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DOE OSTI2024

Theoretical design and performance of three-dimensional, pillared FeS 2 cathodes

Three-dimensional (3D) electrode design can provide improved capacities and rate capabilities over conventional two-dimensional electrodes by enhancing electrical and ionic transport. Here, expanding upon our previous modeling efforts for conversion chemistry lithium-ion batteries, we develop a pseudo-four-dimensional (P4D) approach that is subsequently used to investigate the design of a pillared FeS 2 electrode. The model considers transport in three dimensions with an additional “fourth” dimension corresponding to the solid-state lithium transport within the active material particles. Additionally, we allow for expansion of the active material during the conversion reaction to understand how internal stresses impact the electrochemical performance of the cell. By optimizing the model with respect to areal capacity, we are able to predict areal capacities up to 16.8 mAh/cm 2 for an areal current density of 1.78 mA/cm 2 and a 103% improvement for the three-dimensional electrodes over planar electrodes of equal volume. Despite the promising results, our simulations suggest that 3D design may be difficult for conversion cathode materials due to the large internal stresses that arise during conversion. Nevertheless, the model is robust and adaptable to other materials that may be more suitable for 3D electrodes due to a lesser change in volume during discharge.

Conversion cathode materials↗

DOE OSTI2026

Time-Resolved Neutron Imaging for Hydrogen Uptake in Subsurface Lithologies

Geologic hydrogen production and underground storage are increasingly important for meeting rising energy demands while providing clean-combustion advantages. However, hydrogen’s high diffusivity and propensity for leakage through porous media necessitate direct evaluation of its transport behavior in subsurface materials. Whereas X-ray microcomputed tomography (μCT) studies often employ contrast agents or surrogate gases, this study leverages neutron transmission radiography/CT to observe hydrogen migration in situ. This work represents the first demonstration of real-time neutron radiography of hydrogen migration in reservoir and caprock lithologies. Cylindrical cores of Indiana limestone, Amherst Gray sandstone, and Tumey shale were subjected to constant-pressure hydrogen charging and scanned in real time using high-resolution neutron radiography. Results indicate immediate hydrogen infiltration in sandstone and limestone, with homogeneous distribution detected throughout their pore structure. In contrast, hydrogen remained largely absent from fine-grained shale under the same pressure, except in an apparently localized fracture zone, where neutron signatures confirmed the presence of hydrogen. Subsequent neutron CT of the sandstone sample, using image subtraction against an uncharged reference, corroborated hydrogen distribution patterns. Even under lowpressure, single-phase conditions, distinct neutron imaging signatures of hydrogen were achieved. These preliminary findings underscore the potential of neutron imaging for advancing subsurface hydrogen migration research.

08 HYDROGEN↗

NASA NTRS1966

Non-Metallic Materials

Nonmetallic materials development - cryogenic insulation, adhesives research, and membrane diffusion theory

Materials Science↗

NASA NTRSDate not supplied

Fluid-Thermal-Structural Interactions Induced by an Asymmetric Shock-Wave/Boundary-Layer Interaction in a Mach-6 Compression Corner

An experimental study is conducted of the fluid-thermal-structural interaction of a clamped compliant panel exposed to a three dimensional shock-wave/boundary-layer interaction (SWBLI) induced by a Mach-6 compression ramp with a spanwise nonuniform incoming boundary layer. The nonuniform boundary layer was produced by placing trips on one side of the upstream flat plate, resulting in largely turbulent flow on the tripped side and transitional flow on the untripped side. Measurements of the flowfield confirmed that the tripped boundary layer contained elevated levels of unsteadiness, and the SWBLI was observed to vary from attached to fully separated as the ramp angle was increased from 10◦ to 38◦; the separation region on the tripped side of the panel was noticeably smaller, showing the elevated turbulence levels of the tripped-side flow to remain relatively localized rather than diffusing across the whole model. Full-field, time-resolved panel deformations were measured using high-speed photogrammetry and the vibrational response at each compression angle was characterized. Although the measured modes conformed largely to those from classical clamped-plate theory, some skewing of the mode shapes was observed. IR thermography highlighted regions of the compliant region where elevated temperatures were likely to promote thermal softening effects to the transient panel response. The quasi-static deformation and stress field was used to characterize the internal stress factor of each mode and showed a meaningful relationship between transient panel response and stress contained within each mode: modes with antinodes lying in high-stress areas of the plate tended to exhibit increases in vibrational frequency and decreases in vibrational power, whereas the opposite was true for modes with antinodes in low-stress areas.

