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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Experimental Measurements of Ion Diffusion Coefficients and Heating in a Multi-Ion-Species Plasma Shock

Collisional plasma shocks generated from supersonic flows are an important feature in many astrophysical and laboratory high-energy-density plasmas. Compared to single-ion-species plasma shocks, plasma shock fronts with multiple ion species contain additional structure, including interspecies ion separation driven by gradients in species concentration, temperature, pressure, and electric potential. We present time-resolved density and temperature measurements of two ion species in collisional plasma shocks produced by head-on merging of supersonic plasma jets, allowing determination of the ion diffusion coefficients. Here our results provide the first experimental validation of the fundamental inter-ion-species transport theory. The temperature separation, a higher-order effect reported here, is valuable for advancements in modeling HED and ICF experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Large-scale physically accurate modelling of real proton exchange membrane fuel cell with deep learning

Proton exchange membrane fuel cells, consuming hydrogen and oxygen to generate clean electricity and water, suffer acute liquid water challenges. Accurate liquid water modelling is inherently challenging due to the multi-phase, multi-component, reactive dynamics within multi-scale, multi-layered porous media. In addition, currently inadequate imaging and modelling capabilities are limiting simulations to small areas (<1 mm 2 ) or simplified architectures. Herein, an advancement in water modelling is achieved using X-ray micro-computed tomography, deep learned super-resolution, multi-label segmentation, and direct multi-phase simulation. The resulting image is the most resolved domain (16 mm 2 with 700 nm voxel resolution) and the largest direct multi-phase flow simulation of a fuel cell. This generalisable approach unveils multi-scale water clustering and transport mechanisms over large dry and flooded areas in the gas diffusion layer and flow fields, paving the way for next generation proton exchange membrane fuel cells with optimised structures and wettabilities.

25 ENERGY STORAGE↗
DOE OSTI2023

A Generalization of Threshold-Based and Probability-Based Models of Information Diffusion

Diffusion of information through complex networks is of interest in studies such as propagation prediction and influence maximization, both of which have applications in viral marketing and rumor controlling. There are a variety of information diffusion models, all of which simulate the adoption and spread of information over time. However, there is a lack of understanding of whether, despite their conceptual differences, these models represent the same underlying generative structures. For instance, if two different models utilize different conceptual mechanisms, but generate the same results, does the choice of model matter? A classification of diffusion of information models is developed based on the neighbor knowledge of the model infection requirement and the stochasticity of the model. This classification allows for the identification of models that fall into each respective category. The study involves the analysis of the following agent-based models on directed scale-free networks: (1) a linear absolute threshold model (LATM), (2) a linear fractional threshold model (LTFM), (3) the independent cascade model (ICM), (4) Bass-Rand-Rust model (BRRM) (5) a stochastic linear absolute threshold model (SLATM) (6) a stochastic fractional threshold model (SLFTM), and (7) Dodds–Watts model (DWM). Through the execution of simulations and analysis of the experimental results, the distinctive properties of each model are identified. Our analysis reveals that similarity in conceptual design does not imply similarity in behavior concerning speed, final state of nodes and edges, and sensitivity to parameters. Therefore, we highlight the importance of considering the unique behavioral characteristics of each model when selecting a suitable information diffusion model for a particular application.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

Electrocatalysis for oxygen electrodes in fuel cells and water electrolyzers for space applications

The lead ruthenate pyrochlore Pb2Ru2O6.5, in both high- and low-area forms, has been characterized using thermogravimetric analysis, X-ray photoelectron spectroscopy, X-ray diffraction, cyclic voltammetry, and O2 reduction and generation kinetic-mechanistic studies. Mechanisms are proposed. Compounds in which part of the Ru is substituted with Ir have also been prepared. They exhibit somewhat better performance for O2 reduction in porous, gas-fed electrodes than the unsubstituted compound. The anodic corrosion resistance of pyrochlore-based porous electrodes was improved by using two different anionically conducting polymer overlayers, which slow down the diffusion of ruthenate and plumbate out of the electrode. The O2 generation performance was improved with both types of electrodes. With a hydrogel overlayer, the O2 reduction performance was also improved.

Prakash, Jai↗
NASA NTRS1987

Gamma-ray constraints on Na-22 yields in nova explosions

The longitudinal distribution of diffuse 1.275 MeV emission produced by the decay of interstellar Na-22 generated by a limited class of energetic novae-accreting ONeMg white dwarfs is modeled. The probability distributions for the locations of disk novae are derived as functions of Galactocentric cylindrical coordinates. The occurrence rate for novae of all classes in the Galactic disk is about 30/yr. An occurrence rate of about 16/yr is found for spheroid novae of all classes. By comparing these simulation results with HEAO 3 upper limits on diffuse 1.275 MeV emission, upper limits of (3-5.6) x 10 to the -7th solar mass are determined for the mean Na-22 yield for energetic novae generated by accreting ONeMg white dwarfs. These Na-22 limits constrain future models of explosive nucleosynthesis in energetic nova explosions.

