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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Fracture of boron filaments in an aluminum matrix.

The B-Al composite specimens tested in this study were fabricated by diffusion bonding of 1230 aluminum foil and boron filaments placed in alternate layers, using an acrylic resin solution to maintain filament spacing. The specimens were put under tensile stresses parallel to the filaments, and filament fracture was monitored acoustically under loads. Fracture of specimens under loads was caused by break propagation with a characteristic wedge-type fragmentation pattern indicating its direction. The aluminum foil matrix of the specimens failed by ductile shear type fracture after the break of the filaments.

Steele, J. H.↗
DOE OSTI2021

Thermal diffusivity and thermal conductivity of SiC composite tubes: the effects of microstructure and irradiation

Cladding thermal conductivity is an important physical property in assessing the performance of silicon carbide (SiC)-cladded fuels for nuclear reactors. However, there is a significant lack of reliable data, particularly for irradiated materials, because the geometry complicates the measurement. This study investigates the thermal diffusivity of coupons with a curvature, machined from SiC fiber–reinforced SiC matrix composite tubes, with and without neutron irradiation under light water reactor–relevant temperature and dose conditions. The tested materials included full composite and duplex SiC composite tubes. The measurements were conducted using a modern flash diffusivity apparatus. The analyzed area on the specimen during diffusivity testing was reduced for improved measurement accuracy due to sample curvature. Post-irradiation measurements showed that the effects of neutron irradiation on thermal conductivity (e.g. thermal defect resistivity) are different between SiC composite plates versus tubes. The difference was explained by higher matrix density of the tube than the plate. This study provides reliable thermal properties of prototypic SiC composite tubes useful for fuel performance modeling of SiC-based cladding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Anomalous relaxation and the high-temperature structure factor of XXZ spin chains

We compute the spin-structure factor of XXZ spin chains in the Heisenberg and gapped (Ising) regimes in the high-temperature limit for nonzero magnetization, within the framework of generalized hydrodynamics, including diffusive corrections. The structure factor shows a hierarchy of timescales in the gapped phase, owing to s-spin magnon bound states (“strings”) of various sizes. Although short strings move ballistically, long strings move primarily diffusively as a result of their collisions with short strings. The interplay between these effects gives rise to anomalous power-law decay of the spin-structure factor, with continuously varying exponents, at any fixed separation in the late-time limit. We elucidate the cross-over to diffusion (in the gapped phase) and to superdiffusion (at the isotropic point) in the half-filling limit. We verify our results via extensive matrix product operator calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Connecting Hindered Transport in Porous Media across Length Scales: From Single-Pore to Macroscopic

Hindered mass transport is widely observed in various porous media, including filtration membranes and porous rocks. However, there is no universal model capable of predicting transport in porous media due to the heterogeneity of porous structures and the complexity of the underlying microscopic mechanisms, including electrostatic and hydrodynamic effects. Here, we used a highly ordered porous medium (i.e. a silica inverse opal film) as a model system to directly explore the effects of geometric parameters (i.e. pore size, pore throat size and tracer particle size) and microscopic interaction parameters (e.g. controlled by ionic strength) on nanoparticle transport in porous environments using three-dimensional single-particle tracking. We found a linear scaling relation between the macroscopic diffusion coefficient and microscopic diffusion behaviors and a combination of parameters associated with microscopic features and phenomena, including both geometric effects and particle-level interactions. The proportionality coefficient relating micro and macro behaviors was complex and related to the connectivity of the matrix and pore-size variation, which could lead to tortuous diffusion pathways, hindering macroscopic transport. Furthermore, these findings provide important insights into nanoparticles and macromolecules transport in various porous media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Eigenfunction methods in magnetospheric radial-diffusion theory

Complete sets of orthonormal basis functions constructed according to a generalization of the quantum-mechanical WKB approximation can be used to generate a nearly-diagonal matrix representation of the radial-transport operator for ring-current ions in the presence of radial diffusion and charge exchange. The resulting eigenfunctions (constructed by weighting the basis functions in proportion to the respective components of the eigenvectors of the matrix representation) and eigenvalues provide a spatial and temporal description of the evolving phase-space density during and following a magnetospheric disturbance (e.g., a magnetic storm). A linear superposition of the basis functions can also be used to eliminate any discrepancy between the steady-state solution of the transport equation and the appropriate WKB approximation of this steady-state solution.