Spectral Proper Orthogonal Decomposition↗

NASA NTRS1958

Design and Performance of an Experimental Annular Turbojet Combustor With High-Velocity-Air Admission Through One Wall

An experimental, annular, turbojet combustor was designed to eliminate the conventional combustor-inlet diffuser. Instead, high-velocity air was supplied directly to the combustor. This stream was split into two parts: (1) the primary in which combustion was sustained, and (2) the secondary in which the stream momentum was used to facilitate mixing with the hot primary gases. The air was admitted through only one wall of the combustor liner except for approximately 5 percent that was used to cool the inner combustor surfaces. By integrating the inlet and outlet diffuser design with the combustion chamber, an overall reduction in length of 30 percent was obtained over conventional configurations. A rectangular segment of this combustor was tested with vaporized propane fuel.

Annular Flow↗

DOE OSTI2024

Highly Ordered Eutectic Mesostructures via Template‐Directed Solidification within Thermally Engineered Templates

Template-directed self-assembly of solidifying eutectics results in emergence of unique microstructures due to diffusion constraints and thermal gradients imposed by the template. Here, the importance of selecting the template material based on its conductivity to control heat transfer between the template and the solidifying eutectic, and thus the thermal gradients near the solidification front, is demonstrated. Simulations elucidate the relationship between the thermal properties of the eutectic and template and the resultant microstructure. The overarching finding is that templates with low thermal conductivities are generally advantageous for forming highly organized microstructures. When electrochemically porosified silicon pillars (thermal conductivity < 0.3 Wm −1 K −1 ) are used as the template into which an AgCl-KCl eutectic is solidified, 99% of the unit cells in the solidified structure exhibit the same pattern. In contrast, when higher thermal conductivity crystalline silicon pillars (≈100 Wm −1 K −1 ) are utilized, the expected pattern is only present in 50% of the unit cells. The thermally engineered template results in mesostructures with tunable optical properties and reflectances nearly identical to the simulated reflectances of perfect structures, indicating highly ordered patterns are formed over large areas. This work highlights the importance of controlling heat flows in template-directed self-assembly of eutectics.

36 MATERIALS SCIENCE↗

NASA NTRS1976

Reanalysis of the Apollo Cosmic Gamma-Ray Spectrum in the 0.3- to 10-MeV Energy Region

Additional data obtained from the Apollo-16 and -17 missions, together with collateral calculations on background radiation effects, have enabled an improved subtraction of unwanted backgrounds from the diffuse cosmic gamma-ray data previously reported from Apollo-15. As a result, the 1- to 10-MeV spectrum is lowered significantly and connects smoothly with recent data at other energies. The inflections reported previously is much less pronounced and has no more than a 1.5-σ significance. Sky occultation by the Apollo-16 spacecraft shows the bulk of the 0.3-- to 1-MeV radiation to be diffuse. The analysis of spurious backgrounds points to important improvements for future experiments designed for this spectral region.

Gamma Rays↗

NASA NTRS1977

Reanalysis of the Apollo Cosmic Gamma-Ray Spectrum in the 0.3 to 10 MeV Energy Region

Additional data obtained from the Apollo 16 and Apollo 17 missions, together with collateral calculations on background radiation effects, have made an improved subtraction of unwanted backgrounds from the diffuse cosmic y-ray data previously reported from Apollo 15 possible. As a result, the 1 to 10 MeV spectrum is lowered significantly and connects smoothly with recent data at other energies. The inflection reported previously is much less pronounced and has no more than a 1.5 σ significance. Sky occultation by the Apollo 16 spacecraft shows the bulk of the 0.3 to 1 MeV radiation to be diffuse. The analysis of spurious backgrounds points to important improvements for future experiments designed for this spectral region.

Gamma Rays↗

NASA NTRS1966

Research Achievements Review, Volume II

Materials research - diffusion bonding methods, stress corrosion tests, nondestructive testing, material designs for electronic equipment, and nonmetallic material development.

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↗

NASA NTRS1977

Reanalysis of the Apollo Cosmic Gamma-Ray Spectrum in the 0.3 to 10 Mev Energy Region

Additional data obtained from the Apollo 16 and 17 missions, together with collateral calculations on background radiation effects, have made possible an improved subtraction of unwanted backgrounds from the diffuse cosmic gamma ray data previously reported from Apollo 15. As a result, the 1 to 10 MeV spectrum is lowered significantly and connects smoothly with recent data at other energies. The inflection reported previously is much less pronounced and has no more than 1.5 sigma significance. Sky occultation by the Apollo 16 spacecraft shows the bulk of the 0.3 to 1 MeV radiation to be diffuse. The analysis of spurious backgrounds points to important improvements for future experiments designed for this spectral region. A light-weight satellite design can give a fourfold improvement in the signal to noise for such a measurement. Use of an anisotropic central crystal, which spins quickly compared with possible time variations in detector background, would enable sensitive limits to be set on galactic plane and point source contributions.