Higdon, J. C.↗
NASA NTRS1972

Practical method for diffusion welding of steel plate in air.

Description of a simple and easily applied method of diffusion welding steel plate in air which does not require a vacuum furnace or hot press. The novel feature of the proposed welding method is that diffusion welds are made in air with deadweight loading. In addition, the use of an autogenous (self-generated) surface-cleaning principle (termed 'auto-vac cleaning') to reduce the effects of surface oxides that normally hinder diffusion welding is examined. A series of nine butt joints were diffusion welded in thick sections of AISI 1020 steel plate. Diffusion welds were attempted at three welding temperatures (1200, 1090, and 980 C) using a deadweight pressure of 34,500 N/sq m (5 psi) and a two-hour hold time at temperature. Auto-vac cleaning operations prior to welding were also studied for the same three temperatures. Results indicate that sound welds were produced at the two higher temperatures when the joints were previously fusion seal welded completely around the periphery. Also, auto-vac cleaning at 1200 C for 2-1/2 hours prior to diffusion welding was highly beneficial, particularly when subsequent welding was accomplished at 1090 C.

Moore, T. J.↗
DOE OSTI2013

Kaiso is a key regulator of spleen germinal center formation by repressing Bcl6 expression in splenocytes

Highlights: •Knockout of Kaiso results in concordant high expression of Bcl6 and c-Myc in spleen. •Kaiso binds the Bcl6 promoter and represses Bcl6 transcription by recruiting NCoR. •Upregulated Bcl6 increases splenocyte proliferation and causes large diffused GC. •Cell cycle-inhibition genes such as Cdkn1b and Cdkn1a are repressed by Bcl6. -- Abstract: Kaiso was previously described as a methylated DNA-binding protein and a transcription repressor interacting with the corepressor protein complex NCoR. In the current study, we show that generation-3 Kaiso knockout mice show a phenotype of splenomegaly and large diffused germinal centers (GC). In the spleens of Kaiso knockout mice, Bcl6 (a transcriptional repressor that plays a critical role in GC development in spleen) and c-Myc were highly expressed, while the cell cycle arrest genes p27 (CDKN1B), p21 (CDKN1A) and Gadd45a were downregulated. Chromatin immunoprecipitation (ChIP) and transcription assays suggested that Kaiso represses Bcl6 expression, and in Kaiso knockout mice, derepressed Bcl6 increased cell proliferation by suppressing p27 (CDKN1B), p21 (CDKN1A) and Gadd45a, while upregulating the oncogene c-Myc. Further evidence for Kaiso regulation of splenomegaly was provided by B lymphocyte Ramos cells, in which ectopic KAISO repressed BCL6 and c-MYC expression, while concomitantly increasing the expression of the cell cycle arrestors p21, p27 and Gadd45a. In summary, derepressed Bcl6 expression may be responsible for increases in GC cell proliferation and splenomegaly of Kaiso knockout mice.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

REBIRTH OF X-RAY EMISSION FROM THE BORN-AGAIN PLANETARY NEBULA A30

The planetary nebula A30 is believed to have undergone a very late thermal pulse resulting in the ejection of knots of hydrogen-poor material. Using multi-epoch Hubble Space Telescope images, we have detected the angular expansion of these knots and derived an age of 850{sup +280}{sub -150} yr. To investigate the spectral and spatial properties of the soft X-ray emission detected by ROSAT, we have obtained Chandra and XMM-Newton deep observations of A30. The X-ray emission from A30 can be separated into two components: a point source at the central star and diffuse emission associated with the hydrogen-poor knots and the cloverleaf structure inside the nebular shell. To help us assess the role of the current stellar wind in powering this X-ray emission, we have determined the stellar parameters and wind properties of the central star of A30 using a non-LTE model fit to its optical and UV spectra. The spatial distribution and spectral properties of the diffuse X-ray emission are highly suggestive that it is generated by the post-born-again and present fast stellar winds interacting with the hydrogen-poor ejecta of the born-again event. This emission can be attributed to shock-heated plasma, as the hydrogen-poor knots are ablated by the stellar winds, under which circumstances the efficient mass loading of the present fast stellar wind raises its density and damps its velocity to produce the observed diffuse soft X-rays. Charge transfer reactions between the ions of the stellar winds and material of the born-again ejecta have also been considered as a possible mechanism for the production of diffuse X-ray emission, and upper limits on the expected X-ray production by this mechanism have been derived. The origin of the X-ray emission from the central star of A30 is puzzling: shocks in the present fast stellar wind and photospheric emission can be ruled out, while the development of a new, compact hot bubble confining the fast stellar wind seems implausible.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Comparison of Serpent and HELIOS-2 as applied for the PWR few-group cross section generation

