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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Surface diffusion manifestation in electrodeposition of metal anodes

Metal anode-based battery systems have been deemed indispensable towards energy storage renaissance engendering extensive research into strategies countering dendritic growth of metal electrodeposition. Fundamentally, the morphological evolution of a material is uniquely characterized by the heights of its self-diffusion barrier across multiple pathways. Herein, based on a coarse-grained kinetic Monte Carlo method, we derive insights into the nucleation and growth of metallic electrodeposits in liquid electrolytes, governed by surface self-diffusion characteristics cognizant of the diverse diffusion routes including terrace, away from step and interlayer pathways. We deconvolve the roles played by each of these surface diffusion mechanisms in conjunction with the electrochemical reaction rate on the deposition morphology regime (film vs. mossy vs. fractal). We identify interlayer diffusion as the predominant morphology-determining mechanism; dendrite-free deposition even at moderate current rates constrains this diffusion barrier to an upper limit. Additionally, we highlight subtle features amidst the realm of the morphological growth assortment that connect to the cell's electrochemical performance. Finally, we delineate morphological features of Li, Na, Mg and Al based on their respective surface diffusion barriers and applied overpotentials, and provide a baseline for the interpretation of experimental observations. This fundamental study sheds light on the mesoscale underpinnings of morphological variances in mono-valent and multi-valent metal electrodeposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

A Data Base of Crop Nutrient Use, Water Use, and Carbon Dioxide Exchange in a 20 Square Meter Growth Chamber: Wheat as a Case Study - Part 1

A data set is given describing the daily nutrient uptake, gas exchange, environmental conditions, and carbon (C), and nutrient partitioning at harvest for the entire canopy and root system of a wheat crop (Triticum aestivum, cv. Yecora Rojo). The data were obtained from a 20 sq m stand of wheat plants grown from planting to maturity in a closed, controlled environment, and include daily nutrient uptake [macronutrients, nitrogen (N), phosphorus (P), potassium (K), calcium (Ca), magnesium (Mg), and sulfur (S); and micronutrients, iron (Fe), boron (B), manganese (Mn), zinc (Zn), copper (Cu), and molybdenum (Mo)], canopy carbon dioxide (CO2) exchange rates, and transpiration. Environmental factors such as relative humidity, air temperature, nutrient solution temperature, pH and electrical conductivity, and photoperiod were controlled in the chamber to specific set points. A detailed description of biomass yield for each of the 64 plant growth trays comprising the 20 sq m of growth area is also provided, and includes dry weights of grain, straw, chaff, and roots, along with the concentration of nutrients in different plant tissues and the percent carbohydrate, fat, and protein. To our knowledge, this information represents one of the most extensive data sets available for a canopy of wheat grown from seed to maturity under controlled environmental and nutritional conditions, and thus may provide useful information for model development and validation. A methods section is included to qualify any assumptions that might he required for the use of the data in plant growth models, along with a daily event calendar indicating when adjustments in set points and occasional equipment or sensor failures occurred.

Wheeler, Raymond M.↗
NASA NTRS1993

A data base of crop nutrient use, water use, and carbon dioxide exchange in a 2O square meter growth chamber: I. Wheat as a case study

A data set is given describing the daily nutrient uptake, gas exchange, environmental conditions, and carbon (C), and nutrient partitioning at harvest for the entire canopy and root system of a wheat crop (Triticum aestivum, cv. Yecora Rojo). The data were obtained from a 20 m2 stand of wheat plants grown from planting to maturity in a closed, controlled environment, and include daily nutrient uptake [macronutrients, nitrogen (N), phosphorus (P), potassium (K), calcium (Ca), magnesium (Mg), and sulfur (S); and micronutrients, iron (Fe), boron (B), manganese (Mn), zinc (Zn), copper (Cu), and molybdenum (Mo)], canopy carbon dioxide (CO2) exchange rates, and transpiration. Environmental factors such as relative humidity, air temperature, nutrient solution temperature, pH and electrical conductivity, and photoperiod were controlled in the chamber to specific set points. A detailed description of biomass yield for each of the 64 plant growth trays comprising the 20 m2 of growth area is also provided, and includes dry weights of grain, straw, chaff, and roots, along with the concentration of nutrients in different plant tissues and the percent carbohydrate, fat, and protein. To our knowledge, this information represents one of the most extensive data sets available for a canopy of wheat grown from seed to maturity under controlled environmental and nutritional conditions, and thus may provide useful information for model development and validation. A methods section is included to qualify any assumptions that might be required for the use of the data in plant growth models, along with a daily event calendar indicating when adjustments in set points and occasional equipment or sensor failures occurred.

