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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Effects of interstitial oxygen on ω transformations and twin formation in bcc NbTaTiHf multi-principal element alloy from first-principles

Transformation- and twinning-induced plasticity (TRIP and TWIP) have been reported to contribute to the low-temperature deformation of some body-centered cubic (bcc) multi-principal element alloys (MPEAs) containing large fractions of group IV transition metals. The influence of interstitial solutes on the mechanisms underlying these forms of plasticity, however, remains unclear. Using first-principles calculations, we study the effects of interstitial O atoms on the relative stability of bcc and ω phases and on unstable and twin boundary stacking fault energy profiles in a representative bcc MPEA with high group-IV elemental fraction: NbTaTiHf. We find that O additions generally promote the relaxation of ω configurations back to their parent bcc structure, therefore inhibiting ω transformation. Calculations of the Rice parameter for bulk bcc and phases, as well as bcc-ω interfaces, further show that ω formation is a potent embrittlement factor, an effect that is enhanced by O additions, suggesting that the formation of bcc-ω interfaces is energetically preferred over the formation of the bulk ω phase. By contrast, the Rice parameter for twin boundaries indicates that these interfaces do not embrittle the material, even with O atoms at twin boundaries, providing a more favorable pathway for plastic deformation compared to ω transformation.

Density functional theory↗
DOE OSTI2026

Deciphering the Conflict Between Ion and Electron Percolating Networks in Solid-State Battery Cathodes

High-energy- and power-density solid state batteries require an optimal cathode composition and microstructural arrangement of cathode active material, solid-state electrolyte, conductive carbon, and binder to simultaneously support lithium-ion transport, electron conduction, and storage capacity. The ion and electron conducting phases in solid-state cathodes counteract each other's percolating networks as their mass ratios increase or decrease relative to each other. Here, we investigate targeted mass ratio variations of argyrodite solid electrolyte and two different types of conductive carbon (particles and fibers) in composite LiNi0.8Mn0.1Co0.1O2 (NMC811) solid-state cathodes to ascertain the ionic-electronic tradeoffs in cathode performance. Through ionic and electronic conductivity measurements on composite cathodes, as well as rate-testing and cycling performance in full cells, it is shown that the conductive carbon fibers form a percolative electronic network within the composite at a lower mass ratio (3-5 wt%) than particulate carbon (>5 wt%). The threshold to achieve electronic percolation coincides with higher accessible capacity in the cathode as the active material particles become electronically connected. However, carbon loadings beyond this percolation threshold lead to increased ion transport resistance, arising from disruptions to ionic conduction pathways and degraded contact at the interface between the electrolyte and active materials. Imaging, spectroscopy, and physics-based models quantitatively describe the relationship between carbon and electrolyte compositions and the cell's capacity and rate performance through percolation theory. This work demonstrates the importance of quantitatively understanding percolating networks in solid-state cells and that strategic engineering of conductive carbon morphologies can further increase the energy- and power-density of solid-state cells.

25 ENERGY STORAGE↗
DOE OSTI2025

Calibration and characterization of the line-VISAR diagnostic at the HED-HIBEF instrument at the European XFEL

In dynamic-compression experiments, the line-imaging Velocity Interferometer System for Any Reflector (VISAR) is a well-established diagnostic used to probe the velocity history, including wave profiles derived from dynamically compressed interfaces and wavefronts, depending on material optical properties. Knowledge of the velocity history allows for the determination of the pressure achieved during compression. Such a VISAR analysis is often based on Fourier transform techniques and assumes that the recorded interferograms are free from image distortions. In this paper, we describe the VISAR diagnostic installed at the HED-HIBEF instrument located at the European XFEL along with its calibration and characterization. It comprises a two-color (532, 1064 nm), three-arm (with three velocity sensitivities) line imaging system. We provide a procedure to correct VISAR images for geometric distortions and evaluate the performance of the system using Fourier analysis. We finally discuss the spatial and temporal calibrations of the diagnostic. As an example, we compare the pressure extracted from the VISAR analysis of shock-compressed polyimide and silicon.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

SAM Code Enhancements for Fission Product Tracking of Noble Gases and Metals in MSRs

