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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Understanding the effect of minor alloying elements on helium bubble formation in ferritic-martensitic steels

Ferritic-martensitic steels are promising structural materials for advanced nuclear reactors. To minimize long-term radioactivity, reduced-activation ferritic-martensitic steels have been developed by substituting high-activation elements like Ni and Mo with low-activation elements such as W. However, the impact of these alloying modifications on helium bubble formation, which plays a key role in material swelling, remains unclear. Here, in this study, we compared helium bubble formation in ferritic-martensitic steel T91 and reduced-activation ferritic-martensitic steel F82H. Both materials were irradiated with sequential 100 keV, 150 keV, and 200 keV helium ions to a dose of 0.5 dpa and a helium concentration of 9,000 appm at 500°C. The helium bubbles in F82H exhibited a larger average size and a lower density than those in T91, suggesting differences in minor alloying elements may influence the bubble growth. Here, to investigate the effects of these alloying elements, we characterized radiation-induced segregation near bubbles and grain boundaries. Prominent Ni-Mn-Si enriched clusters were found near bubbles in T91, while only Mn-Si enriched clusters were found near bubbles in F82H. In addition, the obvious Cr enrichment near grain boundaries was absent around bubbles in both steels. The different segregation trends among elements revealed the variations in element diffusion mechanisms and the different sink biases between bubbles and grain boundaries. Cr enrichment near grain boundaries is mostly driven by interstitial-mediated diffusion. However, since bubble growth relies on net vacancy flux, vacancy-mediated diffusion plays a dominant role in controlling element segregation near bubbles. Therefore, Cr enrichment was not found near bubbles. Because of preferential vacancy-drag diffusion for Ni, Si and Mn, these elements were enriched near bubbles. Due to the strong binding energies of vacancies with these solute atoms, the vacancy diffusivity can be reduced near these solutes. Therefore, the more prominent Ni-Si-Mn clustered near helium bubbles in T91 lead to stronger suppression of helium bubble growth compared to F82H.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Electrification Within Wintertime Stratiform Regions Sampled During the 2020/2022 NASA IMPACTS Field Campaign

Two nor'easter events—sampled during the NASA Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Snowstorms (IMPACTS) field campaign—were examined to characterize the microphysics in relation to the underlying electrification processes within wintertime stratiform regions. A theoretical model was developed to determine whether accretion or diffusion growth regimes were preferential during periods of greatest electrification. Model simulation with electrification parameterization was used to provide supplemental context to the physical processes of in-cloud microphysics and electrification. The strongest electric fields (i.e., ∼80 V m −1 at 20 km) during the 2020 NASA IMPACTS deployment was associated with large non-rimed ice crystals colliding with each other. During the 29–30 January 2022 science flight, the NASA P-3 microphysical probe data demonstrated that non-inductive charging was possible off the coastline of Cape Cod, Massachusetts. Later in the science flight, when the NASA P-3 and ER-2 were coordinating with each other, measured electric fields consistently were less than 8 V m −1 and electrification was subdued owing to reduced concentrations of graupel and large ice hydrometeors. Altogether, the in-situ observations provide evidence for the non-riming collisional charging mechanism and demonstrates that graupel and supercooled liquid water may not be necessary for weak electrification within wintertime stratiform regions. Model output from simulation of both events suggested that the main synoptic snowbands were associated with elevated hydrometeor snow charge density and electric fields.

snowfall↗
DOE OSTI2021

Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals

Abstract Despite the large number of reports on colloidal nanocrystals, very little is known about the mechanistic details in terms of nucleation and growth at the atomistic level. Taking bimetallic core-shell nanocrystals as an example, here we integrate in situ liquid-cell transmission electron microscopy with first-principles calculations to shed light on the atomistic details involved in the nucleation and growth of Pt on Pd cubic seeds. We elucidate the roles played by key synthesis parameters, including capping agent and precursor concentration, in controlling the nucleation site, diffusion path, and growth pattern of the Pt atoms. When the faces of a cubic seed are capped by Br − , Pt atoms preferentially nucleate from corners and then diffuse to edges and faces for the creation of a uniform shell. The diffusion does not occur until the Pt deposited at the corner has reached a threshold thickness. At a high concentration of the precursor, self-nucleation takes place and the Pt clusters then randomly attach to the surface of a seed for the formation of a non-uniform shell. These atomistic insights offer a general guideline for the rational synthesis of nanocrystals with diverse compositions, structures, shapes, and related properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Diffusion in intact secondary cell wall models of plants at different equilibrium moisture content