NASA Discipline Number 61-20↗
DOE OSTI2024

Quantitative analysis of three-dimensional fatigue crack path selection in Mg alloy WE43 using high-energy X-ray diffraction microscopy

Fatigue short-cracks in Mg alloys display complex growth behavior due to high plastic anisotropy and crack path dependence on local microstructural features. In this study, the three-dimensional crystallography of short-crack paths in Mg alloy WE43 was characterized by mapping near-field high-energy X-ray diffraction microscopy (HEDM) reconstructed grain maps to high-resolution X-ray CT reconstructions of the fracture surfaces in the crack initiation and short-crack growth regions of six ultrasonic fatigue specimens. Crack–grain–boundary intersections were analyzed at 81 locations across the six crack paths. The basal intragranular, non-basal intragranular, or intergranular character of short-crack growth following each boundary intersection was correlated to crystallographic and geometric parameters of the trailing and leading grains, three-dimensional grain boundary plane, and advancing crack front. The results indicate that crack paths are dependent on the combined crystallographic and geometric character of the local microstructure, and crack path prediction can be improved by use of dimensionality reduction on subsets of high-linear-correlation microstructural parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Why Seeding Works When Nucleation Barriers Vanish

Crystallization is a process governed by the interplay between nucleation and growth. While crystalline seeds are known to reduce nucleation barriers and accelerate crystallization under nucleation-limited conditions, their influence when nucleation is not the limiting step remains poorly understood. This creates a mechanistic puzzle in systems where nucleation barriers are already negligible, yet seeding still accelerates crystallization. Here, the synthesis of zeolites is a quintessential example of growth-limited crystallization in which seeds accelerate the process despite negligible homogeneous nucleation barriers. Using coarse-grained molecular dynamics simulations─validated across two zeolites and the unrelated case of ice crystallization─we establish that growth-limited crystallization produces many small, misoriented crystallites whose slow coarsening into larger domains controls the emergence of X-ray-detectable crystallinity. Local crystalline order, structural coherence, and X-ray detectability are therefore kinetically decoupled milestones: the first can be reached rapidly while the latter two lag significantly. Seeds resolve this lag by imposing a common orientational registry on nascent crystallites, enabling their coherent coalescence into large seed-bound domains. This early coherence-building step produces a crystallite-size asymmetry that accelerates subsequent coarsening, advancing the onset of X-ray-detectable crystallinity without necessarily increasing the nucleated fraction. We conclude that under growth-limited conditions, the apparent induction period observed in powder X-ray diffraction reflects the time required to build long-range coherence, not the time to form crystalline material. Accordingly, seeds function not primarily by reducing nucleation barriers but by enforcing spatial coherence, thereby shortening the time required to develop long-range order detectable by X-ray diffraction.

Growth-Limited Crystallization↗
NASA NTRS1978

Characterization and properties of controlled nucleation thermochemical deposited /CNTD/ silicon carbide

Results are presented for an investigation designed to characterize the microstructure of controlled nucleation thermomechanical deposition (CNTD) produced SiC material with respect to grain structure, stoichiometry, phase analysis, etc., and to evaluate the room-temperature and high-temperature fracture and oxidation behavior. By using the CNTD process, ultrafine-grained SiC is deposited on tungsten wires as substrates, with superior surface smoothness and without the macrocolumnar growth commonly observed in conventional CVD materials. The results suggest that the high-purity, fully dense, and stable grain size SiC material produced by CNTD shows potential for high-temperature structural applications, provided that pertinent problems are resolved.

