied to the simulation of fire spread across a surrogate biomass vegetation bed corresponding to a discrete array of cylindrical-shaped, vertically-oriented, pine wood sticks, characterized by a monomodal size distribution, in horizontal flat terrain and under wind-aided conditions. The numerical results demonstrate that the model can simulate successful flaming-to-smoldering transition followed by complete biomass consumption.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Pressure drop and heat transfer characteristics of nitrate salt and supercritical CO 2 in a diffusion-bonded heat exchanger

A lab-scale 316/L stainless steel diffusion-bonded heat exchanger was examined within a coupled high-temperature test facility consisting of an atmospheric-pressure nitrate salt loop and a supercritical carbon dioxide (sCO 2 ) loop operating between 10 and 16 MPa. Pressure loss measurements collected for flow rates up to 0.55 kg/s of Solar Salt and up to 0.6 kg/s of carbon dioxide were used to generate friction factor correlations for the respective circular and semicircular zig-zag flow passages. Heat transfer measurements were also performed over a wide range of conditions to produce Nusselt correlations for the CO 2 and nitrate salt geometries. The Nusselt number is deduced from a heat transfer resistance network and overall conductance measurements collected across the operating envelope of the coupled sCO 2 – nitrate salt test facility. The CO 2 side correlation showed excellent agreement with existing correlations in the literature. Further, the salt side, having nearly circular channels with a different zig-zag angle and hydraulic diameter, yielded a new correlation applicable to the laminar flow regime. To examine the similitude of the friction correlations, pressure drop testing with water was performed on both sides of the component as well. Finally, results from non-destructive examination are discussed to provide insights regarding inspection methods and draining performance of high-temperature liquids in compact heat exchangers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Insights into Preceramic Polymer-Based Additive Manufacturing Inks via Rheological and Scattering Studies of Preceramic Polymer-Grafted Nanoparticles Suspended in Polycarbosilane

Preceramic polymers (PCPs) offer advantages in producing ceramics due to their processability and ability to tailor the final chemistry of the produced material. However, challenges such as volumetric shrinkage and mass loss during pyrolysis often result in polymer-derived ceramics containing pores and cracks. PCP-grafted ceramic nanoparticles (PCPGNPs) have been proposed and studied as a route to mitigate the shrinkage issues associated with neat PCPs. Prior studies on PCPGNPs have principally focused on the synthesis and characterization of neat materials. Dispersing PCPGNPs in commercial preceramic polymer is another attractive, but underexplored, route to control the rheological and char yield properties of PCP systems. In this work, a systematic rheological study of commercial PCP (SMP-877) and PCPGNP (silica with poly(1,1-dimethylpropylsilane) corona) mixtures was executed to develop design rules for the processing of such systems. A rheological study demonstrated the effect of increasing particle concentration on network formation with percolation occurring between 50 and 60 wt %. Samples above the percolation threshold exhibited higher viscosities and rapid shear thinning thus demonstrating their direct-write printability. X-ray photon correlation spectroscopy (XPCS) corroborated the rheology and showed two diffusive modes when the material was above percolation. Mixtures of PCPGNPs and SMP-877 had synergistically higher char yields upon thermal treatment and pyrolysis. XPCS and rheological measurements during thermal treatment identified thermal jamming of the polymer grafts as a key factor in improving the char yield. In conclusion, with the insights gained here, we expect these mixed systems to provide attractive feedstocks for polymer-derived ceramics, with proof-of-principal application as feedstocks for direct ink write (DIW) additive manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Variable Eddington Factor Model for Thermal Radiative Transfer with Closure Based on Data-Driven Shape Function

Here, a new variable Eddington factor (VEF) model is presented for nonlinear problems of thermal radiative transfer (TRT). The VEF model is data-driven and acts on known (a-priori) radiation-diffusion solutions for material temperatures in the TRT problem. A linear auxiliary problem is constructed for the radiative transfer equation (RTE) whose emission source and opacities are evaluated at these known material temperatures. The solution to this RTE approximates the specific intensity distribution in phase-space and time. It is applied as a shape function to define the Eddington tensor for the presented VEF model. The shape function computed via the auxiliary RTE problem will capture some degree of transport effects within the TRT problem. The VEF moment equations closed with this approximate Eddington tensor will thus carry with them these captured transport effects. In this study, the temperature data comes from multigroup P 1 , P 1/3 , and flux-limited diffusion radiative transfer models. The proposed VEF model can be interpreted as a transport-corrected diffusion reduced-order model. Numerical results are presented on the Fleck-Cummings test problem which models a supersonic wavefront of radiation. The VEF model is shown to improve accuracy by 1–2 orders of magnitude compared to the considered radiation-diffusion model solutions to the TRT problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Modelling of sawtooth-induced fast ion transport in positive and negative triangularity in TCV