Secondary plant cell walls are composed of carbohydrate and lignin polymers, and collectively represent a significant renewable resource. Leveraging these resources depends in part on a mechanistic understanding for diffusive processes within plant cell walls. Common wood protection treatments and biomass conversion processes to create biorefinery feedstocks feature ion or solvent diffusion within the cell wall. X-ray fluorescence microscopy experiments have determined that ionic diffusion rates are dependent on cell wall hydration as well as the ionic species through non-linear relationships. In this work, we use classical molecular dynamics simulations to map the diffusion behavior of different plant cell wall components (cellulose, hemicellulose, lignin), ions (Na + , K + , Cu2 + , Cl - ) and water within a model for an intact plant cell wall at various hydration states (3-30 wt% water). From these simulations, we analyze the contacts between different plant cell wall components with each other and their interaction with the ions. Generally, diffusion increases with increasing hydration, with lignin and hemicellulose components increasing diffusion by an order of magnitude over the tested hydration range. Ion diffusion depends on charge. Positively charged cations preferentially interact with hemicellulose components, which include negatively charged carboxylates. As a result, positive ions diffuse more slowly than negatively charged ions. Measured diffusion coefficients are largely observed to best fit piecewise linear trends, with an inflection point between 10 and 15% hydration. These observations shed light onto the molecular mechanisms for diffusive processes within secondary plant cell walls at atomic resolution.

09 BIOMASS FUELS↗
DOE OSTI2022

Molecular simulation of lignin-related aromatic compound permeation through gram-negative bacterial outer membranes

Lignin, an abundant aromatic heteropolymer in secondary plant cell walls, is the single largest source of renewable aromatics in the biosphere. Leveraging this resource for renewable bioproducts through targeted microbial action depends on lignin fragment uptake by microbial hosts and subsequent enzymatic action to obtain the desired product. Recent computational work has emphasized that bacterial inner membranes are permeable to many aromatic compounds expected from lignin depolymerization processes. In this study, we expand on these findings through simulations for 42 lignin-related compounds across a gram-negative bacterial outer membrane model. Unbiased simulation trajectories indicate that spontaneous crossing for the full outer membrane is relatively rare at molecular simulation timescales, primarily due to preferential membrane partitioning and slow diffusion within the lipopolysaccharide layer within the outer membrane. Membrane partitioning and permeability coefficients were determined through replica exchange umbrella sampling simulations to overcome sampling limitations. We find that the glycosylated lipopolysaccharides found in the outer membrane increase the permeation barrier to many lignin-related compounds, particularly the most hydrophobic compounds. However, the effect is relatively modest; at industrially relevant concentrations, uncharged lignin-related compounds will readily diffuse across the outer membrane without the need for specific porins. Together, our results provide insight into the permeability of the bacterial outer membrane for assessing lignin fragment uptake and the future production of renewable bioproducts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Solar Ion Processing of Major Element Surface Compositions of Mature Mare Soils: Insights from Combined XPS and Analytical TEM Observations

Solar wind ions are capable of altering the sur-face chemistry of the lunar regolith by a number of mechanisms including preferential sputtering, radiation-enhanced diffusion and sputter erosion of space weathered surfaces containing pre-existing compositional profiles. We have previously reported in-situ ion irradiation experiments supported by X-ray photoelectron spectroscopy (XPS) and analytical TEM that show how solar ions potentially drive Fe and Ti reduction at the monolayer scale as well as the 10-100 nm depth scale in lunar soils [1]. Here we report experimental data on the effect of ion irradiation on the major element surface composition in a mature mare soil.