Schulz, Michael↗
DOE OSTI2023

Multiscale modeling of solute diffusion in triblock copolymer membranes

We develop a multiscale simulation model for diffusion of solutes through porous triblock copolymer membranes. The approach combines two techniques: self-consistent field theory (SCFT) to predict the structure of the self-assembled, solvated membrane and on-lattice kinetic Monte Carlo (kMC) simulations to model diffusion of solutes. Solvation is simulated in SCFT by constraining the glassy membrane matrix while relaxing the brush-like membrane pore coating against the solvent. The kMC simulations capture the resulting solute spatial distribution and concentration-dependent local diffusivity in the polymer-coated pores; we parameterize the latter using particle-based simulations. We apply our approach to simulate solute diffusion through nonequilibrium morphologies of a model triblock copolymer, and we correlate diffusivity with structural descriptors of the morphologies. We also compare the model’s predictions to alternative approaches based on simple lattice random walks and find our multiscale model to be more robust and systematic to parameterize. Furthermore, our multiscale modeling approach is general and can be readily extended in the future to other chemistries, morphologies, and models for the local solute diffusivity and interactions with the membrane.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Diffusion behaviors between metallic fuel alloys with Pd addition and Fe

Fission product lanthanides (Lns) in metallic fuel is the primary cause of fuel-cladding chemical interaction (FCCI). Palladium (Pd) is being explored as a potential additive to reduce or mitigate FCCI by forming stable Pd-Ln compounds. The current study is an investigation of diffusion behaviors between UZrPd, UZrPdLn, UPuZrPd, and UPuZrPdLn alloys (Ln = 53Nd-25Ce-16Pr-6La wt. %) and iron (Fe). Diffusion couple tests were performed followed by microstructural analysis using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). It is found that the diffusion of Fe into the fuel is reduced by PdZr2 precipitates randomly dispersed throughout the fuel matrix. Ln-Pd compounds form in UZrPdLn alloys, and (Ln,Pu)Pd forms in the UPuZrPdLn alloy. In both diffusion couples with Ln, small amounts of Lns are diffusing into the Fe. This could be due to small amounts of dissolved Lns in the precipitates, or could be due to the Ln-Pd compounds decomposing. In either case, diffusion caused by Lns is greatly reduced.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

TU-CD-BRB-09: Prediction of Chemo-Radiation Outcome for Rectal Cancer Based On Radiomics of Tumor Clinical Characteristics and Multi-Parametric MRI

Purpose: To evaluate the tumor clinical characteristics and quantitative multi-parametric MR imaging features for prediction of response to chemo-radiation treatment (CRT) in locally advanced rectal cancer (LARC). Methods: Forty-three consecutive patients (59.7±6.9 years, from 09/2013 – 06/2014) receiving neoadjuvant CRT followed by surgery were enrolled. All underwent MRI including anatomical T1/T2, Dynamic Contrast Enhanced (DCE)-MRI and Diffusion-Weighted MRI (DWI) prior to the treatment. A total of 151 quantitative features, including morphology/Gray Level Co-occurrence Matrix (GLCM) texture from T1/T2, enhancement kinetics and the voxelized distribution from DCE-MRI, apparent diffusion coefficient (ADC) from DWI, along with clinical information (carcinoembryonic antigen CEA level, TNM staging etc.), were extracted for each patient. Response groups were separated based on down-staging, good response and pathological complete response (pCR) status. Logistic regression analysis (LRA) was used to select the best predictors to classify different groups and the predictive performance were calculated using receiver operating characteristic (ROC) analysis. Results: Individual imaging category or clinical charateristics might yield certain level of power in assessing the response. However, the combined model outperformed than any category alone in prediction. With selected features as Volume, GLCM AutoCorrelation (T2), MaxEnhancementProbability (DCE-MRI), and MeanADC (DWI), the down-staging prediciton accuracy (area under the ROC curve, AUC) could be 0.95, better than individual tumor metrics with AUC from 0.53–0.85. While for the pCR prediction, the best set included CEA (clinical charateristics), Homogeneity (DCE-MRI) and MeanADC (DWI) with an AUC of 0.89, more favorable compared to conventional tumor metrics with an AUC ranging from 0.511–0.79. Conclusion: Through a systematic analysis of multi-parametric MR imaging features, we are able to build models with improved predictive value over conventional imaging or clinical metrics. This is encouraging, suggesting the wealth of imaging radiomics should be further explored to help tailor the treatment into the era of personalized medicine. This work is supported by the National Science Foundation of China (NSFC Grant No. 81201091), National High Technology Research and Development Program of China (863 program, Grant No. 2015AA020917), and Fund Project for Excellent Abroad Scholar Personnel in Science and Technology.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Lattice Parameter Evolution during the β-to-α and β-to-ω Transformations of Iron- and Aluminum-Modified Ti-11Cr(at.%)