C S Dyer↗

DOE OSTI2026

Mitigating electrochemical degradation in CsPbBr{sub 3} gamma detectors by organic and inorganic encapsulation.

CsPbBr3 perovskite semiconductors have emerged as a leading candidate for nextgeneration radiation detectors because of their exceptional charge transport properties, defect tolerance, and record-breaking sensitivity and energy resolution. Their long-term stability, however, is hindered by electrode-driven electrochemical decomposition, which is accelerated by moisture- and oxygen-assisted ion migration during operation. Here, we investigated organic and inorganic encapsulation strategies as both environmental barriers and means to suppress interfacial degradation pathways. Atomic layer deposition (ALD) of Al2O3 provided a conformal passivation layer that blocked environmental ingress, suppressed ionic diffusion, reduced leakage current, enhanced energy resolution and expanded the operational electric-field window beyond 5 kV∙cm1 . By contrast, organic encapsulants such as paraffin wax and polystyrene slowed moisture diffusion but did not suppress interfacial reactions, with wax extending stability to over 90 days. These results show that ALD-Al2O3 suppresses dominant interfacial degradation pathways, enabling stable, high-field operation and advancing the practical deployment of CsPbBr3 γ-ray detectors.

Unal, Mustafa↗

NASA NTRS1995

Extensional Flow Convecting a Reactant Undergoing a First Order Homogeneous Reaction and Diffusional Mass Transfer From a Sphere at Low to Intermediate Peclet and Damkohler Numbers

Forced convective diffusion-reaction is considered for viscous axisymmetric extensional convecting velocity in the neighborhood of a sphere. For Peclet numbers in the range 0.1 ≤ Pe ≤ 500 and for Damkohler numbers increasing with increasing Pe but in the overall range 0.02 ≤ Da ≤ 10, average and local Sherwood numbers have been computed. By introducing the eigenfunction expansion c(r,Θ) = Σ c n (r)P n (cosΘ) into the forced convective diffusion equation for the concentration of a chemical species undergoing a first order homogeneous reaction and by using properties of the Legendre functions P n (cosΘ), the variable coefficient PDE can be reduced to a system of N+1 second order ODEs for the radial functions C n (r), n=0,1,2, ... ,N. The adaptive grid algorithm of Pereyra and Lentini can be used to solve the corresponding 2(N+ 1) first order differential equations as a two-point boundary value problem on 1 ≤ r ≤ r •• . Convergence of the expansion for a specific value of N can thus be established and provides "spectral" behavior as well as the full concentration field c(r,Θ).

N Y Shah↗

NASA NTRS1994

An Improved Theoretical Ni-Cd Battery Performance Model

Previous reports have shown how a battery model was developed using porous electrode theory. Since then the model has been upgraded and expanded. These upgrades include oxygen reation and positive electrode intercalation and proton diffusion. The effects of additional details of the solid state physics of the nickel electrode will be reported here.

battery↗

DOE OSTI2026

Effects of high-dose neutron irradiation at light-water reactor relevant temperature on the mechanical properties of SiC/SiC composites

For this study, the neutron dose-dependent evolutions and the underlying mechanisms of properties of SiC fiber-reinforced SiC matrix (SiC/SiC) composites at a temperature relevant to light-water reactors (∼600 K) were investigated and analyzed. Chemical vapor infiltrated (CVI) SiC/SiC composites reinforced with Hi-Nicalon Type S or Tyranno SA3 fiber were neutron-irradiated to doses up to 30 dpa. The irradiated composites retained their flexural strengths. The thermal diffusivity and dimensional changes were mostly retained from 2.0 to 30.2 dpa. Discrepancies in irradiation responses among CVI SiC/SiC composites from different sources were found. Additional microstructural analysis using Raman spectroscopy and numerical analysis on irradiation effect on residual stress were used to explain how the microstructural variables, especially of carbon interphases, affect the mechanical properties in the 30–40 dpa dose range.