This paper discusses recent modifications to the Serpent Monte Carlo code methodology and related to the calculation of few-group diffusion coefficients and reflector discontinuity factors The new methods were assessed in the following manner. First, few-group homogenized cross sections calculated by Serpent for a reference PWR core were compared with those generated 1 commercial deterministic lattice transport code HELIOS-2. Second, Serpent and HELIOS-2 fe group cross section sets were later employed by nodal diffusion code DYN3D for the modeling the reference PWR core. Finally, the nodal diffusion results obtained using the both cross section sets were compared with the full core Serpent Monte Carlo solution. The test calculations show that Serpent can calculate the parameters required for nodal analyses similar to conventional deterministic lattice codes. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Molecular Simulations of CH 4 and CO 2 Diffusion in Rigid Nanoporous Amorphous Materials

Molecular diffusion in nanoporous materials is important in determining the rate of equilibration of various adsorption processes and plays a pivotal role in kinetic separations and membrane-based separations. Because generating realistic structures of amorphous nanoporous materials is difficult, far less is known about diffusion in amorphous nanoporous materials than in their crystalline counterparts. Here, we present molecular dynamics simulations assessing the room-temperature self-diffusion of CH 4 and CO 2 in a wide range of rigid amorphous nanoporous materials, including porous carbons, kerogens, polymers of intrinsic microporosity, and hyper-cross-linked polymers. Our results are the largest collection of molecular diffusivities in amorphous nanoporous materials to date. In each material, the diffusivity increases with the adsorbate concentration at low and moderate adsorbate concentrations, reaching a maximum before decreasing due to steric effects at higher concentrations. The observed diffusivities are much slower than that would be expected based on standard descriptions of Knudsen diffusivity. Here we show that the observed diffusivities are not correlated in a simple way with scalar descriptors of the pore structures such as the pore limiting diameter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Numerical Simulations of Vortex Generator Vanes and Jets on a Flat Plate

Numerical simulations of a single low-profile vortex generator vane, which is only a small fraction of the boundary-layer thickness, and a vortex generating jet have been performed for flows over a flat plate. The numerical simulations were computed by solving the steady-state solution to the Reynolds-averaged Navier-Stokes equations. The vortex generating vane results were evaluated by comparing the strength and trajectory of the streamwise vortex to experimental particle image velocimetry measurements. From the numerical simulations of the vane case, it was observed that the Shear-Stress Transport (SST) turbulence model resulted in a better prediction of the streamwise peak vorticity and trajectory when compared to the Spalart-Allmaras (SA) turbulence model. It is shown in this investigation that the estimation of the turbulent eddy viscosity near the vortex core, for both the vane and jet simulations, was higher for the SA model when compared to the SST model. Even though the numerical simulations of the vortex generating vane were able to predict the trajectory of the stream-wise vortex, the initial magnitude and decay of the peak streamwise vorticity were significantly under predicted. A comparison of the positive circulation associated with the streamwise vortex showed that while the numerical simulations produced a more diffused vortex, the vortex strength compared very well to the experimental observations. A grid resolution study for the vortex generating vane was also performed showing that the diffusion of the vortex was not a result of insufficient grid resolution. Comparisons were also made between a fully modeled trapezoidal vane with finite thickness to a simply modeled rectangular thin vane. The comparisons showed that the simply modeled rectangular vane produced a streamwise vortex which had a strength and trajectory very similar to the fully modeled trapezoidal vane.