Christoffersen, R.↗
NASA NTRS2017

Metallized Nanotube Polymer Composite (MNPC) and Methods for Making Same

A novel method to develop highly conductive functional materials which can effectively shield various electromagnetic effects (EMEs) and harmful radiations. Metallized nanotube polymer composites (MNPC) are composed of a lightweight polymer matrix, superstrong nanotubes (NT), and functional nanoparticle inclusions. MNPC is prepared by supercritical fluid infusion of various metal precursors (Au, Pt, Fe, and Ni salts), incorporated simultaneously or sequentially, into a solid NT-polymer composite followed by thermal reduction. The infused metal precursor tends to diffuse toward the nanotube surface preferentially as well as the surfaces of the NT-polymer matrix, and is reduced to form nanometer-scale metal particles or metal coatings. The conductivity of the MNPC increases with the metallization, which provides better shielding capabilities against various EMEs and radiations by reflecting and absorbing EM waves more efficiently. Furthermore, the supercritical fluid infusion process aids to improve the toughness of the composite films significantly regardless of the existence of metal.

Park, Cheol↗
DOE OSTI2023

Evolving radon diffusion through earthen barriers at uranium waste disposal sites

Field measurements of Rn-222 fluxes from the tops and bottoms of compacted clay radon barriers were used to calculate effective Rn diffusion coefficients (D Rn ) at four uranium waste disposal sites in the western United States to assess cover performance after more than 20 years of service. Values of D Rn ranged from 7.4 × 10 -7 to 6.0 × 10 -9 m 2 /s, averaging 1.42 × 10 -7 . Water saturation (S W ) from soil cores indicated that there was relatively little control of D Rn by S W , especially at higher moisture levels, in contrast to estimates from most steady-state diffusion models. Further, this is attributed to preferential pathways intrinsic to construction of the barriers or to natural process that have developed over time including desiccation cracks, root channels, and insect burrows in the engineered earthen barriers. A modification to some models in which fast and slow pathway D Rn values are partitioned appears to give a good representation of the data; 4% of the fast pathway was needed to fit the data regression. For locations with high S w and highest D Rn (and fluxes) at each site, the proportion of fast pathway ranged from 1.7% to 34%, but for many locations with lower fluxes, little if any fast pathway was needed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Defect and structural evolution under high-energy ion irradiation informs battery materials design for extreme environments

Understanding defect evolution and structural transformations constitutes a prominent research frontier for ultimately controlling the electrochemical properties of advanced battery materials. Herein, for the first time, we utilize in situ high-energy Kr ion irradiation with transmission electron microscopy to monitor how defects and microstructures evolve in Na- and Li-layered cathodes with 3d transition metals. Our experimental and theoretical analyses reveal that Li-layered cathodes are more resistant to radiation-induced structural transformations, such as amorphization than Na-layered cathodes. The underlying mechanism is the facile formation of Li-transition metal antisite defects in Li-layered cathodes. The quantitative mathematical analysis of the dynamic bright-field imaging shows that defect clusters preferentially align along the Na/Li ion diffusion channels ( a-b planes), which is likely governed by the formation of dislocation loops. Our study provides critical insights into designing battery materials for extreme irradiation environments and understanding fundamental defect dynamics in layered oxides.

25 ENERGY STORAGE↗
NASA NTRS1981

Silicon materials task of the low-cost solar array project. Phase 4: Effects of impurities and processing on silicon solar cells

The results of the study form a basis for silicon producers, wafer manufacturers, and cell fabricators to develop appropriate cost-benefit relationships for the use of less pure, less costly solar grade silicon. Cr is highly mobile in silicon even at temperatures as low as 600 C. Contrasting with earlier data for Mo, Ti, and V, Cr concentrations vary from place to place in polycrystalline silicon wafers and the electrically-active Cr concentration in the polysilicon is more than an order of magnitude smaller than would be projected from single crystal impurity data. We hypothesize that Cr diffuses during ingot cooldown after growth, preferentially segregates to grain and becomes electrically deactivated. Accelerated aging data from Ni-contaminated silicon imply that no significant impurity-induced cell performance reduction should be expected over a twenty year device lifetime.