Continuous fiber-reinforced ceramic matrix composi↗

NASA NTRS1994

The Study of Dopant Segregation Behavior During the Growth of GaAs in Microgravity

An investigation into the segregation behavior of selenium doped gallium arsenide during directional solidification in the microgravity environment was conducted using the Crystal Growth Furnace (CGF) aboard the first United States Microgravity Laboratory (USML-1). The two crystals grown were 1.5 cm in diameter and 16.5 cm in length with an initial melt length of 14 cm. Two translation periods were executed, the first at 2.5 microns/s and after a specified time, which was different between the two experiments, the translation rate was doubled to 5.0 microns/s. The translation was then stopped and the remaining sample melt was solidified using a gradient freeze technique in the first sample and a rapid solidification in the second experiment. Measurement of the selenium dopant distribution, using quantitative infrared transmission imaging, indicates that the first sample initially achieved diffusion controlled growth as desired. However, after about 1 cm of growth, the segregation behavior was driven from a diffusion controlled growth regime to a complete mixing regime. Measurements in the second flight sample indicated that the growth was always in a complete mixing regime. In both experiments, voids in the center line of the crystal, indicative of bubble entrapment, were found to correlate with the position in the crystal when the translation rates were doubled.

D H Matthiesen↗

NASA NTRS2026

AC and DC Fault Management for Megawatt Electrified Aircraft Electrical Powertrains Task 3: Lifetime and Reliability of Electrical Insulators

This research project was a collaborative investigation between researchers at the RTX Technology Research Center (RTRC) and the University of Texas at Austin and made a significant contribution to enabling electric aircraft. The transport of electric power between the points of generation and use requires power cables. These cables must be smaller, lighter and provide a more predictable life than power cables used in stationary applications. Consequently, this investigation provided heretofore unavailable information supporting the safety and reliability of smaller lighter power cables for electrified aircraft. In addition, the research identified key additional engineering data needed to support quantitative reliability assessments. Important advances included: • Demonstrated that at least one manufacturer can make a novel, smaller, lighter power cable that is free from serious defects. • Developed and published an appropriate analytical construct to describe the life of this novel cable. This is a necessary step for use in aviation where the understanding of remaining life is critical. • Demonstrated thermal-mechanical aging that suggested 1000+ flights before the thermal-mechanical processes produced defects large enough that the defect growth was accelerated electrically. • Showed that electrical aging took place at two rates. The first possibly lasting weeks to months and the second possibly days to weeks. If robust, this provides a good diagnostic for cable replacement. • Demonstrated that the traditional electrical testing of cable materials using manufactured voids can be misleading due to the size of the voids. Emerging laser drilling technology permitted demonstration that the physics of failure in realistically small voids is different from that in the unrealistically large voids used in earlier research, which is very important for high-quality, high-performance, small aircraft cables. Although this project represents a significant contribution to the specifics of cable aging in the aircraft environment, important additional research remains to be completed, including: • Non-uniform thermal cycling by applying the heat from the center conductor to maximize thermal stress next to the core area where the electric gradient is the strongest. This builds on the uniform thermal cycling that has been completed. • The augmentation of the thermal-mechanical failure rate by electrical processes. Better understanding of these time constants strongly affects the ability to predict life. • Termination design: Terminations provide not only electrical reflection potential, but a location for a series arc fault and an area where ozone can diffuse into the center conductor and negatively affect cable insulation. • The abrasion and ozone resistance of the cable jacket. • Pressure cycling as an accelerant of thermal, mechanical, and/or electrical aging. • Possible methods for online PD detection and offline PD localization

model↗

DOE OSTI2026

Dissecting Disorder: Defect-Driven Structural Complexity in Layered Li3InCl6 Solid Electrolyte

Halide solid electrolytes have emerged as promising candidates for solid-state batteries owing to their high oxidative stability and ionic conductivity. Among them, Li3InCl6 (LIC) has attracted significant attention. However, diffraction patterns of LIC synthesized via different methods exhibit distinct differences particularly at low-angle reflectionsindicative of underlying structural disorder. These variations are attributed to deviations from ideal crystallographic order, especially stacking faults, whose impact on structure and ion transport remains poorly understood. Here, we identify and quantify stacking faults in LIC samples prepared under different synthetic conditions. Using X-ray diffraction and time-of-flight neutron diffraction, we construct and refine stacking fault models that accurately reproduce the experimental diffraction features. LIC samples with higher degrees of stacking faults exhibit only negligible differences in ionic conductivities and activation energies. This indicates that stacking faults have a limited impact on altering the Li+ diffusion pathway along the c-axis, likely due to the high concentration of vacancies in the In layers, while Li+ diffusion remains nearly unchanged in the ab-plane. Our results account for the observed differences in diffraction patterns across samples and provide a quantitative assessment of faulting probabilities and stacking sequences. The insights gained from this study are expected to be broadly applicable to other layered halide solid electrolytes and contribute to a deeper understanding of the role of structural disorder in ion transport.

Liu, Jue [ORNL] (ORCID:000000024453910X)↗