β-titanium (β-Ti) alloys are useful in diverse industries because their mechanical properties can be tuned by transforming the metastable β phase into other metastable and stable phases. Relationships between lattice parameter and β-Ti alloy concentrations have been explored, but the lattice parameter evolution during β-phase transformations is not well understood. In this work, the β-Ti alloys, Ti-11Cr, Ti-11Cr-0.85Fe, Ti-11Cr-5.3Al, and Ti-11Cr-0.85Fe-5.3Al (all in at.%), underwent a 400 °C aging treatment for up to 12 h to induce the β-to-ω and β-to-α phase transformations. Phase identification and lattice parameters were measured in situ using high-temperature X-ray diffraction. Phase compositions were measured ex situ using atom probe tomography. During the phase transformations, Cr and Fe diffused from the ω and α phases into the β matrix, and the β-phase lattice parameter exhibited a corresponding decrease. The decrease in β-phase lattice parameter affected the α- and ω-phase lattice parameters. The α phase in the Fe-free alloys exhibited α-phase c/a ratios close to those of pure Ti. A larger β-phase composition change in Ti-11Cr resulted in larger ω-phase lattice parameter changes than that for Ti-11Cr-0.85Fe. This work illuminates the complex relationship between diffusion, composition, and structure for these diffusive/displacive transformations.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Oxidation Microstructure Studies of Reinforced Carbon/Carbon

Laboratory oxidation studies of reinforced carbon/carbon (RCC) are discussed with particular emphasis on the resulting microstructures. This study involves laboratory furnace (500-1500 C deg) and arc-jet exposures (1538 C deg) on various forms of RCC. RCC without oxidation protection oxidized at 800 and 1100 C deg exhibits pointed and reduced diameter fibers, due to preferential attack along the fiber edges. RCC with a SiC conversion coating exhibits limited attack of the carbon substrate at 500, 700 and 1500 C deg. However samples oxidized at 900, 1100, and 1300 C deg show small oxidation cavities at the SiC/carbon interface below through-thickness cracks in the SiC coating. These cavities have rough edges with denuded fibers and can be easily distinguished from cavities created in processing. Arc-jet tests at 1538 C deg show limited oxidation attack when the SiC coating and glass sealants are intact. When the SiC/sealant protection system is damaged, attack is extensive and proceeds through matrix cracks, creating denuded fibers on the edges of the cracks. Even at 1538 C deg, where diffusion control dominates, attack is non-uniform with fiber edges oxidizing in preference to the bulk fiber and matrix.