Internal kinks are a common magneto hydro-dynamic (MHD) instability observed in tokamak operation when the q profile in the plasma core is close to unity. This MHD instability impacts both the transport of the bulk plasma (current, particle and energy transport) and minority species, such as fast ions. In TCV (R 0 /a = 0.88 m/0.25 m) the fast ion population is generated in the plasma by neutral beam tangential injection of energies up to 28 keV. TCV features 16 active shaping coils permitting a great flexibility in plasma shape, including negative triangularity (δ) configurations that show surprisingly high confinement. This study focuses on the transport of fast ions induced by sawteeth, by comparing two triangularity cases and simulation results with experimental data. Comparison of two equilibria with opposite δ shows that the fast ion drifts are larger for δ < 0. Furthermore, the sawtooth-induced transport in this case is larger than δ > 0 in similar conditions. Additionally, comparison with experimental data confirms the dominance of the modification of thermal kinetic profiles following the sawtooth crash in explaining drops in the neutron rates and FIDA signals. Additional fast ion diffusion, however, improves the interpretation of the experimental data. For δ < 0, the amplitude of the perturbation better representing the experimental data is larger. Finaly, an exploratory study for 50 keV particles (soon available in TCV) shows that the situation does not worsen for such particles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Achieving clean production with nanostructured coated milling tools dry machining low carbon steel

The advancement of clean production using nanostructured materials in subtractive manufacturing processes has focused on replacing the use of liquid lubrication with solid lubricants coated to conventional cutting tools machining low carbon steel (~ 0.2 wt. % carbon). However, little is known about the wear mechanisms that dominate such tools when coated with functional graded nanostructured coatings. The present study follows an international standard for characterizing such wear (ISO 8688) but uses advanced measurement techniques such as x-ray fluorescence technology to measure the diffusion of chemical species from tool to workpiece and vice versa, that contributes to tool wear with the view to enhance the principles of cleaner production. The results show that when commercially-available tools coated with the appropriate functionally graded industrial coating, diffusion does not take place and creates an effective chemical barrier during machining. The experimental methods used in the study include machining workpieces using a CNC milling machine, tachometer for measuring spindle speed, dynamometer for measuring cutting forces, infra-red camera for measuring cutting temperatures, chemical species diffusion wear using x-ray florescence detector, and an optical microscope for measuring tool wear. Coupled with the physical measurement of wear, it is concluded that mechanical wear dominates the milling of a low carbon steel and that thermal properties of the coatings do not correlate with such wear. It is also concluded that flank wear as a function of volume of workpiece removed and machining duration (machining index) is a sound method for assessing the transition of the stages of wear during clean machining operations. The present study not only has implication for the design of better cutting tools, but also advances dry machining processes that eliminate the use of liquid lubricants making subtractive production processes cleaner. The main conclusions drawn from this study show that coated tools have a longer life under dry conditions compared to uncoated tools and that there is no correlation between coating properties and tool wear. In conclusion, diffusion of chemical species into the cut chips did not occur because of the lack of thermally induced chemical wear of the cutting tool and that wear is caused by the gradual erosion of the flank face due to the chip abrading the cutting tool.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Development of Corrosion Resistant Coatings for Structural Materials for Liquid Fueled Molten Salts Reactors Applications (Final Report)