Allan, Brian G.↗
DOE OSTI2022

Application of BISON to UO 2 MiniFuel fission gas release analysis

There has been a recent push to accelerate fuel qualification by developing revolutionary capabilities to reduce irradiation periods, and thereby, reduce the time required to qualify a new fuel system. One such capability is the MiniFuel irradiation capsule designed to miniaturize fuel samples and irradiate “mini” fuel samples under isothermal temperature conditions. MiniFuel allows steady-state irradiations to decouple the traditionally coupled fission rate (i.e., power) and temperature parameters to understand and generate microstructures observed in fuel operated in a commercial reactor. Furthermore, this process offers the possibility to gather in situ data as well as postirradiation or transient data such as thermal conductivity, specific heat, fission gas diffusion and release, etc. However, accelerating fuel qualification is not solely reliant on generating large amounts of data but also on developing an informed test matrix designed to rapidly generate impactful data. Additionally, this process is reliant on fuel performance codes, such as BISON, to evaluate MiniFuel irradiations using existing material models. This process pinpoints model/data gaps, identifies desired irradiation conditions, and subsequently supports model validation and development. This work describes the use of BISON to perform a number of sensitivity studies designed to understand conditions that lead to fission gas release (FGR) under steady-state isothermal irradiation conditions and temperature transient conditions. The model is applied to a UO 2 MiniFuel example and shows an overall good qualitative agreement with experimental FGR annealing tests under different temperature conditions. It also accounts well for microstructural effects on FGR. When quantitatively compared with FGR data from previously irradiated 103 MWd/kgU UO 2 discs under thermal annealing, the model shows a less satisfactory agreement with the experimental data. Finally, a UO 2 MiniFuel test matrix is proposed to help to extend the model's operational range and validate the new FGR model capabilities to higher burnups and transient conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1975

Diffusion length measurements using the scanning electron microscope

A measurement technique employing the scanning electron microscope is described in which values of the true bulk diffusion length are obtained. It is shown that surface recombination effects can be eliminated through the application of highly doped surface field layers. The influence of high injection level effects and low-high junction current generation on the resulting measurement was investigated. Close agreement is found between the diffusion lengths measured by this method and those obtained using a penetrating radiation technique.

Weizer, V. G.↗
DOE OSTI2018

Large, nonsaturating thermopower in a quantizing magnetic field

The thermoelectric effect is the generation of an electrical voltage from a temperature gradient in a solid material due to the diffusion of free charge carriers from hot to cold. Identifying materials with a large thermoelectric response is crucial for the development of novel electric generators and coolers. We theoretically consider the thermopower of Dirac/Weyl semimetals subjected to a quantizing magnetic field. We contrast their thermoelectric properties with those of traditional heavily doped semiconductors and show that, under a sufficiently large magnetic field, the thermopower of Dirac/Weyl semimetals grows linearly with the field without saturation and can reach extremely high values. Our results suggest an immediate pathway for achieving record-high thermopower and thermoelectric figure of merit, and they compare well with a recent experiment on Pb 1–x Sn x Se.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Measuring Diffusion and Recombination in Polycrystalline Silicon

Light-beam-induced currents yield information about solar cell material. Apparatus measures short-circuit current generated when spot of concentrated light is scanned across grains and grain boundaries in material under test. Technique used to evaluate SOC samples for diffusion and recombination effects of cell processing and chemical and structural defects.

Zook, J. D.↗
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

De novo design of protein structure and function with RFdiffusion

Abstract There has been considerable recent progress in designing new proteins using deep-learning methods 1–9 . Despite this progress, a general deep-learning framework for protein design that enables solution of a wide range of design challenges, including de novo binder design and design of higher-order symmetric architectures, has yet to be described. Diffusion models 10,11 have had considerable success in image and language generative modelling but limited success when applied to protein modelling, probably due to the complexity of protein backbone geometry and sequence–structure relationships. Here we show that by fine-tuning the RoseTTAFold structure prediction network on protein structure denoising tasks, we obtain a generative model of protein backbones that achieves outstanding performance on unconditional and topology-constrained protein monomer design, protein binder design, symmetric oligomer design, enzyme active site scaffolding and symmetric motif scaffolding for therapeutic and metal-binding protein design. We demonstrate the power and generality of the method, called RoseTTAFold diffusion (RFdiffusion), by experimentally characterizing the structures and functions of hundreds of designed symmetric assemblies, metal-binding proteins and protein binders. The accuracy of RFdiffusion is confirmed by the cryogenic electron microscopy structure of a designed binder in complex with influenza haemagglutinin that is nearly identical to the design model. In a manner analogous to networks that produce images from user-specified inputs, RFdiffusion enables the design of diverse functional proteins from simple molecular specifications.

Science & Technology - Other Topics↗
NASA NTRS1990

Thermal diffusivity of diamond films

A laser pulse technique to measure the thermal diffusivity of diamond films deposited on a silicon substrate is developed. The effective thermal diffusivity of diamond film on silicon was measured by observing the phase and amplitude of the cyclic thermal waves generated by the laser pulses. An analytical model is developed to calculate the effective in-plane (face-parallel) diffusivity of a two layer system. The model is used to reduce the effective thermal diffusivity of the diamond/silicon sample to a value for the thermal diffusivity and conductivity of the diamond film. Phase and amplitude measurements give similar results. The thermal conductivity of the films is found to be better than that of type 1a natural diamond.

Albin, Sacharia↗