This report documents fiscal year 2026 enhancements to the System Analysis Module (SAM) for modeling fission product transport in liquid-fueled molten salt reactors (MSRs). The work advances three principal areas: noble gas transport, noble metal deposition, and user interface improvements. The noble gas transport capability integrates drift-flux gas transport, Henry’s law two-film interphase mass transfer with pressure-based nucleation suppression, Knudsen-regime pore diffusion into porous graphite with a conjugate salt-graphite interface constraint, built-in material properties, five Sherwood-number mass transfer correlations including three derived from high-fidelity NekRS simulations, and xenon-135 reactivity feedback through SAM’s point-kinetics model. This work also presents a comprehensive verification test suite, including new analytically verified cases for pressure-dependent onset of interphase gas transfer in a stagnant vertical pipe, a postulated FLiBe-graphite Xe extraction permeator, a gravity riser with a fission-product source, and a descending pipe with gas redissolution driven by hydrostatic pressure. A machine learning framework for bubble rise velocity prediction in molten salt systems is developed and benchmarked on molten-salt and diverse aqueous bubble datasets. The best-performing fine-tuned transfer-learning networks achieve an 82% reduction in RMSE relative to the Clift correlation, and is implemented directly in SAM. The noble metal transport capability is developed, including a liquid-wall deposition model and a gas-surface flotation mechanism that transfers insoluble particles entrained by sparging gas to wetted structures. Verification tests and demonstration cases cover the surface deposition, flotation efflux, and flotation shedding. Finally, a new [SpeciesTransport] input structure replaces positional global vectors with selfcontained, order-independent, named species blocks, simplifies the specification of multiphase species and decay chains, and remains fully compatible with existing SAM input files. Together, these developments improve the physical fidelity, verification basis, and usability of SAM for system-level analyses of fissionproduct behavior in MSRs.

Mui, Travis (ORCID:0000000303736470)↗
NASA NTRS1981

Corrosion in NiCd cells

Corrosion in the terminals of nickel cadmium cells was investigated. Corrosion, crevice type corrosion, at the interface between the stainless steel material, the nickel material, and the braze was examined. It was concluded that in the welded areas there was no problem. There was corrosion of the crevice type in the brazed areas and some pitting was evident between the braze and the base material.

Badcock, C.↗
NASA NTRS1984

Factors which influence directional coarsening of Gamma prime during creep in nickel-base superalloy single crystals

Changes in the morphology of the gamma prime precipitate were examined as a function of time during creep at 982 C in 001 oriented single crystals of a Ni-Al-Mo-Ta superalloy. In this alloy, which has a large negative misfit of -0.80 pct., the gamma prime particles link together during creep to form platelets, or rafts, which are aligned with their broad faces perpendicular to the applied tensile axis. The effects of initial microstructure and alloy composition of raft development and creep properties were investigated. Directional coarsening of gamma prime begins during primary creep and continues well after the onset of second state creep. The thickness of the rafts remains constant up through the onset of tertiary creep a clear indication of the stability of the finely-spaced gamma/gamma prime lamellar structure. The thickness of the rafts which formed was equal to the initial gamma prime size which was present prior to testing. The single crystals with the finest gamma prime size exhibited the longest creep lives, because the resultant rafted structure had a larger number of gamma/gamma prime interfaces per unit volume of material. Reducing the Mo content by only 0.73 wt. pct. increased the creep life by a factor of three, because the precipitation of a third phase was eliminated.

Mackay, R. A.↗
NASA NTRS1984

Microcrystalline silicon growth for heterojunction solar cells

A single source of evaporation with B mixed with highly doped Si is used instead of the coevaporation of separate Si and B sources to reduce possible carbon contamination. The results of both the heterojunction or heteroface structures, however, are similar when evaporation is used. The best Voc of the heterojunction is about 460mV and no improvement in Voc in the heteroface structure is observed. Slight Voc degradation occurred. A study of the p m-Si/p c-Si structure showed a negative Voc in many cases. The interface properties between the two materials are such that instead of repelling minority carriers from the substrate carrier, collection actually occurred. Another study of cells made in the part of substrates not covered by n-Si results in performance lower than the controls. This indicates possible substrate degradation in the process.

Iles, P. A.↗
NASA NTRS1984

Morphological changes of gamma prime precipitates in nickel-base superalloy single crystals

Changes in the morphology of the gamma prime precipitate were examined during tensile creep at temperatures between 927 and 1038 C in 001-oriented single crystals of a Ni-Al-Mo-Ta superalloy. In this alloy, which has a large negative misfit of -0.80%, the gamma prime particles link together during creep to form platelets, or rafts, which are aligned with their broad faces perpendicular to the applied tensile axis. The dimensions of the gamma and gamma prime phases were measured as directional coarsening developed in an attempt to trace the changing morphology under various stress levels. In addition, the effects of initial microstructure, as well as slight compositional variations, were related to raft development and creep properties. The results showed that directional coarsening of gamma prime began during primary creep, and under certain conditions, continued to develop after the onset of steady-state creep. The length of the rafts increased linearly with time up to a plateau region. The thickness of the rafts, however, remained equal to the initial gamma prime size at least up through the onset of tertiary creep; this is a clear indication of the stability of the finely-spaced gamma-gamma prime lamellar structure. It was found that the single crystals with the finest gamma prime size exhibited the longest creep lives, because the resultant rafted structure had a larger number of gamma-gamma prime interfaces per unit volume of material.