Current structural alloys, code certified for the MSRs temperature ranges, contain high levels of chromium, making them highly susceptible to molten halide salt corrosion. One potential solution to circumvent the need for code certification of novel alloys, which is expensive and time consuming, is to design claddings that will protect the underlying code certified materials from corrosion damage during operation. In this work, we examined the corrosion of Ni and Cu electroplated, Ni and CuNi weld overlay, Mo-laser clad, and carburized claddings on SS316H for use in molten salt reactor environments. After characterization of the cladded materials (Task 1), static corrosion tests were used to assess corrosion resistance of the claddings in typical molten fluoride salts (Task 2). The corrosion tests were performed in molten FLiNaK at 700°C up to 1000 hours. Pre- and post-corrosion Scanning Electron Microscopy (SEM), energy-dispersive-spectroscopy (EDS), Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD) and glow-discharge-optical-emission-spectroscopy (GDOES) were performed on cladding cross-sections and surfaces to evaluate degradation. The Cu and Ni electroplated samples, as well as the carburized samples, showed excellent corrosion resistance relative to the bare SS316H. To assess high temperature cladding stability, ageing experiments were performed at temperatures up to 900 C in inert atmosphere for the electroplated and carburized samples and a diffusion model was developed to predict long term cladding behavior (Task 3). It was found that the Cu cladding was basically insensitive to the high temperature ageing, except for small secondary phases forming at the interface. On the other hand, the Ni electroplated cladding experienced significant interdiffusion. Nevertheless, the gain in corrosion resistance for a 100μm Ni electroplated cladding is phenomenal, with more than 50% reduction in chromium dissolution from the substrate material for the first 15 years of salt exposure at 700°C. To assess radiation resistance and phase stability, high-temperature 4MeV Ni heavy ion irradiation was performed across the cladding/substrate interface up to 50 displacement-per-atom (DPA) at 500°C and 700°C to assess the phase stability and irradiation behaviors of the electroplated systems (Task 4). The Ni and Cu electroplated systems did not experience void swelling at the contrary to the SS316H substrate due to their nanocrystalline nature. Some level of recrystallization was observed in the cladding, as well as radiation induced segregation and enhanced diffusion. The interface acted as a potent sink for point defects with the presence of a void denuded zone. The mechanical properties of the claddings were assessed using thermal shock, micro-indentation, nano-indentation, and four-point bend testing experiments (Task 5). These experiments were performed on the claddings in as-received, corroded, irradiated, and thermally aged states to determine the effects of typical molten salt reactor environments on cladding integrity. No significant mass loss was observed after repeated thermal shocks. While the electroplated samples softened after high-temperature ageing, irradiation hardening compensate this effect, such that there is little different with the as-received materials. The results of these experiments suggest that the electroplated (copper/nickel) show the greatest promise for application in molten salt reactor development. These claddings prevented any chromium dissolution from occurring during the static corrosion experiments. Additionally, they demonstrated favorable properties for high temperature diffusion, phase stability, interfacial mechanical properties, and irradiation resistance. Weld-overlay cladding are also of great interest and could reach properties similar to the electroplated samples upon optimization (especially with multiple weld passes). The carburized SS316H showed excellent behavior as well, but more work needs to be done to assess their long-term stability. Finally, the Mo-laser clad system was not pursued further due to the manufacturing challenges. It is also worth noting that the Ni cladding systems should behave relatively well in terms of weldability since the Ni-weld overlay microstructure and associated corrosion rate are sound. While the NiCu weld-overlay has even lower corrosion rates than the Ni-weld overlay, more studies on welding of Cu-electroplated systems are necessary since Cu clusters are known to embrittle steels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spectroscopic analysis of Pu-bearing compounds in double-walled cells

Spectroscopic analysis of radiological materials has been historically limited to radiological labs with older or less advanced scientific instrumentation. The development of double-walled cells (DWCs) at the Savannah River National Laboratory (SRNL) has enabled Pu-bearing compounds to be removed from radiological laboratories and studied in our radiologically clean spectroscopy laboratory with state-of-the-art instrumentation. In this manuscript, we discuss the contributions of DWCs that have allowed the application of Raman spectroscopy, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), diffuse reflectance spectroscopy (DRS) in the shortwave infrared, and gamma spectroscopy at SRNL. Significant advances have been made in the understanding of the thermal decomposition of Pu(III) and Pu(IV) oxalates, alpha-induced damage to the PuO 2 crystal lattice, and the effect of calcination temperatures on the quality of PuO 2 . These techniques have enabled methods to conduct PuO 2 age dating since last calcination and estimate the calcination temperature with Raman spectroscopy and DRS. Additional spectroscopic information measured with DRIFTS has enabled the observation of the evolution of carbon species with calcination temperature, while gamma spectroscopy provides information on age dating since last purification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

In-Situ Spatial Mapping of Hydrogen in Yttrium Hydrides at LANSCE (FY23 Version, Rev. 1)