Hopkins, R. H.↗
NASA NTRS2003

Sprectroscopic and time-resolved optical methods and apparatus for imaging objects in turbed media

Method and apparatus for imaging objects in turbid media. In one embodiment, the method comprises illuminating at least a portion of the turbid medium with substantially monochromatic light of at least two wavelengths in the 600-1500 nm spectral range. A first of the at least two wavelengths is equal to a resonance wavelength for an optical property of an object in the illuminated portion of the turbid medium but is not equal to a resonance wavelength for the turbid medium. A second of the at least two wavelengths is not equal to a resonance wavelength for either the object or the turbid medium. Light emergent from the turbid medium following each of the foregoing illuminations comprises a ballistic component, a snake component and a diffuse component. A direct shadowgram image may be obtained by preferentially passing from the emergent light, following each illumination. the ballistic and snake components thereof and detecting the preferentially passed light. Alternatively, an inverse reconstruction image may be obtained by determining, following each illumination, the intensity of the diffuse component at a plurality of points in time and then using these pluralities of intensity determinations and a mathematical inversion algorithm to form an image of the object in the turbid medium. An image of the object with higher contrast and better quality may be obtained by using the ratio or difference of the images recorded with resonant light and non-resonant light.

Alfano, Robert R.↗
NASA NTRS1985

The plasma mechanism for preferential acceleration of heavy ions

The induced scattering of ion-acoustic waves on ions is considered for preferential preacceleration of heavy elements. The reconsidered diffusion coefficient in velocity space is used. If the threshold velocity for the main acceleration is linear in charge-to-mass ratio, the induced scattering can account for the observed heavy element abundances in solar cosmic rays.

Kocharov, L. G.↗
NASA NTRS1978

Performance characteristics of two annular dump diffusers using suction-stabilized vortex flow control

Test results are described for two abrupt area change annular diffusers with provisions for maintaining suction stabilized toroidal vortices at the area discontinuity. Both diffusers had an overall area ratio of 4.0 with the prediffuser area ratio being 1.18 for diffuser A and 1.4 for diffuser B. Performance was evaluated at near atmospheric pressure and temperature for a range of inlet Mach numbers from 0.18 to 0.41 and suction rates from 0 to 18%. Static pressure recovery improved significantly as the suction rate was increased to approximately 11%. Results obtained with diffuser A were superior to that obtained with diffuser B. Flat radial profiles of exit velocity were not obtained since the flow showed preferential hub or tip attachment at moderate suction rates. At high suction rates the diffuser exit flow became circumferentially nonuniform and unstable.

Juhasz, A. J.↗
NASA NTRS1999

Oxygen Diffusion and Reaction Kinetics in Continuous Fiber Ceramic Matrix Composites

Previous stressed oxidation tests of C/SiC composites at elevated temperatures (350 C to 1500 C) and sustained stresses (69 MPa and 172 MPa) have led to the development of a finite difference cracked matrix model. The times to failure in the samples suggest oxidation occurred in two kinetic regimes defined by the rate controlling mechanisms (i.e. diffusion controlled and reaction controlled kinetics). Microstructural analysis revealed preferential oxidation along as-fabricated, matrix microcracks and also suggested two regimes of oxidation kinetics dependent on the oxidation temperature. Based on experimental results, observation, and theory, a finite difference model was developed. The model simulates the diffusion of oxygen into a matrix crack bridged by carbon fibers. The model facilitates the study of the relative importance of temperature, the reaction rate constant, and the diffusion coefficient on the overall oxidation kinetics.

Halbig, Michael C.↗
DOE OSTI2025

Preferential adsorption of noble gases in zeolitic tuff with variable saturation: A modeling study of counter-intuitive diffusive-adsorptive behavior

Noble gas transport through geologic media has important applications in the prediction and characterization of measured gas signatures related to underground nuclear explosions (UNEs). Retarding processes such as adsorption can cause significant species fractionation of radionuclide gases, which has implications for measured and predicted signatures used to distinguish radioxenon originating from civilian nuclear facilities or from UNEs. Accounting for the effects of variable water saturation in geologic media on tracer transport is one of the most challenging aspects of modeling gas transport because there is no unifying relationship for the associated tortuosity changes between different rock types, and reactive transport processes such as adsorption that are affected by the presence of water likewise behave differently between gas species. In this study, we perform numerical diffusive-adsorptive transport simulations to estimate gas transport parameters associated with bench-scale laboratory diffusion cell experiments measuring breakthrough in zeolitic and non-zeolitic rocks for a gaseous mixture of xenon, krypton, and SF 6 at varying degrees of water saturation (S w ). Counter-intuitive transport behavior was observed in the zeolitic rock experiments whereby breakthrough concentrations were significantly higher when the core was partially saturated (S w = 17 %) than under dry (S w = 0 %) conditions. Breakthrough of xenon was especially retarded in the dry core – likely due to comparatively high affinity of xenon for zeolitic adsorption sites – and estimated effective diffusion coefficients for all gases were approximately an order of magnitude lower than what is predicted by porosity-tortuosity models. We propose the counter-intuitive behavior observed is because water infiltration of zeolite nanopores reduces both the adsorptive capacity of the rock and the tortuosity of connected flow paths. We developed a two-site competitive kinetic Langmuir adsorption reaction for the porous media transport simulator in order to constrain transport parameters within zeolitic tuff, where differential adsorption to zeolite and non-zeolite pores was observed. We determined that liquid saturation-dependent diffusive-adsorptive transport is affected by subtle and at times competing processes that are specific to different gases, which have a significant overall influence on effective transport parameters.