Mackay, R. A.↗
NASA NTRS1984

Simulation of solidification in a Bridgman cell

Bridgman-type crystal growth techniques are attractive methods for producing homogeneous, high-quality infrared detector and junction device materials. However, crystal imperfections and interface shapes still must be controlled through modification of the temperature and concentration gradients created during solidification. The objective of this investigation was to study the temperature fields generated by various cell and heatpipe configurations and operating conditions. Continuum's numerical model of the temperature, species concentrations, and velocity fields was used to describe the thermal characteristics of Bridgman cell operation.

Dakhoul, Y. M.↗
NASA NTRS1984

Factors which influence directional coarsening of gamma-prime during creep in nickel-base superalloy single crystals

Changes in the morphology of the gamma prime precipitate were examined as a function of the time during creep at 982 C in 001 oriented single crystals of a Ni-Al-Mo-Ta superalloy. In this alloy, which has a large negative misfit of -0.80 pct., the gamma prime particles link together during creep to form platelets, or rafts, which are aligned with their broad faces perpendicular to the applied tensile axis. The effects of initial microstructure and alloy composition of raft development and creep properties were investigated. Directional coarsening of gamma prime begins during primary creep and continues well after the onset of second state creep. The thickness of the rafts remains constant up through the onset of tertiary creep, a clear indication of the stability of the finely-spaced gamma/gamma prime lamellar structure. The thickness of the rafts which formed was equal to the initial gamma prime size which was present prior to testing. The single crystals with the finest gamma prime size exhibited the longest creep lives, because the resultant rafted structure had a larger number of gamma/gamma prime interfaces per unit volume of material. Reducing the Mo content by only 0.73 wt. pct. increased the creep life by a factor of three, because the precipitation of a third phase was eliminated.

Mackay, R. A.↗
NASA NTRS1986

An integrated micromechanical and macromechanical approach to fracture behavior of fiber-reinforced composites

A novel integrated micromechanical and macromechanical fracture criterion (IMMFC) was developed for the purpose of characterizing fractures in fiber-reinforced composites. The Griffith energy balance equation was modified to include the energy absorption due to matrix yielding, matrix cracks, fiber breaks, and fiber-matrix interface debonds characteristic for these materials. Parameters which are a measure of the size and density of the microflaws are introduced into the development of the IMMFC, and the concept of the R-curve is used to bridge the micromechanics and macromechanics approaches.

Mahishi, Jayant M.↗
NASA NTRS1989

Implementation of equivalent domain integral method in the two-dimensional analysis of mixed mode problems

An equivalent domain integral (EDI) method for calculating J-intergrals for two-dimensional cracked elastic bodies is presented. The details of the method and its implementation are presented for isoparametric elements. The total and product integrals consist of the sum of an area of domain integral and line integrals on the crack faces. The line integrals vanish only when the crack faces are traction free and the loading is either pure mode 1 or pure mode 2 or a combination of both with only the square-root singular term in the stress field. The EDI method gave accurate values of the J-integrals for two mode I and two mixed mode problems. Numerical studies showed that domains consisting of one layer of elements are sufficient to obtain accurate J-integral values. Two procedures for separating the individual modes from the domain integrals are presented. The procedure that uses the symmetric and antisymmetric components of the stress and displacement fields to calculate the individual modes gave accurate values of the integrals for all problems analyzed. The EDI method when applied to a problem of an interface crack in two different materials showed that the mode 1 and mode 2 components are domain dependent while the total integral is not. This behavior is caused by the presence of the oscillatory part of the singularity in bimaterial crack problems. The EDI method, thus, shows behavior similar to the virtual crack closure method for bimaterial problems.

Raju, I. S.↗
NASA NTRS1991

Alkali metal compatibility testing of candidate heater head materials for a Stirling engine heat transport system

The authors describe work performed as part of the 25-kWe advanced Stirling conversion system project. Liquid alkali metal compatibility is being assessed in an ongoing test program to evaluate candidate heater head materials and fabrication processes at the temperatures and operating conditions required for Stirling engines. Specific materials under evaluation are alloy 713LC, alloy 713LC coated with nickel aluminide, and Udimet 720, each in combination with Waspaloy. The tests were run at a constant 700 C. A eutectic alloy of sodium and potassium (NaK) was the working fluid. Titanium sheet in the system was shown to be an effective oxygen getter. Metallographic and microchemical examination of material surfaces, joints, and their interfaces revealed little or no corrosion after 1000 h. Tests are in progress, with up to 10,000 h exposure.