Jacobson, Nathan S.↗
DOE OSTI2018

PARFUME Theory and Model Basis Report

The success of gas reactors depends upon the safety and quality of the coated particle fuel. The fuel performance modeling code PARFUME simulates the mechanical, thermal and physico-chemical behavior of fuel particles during irradiation. This report documents the theory and material properties behind vari¬ous capabilities of the code, which include: 1) various options for calculating CO production and fission product gas release, 2) an analytical solution for stresses in the coating layers that accounts for irradiation-induced creep and swelling of the pyrocarbon layers, 3) a thermal model that calculates a time-dependent temperature profile through a pebble bed sphere or a prismatic block core, as well as through the layers of each analyzed particle, 4) simulation of multi-dimensional particle behavior associated with cracking in the IPyC layer, partial debonding of the IPyC from the SiC, particle asphericity, and kernel migration (or amoeba effect), 5) two independent methods for determining particle failure probabilities, 6) a model for calculating release-to-birth (R/B) ratios of gaseous fission products that accounts for particle failures and uranium contamination in the fuel matrix, and 7) the evaluation of an accident condition, where a particle experiences a sudden change in temperature following a period of normal irradiation. The accident condi¬tion entails diffusion of fission products through the particle coating layers and through the fuel matrix to the coolant boundary. This document represents the initial version of the PARFUME Theory and Model Basis Report. More detailed descriptions will be provided in future revisions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1977

Pollutant dispersal in a nonuniform flow

Closed-form solutions are presented for the diffusion of an inert pollutant in a nonuniform flow; matrix analysis is employed to facilitate the solutions. In particular, cases involving an instantaneous point release, a constant point source, and an instantaneous line release are treated. Computations with and without the effects of velocity nonuniformities are given for the dispersal of the ground cloud resulting from the launch of a large rocket (the cloud considered as an instantaneous point source) and the dispersal of an aircraft exhaust (the exhaust considered as an instantaneous line release). In both cases the velocity nonuniformities have important effects on the computations.

Smith, G. L.↗
NASA NTRS1980

Metamorphism of the H-group chondrites - Implications from compositional and textural trends in chondrules

The paper discusses element bulk compositions of 373 chondrules from 18 H3 to H6 chondrites determined by broad-beam electron probe analysis. Bulk chondrule FeO and Al2O3 amounts increase and TiO2 and Cr2O3 decrease with increasing petrologic type; normative faylite, albite, and plagioclase amounts increase through the petrologic sequence. Chondrule diameters correlate with phenocryst sizes in porphyritic chondrules of type 3 chondrites, but this correlation is diminished in the higher petrologic types. The compositional trends in chondrules through the petrologic sequence are attributed to diffusion and equilibration among chondrules, and between chondrules and matrix in response to increasing degrees of thermal metamorphism. It is suggested that H-group chondrites are formed by accretion of high-temperature (chondrules) and low-temperature (matrix) materials. Internal reheating of the parent materials to different temperatures caused compositional equilibration, grain coarsening, and reduction of FeO to Fe(0) by carbon.

Lux, G.↗
NASA NTRS1988

FTIR characterization of thermally cycled PMR-15 composites

Chemical characterization results are presented for a variety of PMR-15/graphite composites, differentiated according to prepreg types and cure cycles, which were subjected to 1000 thermal cycles between 0 and 450 F. Fourier transform IR spectroscopy was used in conjunction with diffuse reflectance sampling to examine whether changes in the matrix resin chemistry due to environmental exposure may have contributed to microcracking. Analysis based on compound spectra revealed behavior associated with the oxidation of methylene groups to carbonyl groups on the composite surface; evidence of crosslinking also emerged, although the two phenomena do not appear to be related.

Young, Philip R.↗
NASA NTRS1991

Composition of chondrule silicates in LL3-5 chondrites and implications for their nebular history and parent body metamorphism

The composition of 75 type-IA and type-II porphyritic olivine chondrules from nine LL type 3 to type 5 chondrites was determined and was compared with that of chondrules from the Semarkona type 3.0 meteorite. Chemical data for silicates in the LL3.3-5 chondrites indicated that porphyritic olivine chondrules in these chondrites could be derived from chondrules similar to those from the Semarkona LL3.0, the least metamorphosed one of the known LL chondrites. It is shown that the chemical trends defined by the minerals of type-IA and type-II chondrules can be satisfactorily accounted for by the process of solid-state diffusive equilibration between minerals in chondrules and the opaque matrix rather than by changes in conditions during chondrule crystallization.