58 GEOSCIENCES↗
DOE OSTI2023

Effects of surface vacancy-adatom pair formation on PFC tungsten surface morphological response

Abstract We report a simulation study of the effect of He-irradiation-induced surface vacancy-adatom pair formation on the surface morphological evolution of plasma-facing component (PFC) tungsten and examine a number of factors that impact such evolution. Our analysis is based on self-consistent dynamical simulations according to an atomistically-informed, continuum-scale surface evolution model that has been developed following a hierarchical multiscale modeling strategy and can access the spatiotemporal scales of relevance to fuzz formation. The model accounts for the flux of surface adatoms generated as a result of the surface vacancy-adatom pair formation effect upon He implantation, which contributes to the anisotropic growth of surface nanostructural features due to the different rates of adatom diffusion along and across step edges of islands on the tungsten surface. We have carried out atomic-scale computations of optimal diffusion pathways along and across island step edges on the W(110) surface and calculated Ehrlich–Schwoebel (ES) barriers in adatom diffusion along and across such step edges. This aspect of surface adatom diffusion contributes to anisotropic surface atomic fluxes, terrace and step diffusive currents, and has been incorporated into our PFC surface evolution model, which predicts the formation of preferentially aligned nanoridge stripe patterns on the PFC surface. We establish that these anisotropic diffusive currents accelerate nanotendril growth on the PFC surface and the onset of surface nanostructure pattern formation. We also explore systematically the dependence of the PFC surface morphological response on the surface temperature and He ion incident flux, characterize in detail the resulting surface topographies and growth kinetics, and compare the predicted surface morphologies with experimental observations. Our simulation predictions for the emerging surface nanostructure patterns under certain plasma exposure conditions are consistent with experimental findings in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Variations of organic functional chemistry in carbonaceous matter from the asteroid 162173 Ryugu

Abstract Primordial carbon delivered to the early earth by asteroids and meteorites provided a diverse source of extraterrestrial organics from pre-existing simple organic compounds, complex solar-irradiated macromolecules, and macromolecules from extended hydrothermal processing. Surface regolith collected by the Hayabusa2 spacecraft from the carbon-rich asteroid 162173 Ryugu present a unique opportunity to untangle the sources and processing history of carbonaceous matter. Here we show carbonaceous grains in Ryugu can be classified into three main populations defined by spectral shape: Highly aromatic (HA), Alkyl-Aromatic (AA), and IOM-like (IL). These carbon populations may be related to primordial chemistry, since C and N isotopic compositions vary between the three groups. Diffuse carbon is occasionally dominated by molecular carbonate preferentially associated with coarse-grained phyllosilicate minerals. Compared to related carbonaceous meteorites, the greater diversity of organic functional chemistry in Ryugu indicate the pristine condition of these asteroid samples.

Science & Technology - Other Topics↗
NASA NTRS1988

Water-module interaction studies

Mechanisms by which moisture enters photovoltaic modules and techniques for reducing such interactions are reported. Results from a study of the effectiveness of various module sealants are given. Techniques for measuring the rate and quantity of moisture ingress are discussed. It is shown that scribe lines and porous frit bridging conductors provide preferential paths for moisture ingress and that moisture diffusion by surface/interfacial paths is considerably more rapid than diffusion by bulk paths, which implies that thin-film substrate and supersubstrate modules are much more vulnerable to moist environments than are bulk-encapsulated crystalline-silicon modules. Design approaches that reduce moisture entry are discussed.

Mon, G.↗