This report summarizes the development of neutron imaging capabilities and experimental activities performed at the Los Alamos Neutron Science Center (LANSCE) with the main goal of measuring temperature-driven hydrogen diffusion within bulk-yttrium hydride (YH x ) materials. Yttrium hydride is the leading candidate to serve as a solid neutron moderator in microreactor cores, owing to its high density of hydrogen atoms as well as its superior thermal stability compared to all other metal hydrides. The experimental results and technique developments reported herein support the U.S. Department of Energy Office of Nuclear Energy’s (DOE-NE) Microreactor Program under Technology Maturation. In particular, it addresses the critical need to experimentally validate and verify hydrogen-diffusion models of metal hydrides used in high-temperature microreactor designs by means of high-spatial-resolution neutron imaging. These capabilities were designed to apply large temperature gradients across centimeter-sized YH x pellets to simulate conditions faced in the microreactor environment. In principle, neutron imaging, combined with in-situ sample heating, enables near real-time tracking of hydrogen diffusion in YH x on the sub-millimeter scale. In this report, an overview of neutron imaging methodology and technologies are given in the context of recent spatial measures of hydrogen concentrations in similar metal hydrides. Additionally, the commissioning and operation of a custom-built compact dual-zone furnace is given along with details on three in-situ heating measurements of YH x performed over the 2020 to 2022 LANSCE operation cycles. The aims of these experiments ranged from furnace commissioning, determining sample quality, i.e., hydrogen uniformity via neutron computed tomography, and studying the effects of applied temperature-gradients on YH x pellets. Analyses and results from these neutron imaging measurements are given along with outlooks and guidelines for optimal future hydrogen diffusion measurements. Our conclusions are as follows. Image analyses indicate that centimeter-sized yttrium hydride cylindrical pellets exhibit uniform, whole-body hydrogen desorption and absorption without clear temperature dependence as reflected in the image attenuation at the opposing ends of each sample. This suggests that despite the large magnitude in temperature gradients applied by the furnace heating elements, the sample equilibrates to an unknown intermediate temperature. The origin of this result is likely the combination of short sample length (∼1cm) and use of a TZM can for containment where the latter created a thermal short across the sample. Nevertheless, the results from the most recent measurements indicate that neither significant concentration gradients of hydrogen were formed in centimeter-sized samples through the entire temperature range (25 °C to 950 °C) nor any formed due to temperature gradients on the order of 50 °C/cm up to 700 °C/cm. Furthermore, images from the FY2021 and FY2022 measurements indicate that samples of YH x , fabricated from either the direct hydride or powder metallurgy methods, are highly uniform in their hydrogen concentration to within the measurements’ spatial resolutions. The following questions arise from these latest results: 1) What is the intermediate temperature of the pellets in the TZM cans? 2) How quickly does the temperature equilibrate within the sample? and, 3) Do the observed changes in image attenuation follow known pressure-composition-temperature relations of yttrium hydride?

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

NuSTAR Observations of Abell 2163: Constraints on Non-thermal Emission

Since the first non-thermal reports of inverse Compton (IC) emission from the intracluster medium (ICM) of galaxy clusters at hard X-ray energies, we have yet to unambiguously confirm IC emission in observations with newer facilities. RXTE detected IC emission in one of the hottest known clusters, Abell 2163 (A2163), a massive merging cluster with a giant radio halo—the presumed source of relativistic electrons IC scattering CMB photons to X-ray energies. The cluster's redshift (z ~ 0.2) allows its thermal and non-thermal radio emission to fit the field of view of the Nuclear Spectroscopic Telescope Array (NuSTAR), permitting a deep observation capable of confirming or ruling out the RXTE report. The IC flux provides constraints on the average magnetic field strength in a cluster. To determine the global diffuse IC emission in A2163, we fit its global NuSTAR spectrum with four models: single- (1T) and two-temperature (2T), 1T+power-law component (T+IC), and multi-temperature+power law (9T+IC). Each represents different characterizations of the thermal ICM emission, with power-law components added to represent IC emission. We find that the 3–30 keV spectrum can be described by purely thermal emission, with a global average temperature of kT = (11.8 ± 0.2) keV. The IC flux is constrained to <4.0 × 10 –12 erg s –1 cm –2 using the 1T+IC model and <1.6 × 10 –12 erg s –1 cm –2 with the more physical 9T+IC model, both to 90% confidence levels. Here, combining these limits with 1.4 GHz diffuse radio data from the VLA, we find the average magnetic field strength to be >0.22 μG and >0.35 μG, respectively, providing the strongest constraints on these values in A2163 to date.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Inferring the Thermal History of the Intergalactic Medium from the Properties of the Hydrogen and Helium Lyα Forest