Mccoy, Timothy J.↗
DOE OSTI2022

Impact of Concurrent Solubilization and Fines Migration on Fracture Aperture Growth in Shales during Acidized Brine Injection

Acidic hydraulic fracturing fluid chemically and physically alters shale rock fabric during injection and shut-in, creating a “reaction-altered zone” along the fracture faces. To better characterize the variable thickness and composition of this reaction-altered zone under advective flow, we take a coupled experimental and modeling approach. A fluidic cell, with six fiducial markers, is first fabricated to keep the rock sample in place during the core floods and to allow image alignment of acquired images. Then, we conduct a series of reactive core floods in a clay-rich siliceous Wolfcamp shale sample with 10 wt % carbonate, using a synthetic fracturing fluid under no confining stress and at room temperature. High-resolution computed tomography (CT) scans are periodically conducted to observe the spatial alteration of the fracture network. We then perform scanning electron microscopy (SEM-EDS) on the two orthogonal surfaces (fracture surface and freshly cut profile face) to generate high-resolution elemental maps that show the change in mineralogy, both with distance along a given flow path along a fracture surface and with depth from the fracture surface into the shale matrix. These results are contrasted against a two-dimensional (2D) advection-diffusion reaction model developed previously for batch reactions between shale and synthetic fracturing fluids. The model simulates the geochemical interaction occurring at the fracture/matrix interface and penetrating into the shale matrix during the reactive core flood. Both model and experimental results show that the acidic brine is neutralized during the core flood, corresponding to an increase in fracture aperture as a function of fluid volume injected with the greatest change near the inlet. SEM-EDS scans reveal significant dissolution of carbonates on the fracture surface without pyrite oxidation. The reactive transport model indicates that carbonate depletion into the shale interior should be observable, yet SEM-EDS shows no discernible loss of carbonate in the orthogonal profile face. The combination of these observations suggests an additional fracture evolution mechanism in the reactive system, i.e., fines migration. We show that fines migration enhances the access of fracturing fluid to the matrix resulting in a more pronounced fracture widening. Finally, we conclude that coupled mineral dissolution and fines migration govern fracture aperture growth during acidized brine injection. In this work, we effectively show the underlying risk of relying solely on models that do not include an important (transport) process that can alter the system significantly and propose a combined chemomechanical mechanism for fracture evolution appropriate for this shale mineralogy.

58 GEOSCIENCES↗
DOE OSTI2016

Room-Temperature Micron-Scale Exciton Migration in a Stabilized Emissive Molecular Aggregate

We report 1.6 ± 1 μm exciton transport in self-assembled supramolecular light-harvesting nanotubes (LHNs) assembled from amphiphillic cyanine dyes. We stabilize LHNs in a sucrose glass matrix, greatly reducing light and oxidative damage and allowing the observation of exciton–exciton annihilation signatures under weak excitation flux. Fitting to a one-dimensional diffusion model, we find an average exciton diffusion constant of 55 ± 20 cm 2 /s, among the highest measured for an organic system. We develop a simple model that uses cryogenic measurements of static and dynamic energetic disorder to estimate a diffusion constant of 32 cm 2 /s, in agreement with experiment. We ascribe large exciton diffusion lengths to low static and dynamic energetic disorder in LHNs. We argue that matrix-stabilized LHNS represent an excellent model system to study coherent excitonic transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Analytical homogenization techniques applied to the Fickian diffusion: Effective diffusivity coefficient

For multiple applications in nuclear energy, the ability to accurately represent material behavior with a simplified model is important to facilitate practical engineering-scale simulations. In this work, we focus on the homogenized thermal response of a medium containing spherical inclusions, similar to a fuel form (compact or pebble) containing TRISO particles. An extensive survey on effective thermal conductivity modeling was performed in our previous study, considering a random distribution of mono-sized spherical inclusions in a continuous matrix. Using the analogy between heat conduction and the simplified Fickian diffusion (or fission product species conservation), we can use the same analytical homogenization methods to obtain ETC as for the effective diffusivity coefficient (EDC). We performed several numerical experiments at varying conditions to assess the validity of our hypothesis for EDC calculations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