Noble, Jack E.↗
NASA NTRS1995

Analytical studies of hypersonic viscous dissociated flows

This project primarily dealt with integral boundary-layer solution techniques that are directly applicable to the problem of determining aerodynamic heating rates of hypersonic vehicles like X-33 in the vicinity of stagnation points, windward centerlines, and swept-wing leading edges. The analyses include effects of finite-rate gas chemistry across the boundary layer and finite-rate catalysis of atom recombination at the surface. A new approach for combining the insight afforded by integral boundary-layer analysis with comprehensive (and expensive) computational fluid dynamic (CFD) flowfield solutions of the thin-layer Navier-Stokes equations was developed. The approach extracts CFD derived quantities at the wall and at the boundary layer edge for inclusion in a post-processing boundary-layer analysis. The post-processed data base allows a designer at a workstation to ask and answer the following questions: (1) How much does the heating change if one uses a thermal protection system (TPS) with different catalytic properties than was used in the original CFD solution? (2) How does the heating change when one moves the interface of two different TPS materials with different catalytic efficiencies for the purpose of reducing vehicle weight and expense? The answer to the second question is particularly critical, because abrupt changes from low catalytic efficiency to high catalytic efficiency can lead to localized increase in heating which exceeds the usually conservative estimate provided by a fully catalytic wall assumption. A secondary issue that was addressed involves the prediction of heating levels in the vicinity of sharp corners that are transverse to or aligned with the flow. An example of the first case is heating at the edge of the COMET reentry module. An example of the second case is heating along the side edge of a deflected body flap on an SSV. The difficulty of putting grids in the vicinity of such corners with continuously varying metric coefficients causes problems in CFD predictions. A preliminary theory for prediction that says the heating at the corner is X percent of the heating N boundary-layer thicknesses inboard was developed. This will prove useful to analytically evaluate the possible benefits of rounding the edges of these configurations and defining how much rounding is sufficient.

Inger, George R.↗
NASA NTRS1996

Analytic corrections to CFD heating predictions accounting for changes in surface catalysis

Integral boundary-layer solution techniques applicable to the problem of determining aerodynamic heating rates of hypersonic vehicles in the vicinity of stagnation points and windward centerlines are briefly summarized. A new approach for combining the insight afforded by integral boundary-layer analysis with comprehensive (but time intensive) computational fluid dynamic (CFD) flowfield solutions of the thin-layer Navier-Stokes equations is described. The approach extracts CFD derived quantities at the wall and at the boundary layer edge for inclusion in a post-processing boundary-layer analysis. It allows a designer at a workstation to address two questions, given a single CFD solution. (1) How much does the heating change for a thermal protection system with different catalytic properties than was used in the original CFD solution? (2) How does the heating change at the interface of two different TPS materials with an abrupt change in catalytic efficiency? The answer to the second question is particularly important, because abrupt changes from low to high catalytic efficiency can lead to localized increase in heating which exceeds the usually conservative estimate provided by a fully catalytic wall assumption.

Gnoffo, Peter A.↗
NASA NTRS1998

The Effects of Ground and Space Processing on the Properties of Organic, Polymeric, and Colloidal Materials

In recent years, a great deal of interest has been directed toward the use of organic materials in the development of high-efficiency optoelectronic and phototonic devices. There is a myriad of possibilities among organic materials which allow flexibility in the design of unique structures with a variety of functional groups. The use of nonlinear optical (NLO) organic materials as thin film wave-guides allows full exploitation of their desirable qualifies by permitting long interaction lengths and large susceptibilities allowing modest power input. There are several methods in use to prepare thin films such as Langmuir-Blodgett (LB) and self-assembly techniques, vapor deposition, growth from sheared solution or melt, and melt growth between glass plates. Organic-based materials have many features that make them desirable for use in optical devices, such as high second-and third-order nonlinearity, flexibility of molecular design, and damage resistance to optical radiation. However, their use in devices has been hindered by processing difficulties for crystals and thin films. We discuss the potential role of microgravity processing of a few organic and polymeric materials. It is of interest to note how materials with second-and third-order NLO behavior may be improved in a diffusion-limited environment and ways in which convection may be detrimental to these materials. We focus our discussion on third-order materials for all-optical switching, and second-order materials for frequency conversion and electrooptics. The goal of minimizing optical loss obviously depends on processing methods. For solution-based processes, such as solution crystal growth and solution photopolymerization, it is well known that thermal and solutal density gradients can initiate buoyancy-driven convection. Resultant fluid flows can affect transport of material to and from growth interfaces and become manifest in the morphology and homogeneity of the growing film or crystal. Likewise, buoyancy-driven convection can hinder production of defect-free, high-quality crystals or films during crystal and film growth by vapor deposition.

Frazier, Donald O.↗