The filamentary network of intergalactic medium (IGM) gas that gives origin to the Lyα forest in the spectra of distant quasars encodes information on the physics of structure formation and the early thermodynamics of diffuse baryonic material. Here we use a massive suite of more than 400 high-resolution cosmological hydrodynamical simulations run with the Graphics Processing Unit–accelerated code Cholla to study the IGM at high spatial resolution maintained over the entire computational volume. The simulations capture a wide range of possible IGM thermal histories by varying the photoheating and photoionizing background produced by star-forming galaxies and active galactic nuclei. A statistical comparison of synthetic spectra with the observed 1D flux power spectra of hydrogen at redshifts 2.2 ≤ z ≤ 5.0 and with the helium Lyα opacity at redshifts 2.4 < z < 2.9 tightly constrains the photoionization and photoheating history of the IGM. By leveraging the constraining power of the available Lyα forest data to break model degeneracies, we find that the IGM experienced two main reheating events over 1.2 Gyr of cosmic time. For our best-fit model, hydrogen reionization completes by z R ≈ 6.0 with a first IGM temperature peak of T 0 ≃ 1.3 × 10 4 K and is followed by the reionization of He ii that completes by z R ≈ 3.0 and yields a second temperature peak of T 0 ≃ 1.4 × 10 4 K. We discuss how our results can be used to obtain information on the timing and the sources of hydrogen and helium reionization.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Development, validation, and verification of multi-pass thermo-mechanical welding simulations using the open-source MOOSE framework: NeT TG4 benchmark weldment

This study develops and validates a sequentially coupled thermo-mechanical welding simulation for the three-pass 316L stainless steel NeT TG4 benchmark weldment using the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) and the Nuclear Engineering Material model Library (NEML). A diffused ellipsoidal heat source was calibrated against thermocouple data and weld macrographs to accurately model the fusion zone geometry and transient thermal fields. Material hardening is represented using the Lemaitre-Chaboche mixed isotropic-kinematic hardening model, while four annealing models - no annealing, single-stage at 1050 °C and 1300 °C, and two-stage at 800 °C/1300 °C - were implemented to assess the impact of annealing models on the accuracy of the predicted welding-induced plasticity, distortions, and residual stresses. The predictions were validated against experimental measurements and benchmarked against results from commercial software, demonstrating that thermo-mechanical MOOSE welding simulations achieve comparable accuracy with enhanced computational efficiency. This work highlights the potential of using open-source finite element frameworks like MOOSE for advanced manufacturing simulations.

Ji, Wendy [Australian Nuclear Science and Technolo↗
DOE OSTI2025

Thermally Stable Ruthenium Contact for Robust p‑Type Tellurium Transistors

Tellurium (Te) is attractive for p-channel transistors due to its high hole mobility. Despite having a low thermal budget suitable for back-end-of-line (BEOL) monolithic integration, the practical realization of Te transistors is hindered by its thermal stability. In this work, we investigate thermal stability for Te thin films grown via scalable thermal evaporation. Our findings identify ruthenium as a more thermally stable contact for p-type Te transistors, capable of withstanding temperatures up to 250 °C. Ruthenium exhibits significantly lower diffusivity in Te compared to other contact metals commonly used such as nickel and palladium. Using the transfer-length method, we measured a contact resistance of 1.25 kΩ·μm at the ruthenium-tellurium interface. Additionally, the incorporation of high-κ ZrO2 encapsulation not only suppresses the sublimation of the Te channel at elevated temperatures but also serves as the gate dielectric in top-gate devices operating at 1 V, achieving an on/off current ratio of 105.

Rahman, I K M Reaz↗
DOE OSTI2020

Forecasting the Decay of Hybrid Perovskite Performance Using Optical Transmittance or Reflected Dark-Field Imaging

The practicality and economic viability of hybrid perovskite solar cells hinge on their operational lifetime, and methods for forecasting the performance of perovskites under different operational stresses are urgently needed. Here, we explore the evolution of material-level optoelectronic properties as MAPbI 3 degrades and discover universal behaviors where the carrier diffusion length (L D ) decays before quasi-Fermi-level splitting (ΔE F ), regardless of the specific stress protocol (oxygen, humidity, thermal stress, or a combination). We employ a machine learning greedy feature selection model that uses initially measured properties to predict the time it takes L D to decrease to 85% of its initial value with a prediction accuracy of 12.8%. This model reveals a strong correlation between the initial rate of transmittance change and the time until loss of transport. We translate this material-level finding to photovoltaic device-level forecasting by demonstrating that the rate of change of transmittance is equivalent to the rate of change of the spatial standard deviation of dark-field image intensity (i.e., scattered light intensity) collected in reflection mode (and thus applicable to devices with opaque contacts). Furthermore, this work demonstrates that transmittance and scattering methods are highly effective for accelerated material (and device) stability evaluation and forecasting.

14 SOLAR ENERGY↗