Dutta, S.↗
DOE OSTI2023

Explicitly determined sea ice emissivity and emission temperature over the Arctic for surface–sensitive microwave channels

Data assimilation of satellite microwave measurements is one of the important keys to improving weather forecasting over the Arctic region. However, the use of surface-sensitive microwave-sounding channel measurements for data assimilation or retrieval has been limited, especially during winter, due to the poorly constrained sea ice emissivity. In this study, aiming at more use of those channel measurements in the data assimilation, we propose an explicit method for specifying the surface radiative boundary conditions (namely emissivity and emitting layer temperature of snow and ice). These were explicitly determined with a radiative transfer model for snow and ice and with snow/ice physical parameters (i.e., snow/ice depths and vertical distributions of temperature, density, salinity, and grain size) simulated from the thermodynamically-driven snow/ice growth model. Here we conducted 1-D Var experiments in order to examine whether this approach can help to use the surface-sensitive microwave temperature channel measurements over the Arctic sea ice region for data assimilation. Results show that (1) the surface-sensitive microwave channels can be used in the 1-D Var retrieval, and (2) the specification of the radiative boundary condition at the surface using the snow/sea ice emission model can significantly improve the atmospheric temperature retrieval, especially in the lower troposphere (500 hPa to surface). The successful retrieval suggests that useful information can be extracted from surface-sensitive microwave-sounding channel radiances over sea ice surfaces through the explicit determination of snow/ice emissivity and emitting layer temperature.

1-D Var retrieval↗
DOE OSTI2024

Chemical Long-Range Disorder in Prussian Blue Analogues for Potassium Storage

Ordered Prussian blue analogues (PBAs) are vital cathode materials for ion storage, but strong interactions between the framework and host ions, especially large ions like K + , hinder ion migration, leading to poor diffusion kinetics and reduced reaction activity. Here, in this study, we present an approach to overcome this challenge by constructing chemical long-range disorder (LRD) in PBAs, involving maintaining inherent local coordination while introducing disorder over long-range spatial dimensions. Order control is achieved by introducing a large-sized lattice to disrupt the original lattice growth during synthesis. Unlike traditional monocrystalline particles, the abundant grain boundaries in the obtained LRD structure create significant potential fluctuations, generating additional electric fields that enhance ion transport. Furthermore, the short lattice coherence length reduces interaction between the framework and K + . These factors collectively contribute to the improved electrochemical activity of LRD PBAs during K + storage. This finding opens new avenues for designing PBA structures and offers insights into their structure-electrochemical performance relationship.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗
DOE OSTI2026

Mechanism-Resolved PFM of Ferroionic and Ferroelectric Responses in Thickness-Gradient Hf 0.5 Zr 0.5 O 2 Libraries

Resolving growth mechanisms and thickness evolution of functional properties is one of the key tasks in materials discovery and optimization involving thin-film materials, traditionally requiring significant experimental budgets. Here we introduce the combination of thickness-gradient libraries and automated scanning probe microscopy as a systematic pathway to elucidate growth modes and disentangle ferroelectric and electrochemical contributions in ferroelectric thin films. As a model system, we explore the Hf 0.5 Zr 0.5 O 2 (HZO) gradient thin films grown on La x Sr 1-x MnO 3 (LSMO) bottom electrode thin films. Automated piezoresponse force microscopy, spectroscopy, and lithography reveals that irreversible topographic deformation arises from electrochemical activity at the LSMO surface, whereas reversible phase inversion in HZO reflects ferroelectric switching. Automated topography height-map scans are used to further quantify nucleation density, particle-size evolution, and roughness correlations across the thickness-gradient, demonstrating that improved plume stabilization during growth suppresses interfacial reactions and promotes dense, fine-grained HZO conducive to ferroelectric phase formation. This combined materials-engineering and automated-SPM framework establishes a platform for high-throughput, mechanism-resolved characterization of ferroionic and ferroelectric responses in complex oxide films.

FOS: Physical sciences↗
NASA NTRS1974

Metallurgical processing in space

Research in metallurgical processing to study the effects of reduced gravity started with Apollo 14 and advanced with Skylab. Experiments provided specimens for analysis which solidified while constrained and while freely floating, which contained a mixture of normally immiscible materials, demonstrated enhanced capillary flow, solubility and ordered growth of a directionally solidified eutectic. The smaller, equiaxed grain structure obtained in reduced gravity compared to the larger, elongated grains obtained in one gravity indicate a difference in convection due to gravity in constrained solidification. Freely floating nickel alloy specimens showing metallic gas evolution at low pressure and reduced gravity suggest reduced pressure reactions which cannot occur on earth even in high vacuum chambers due to the hydrostatic head in the molten metal. Directionally solidified eutectics showed fewer termination defects when grown in reduced gravity. These are a few of the differences observed due to reduced gravity which could have important consequences on the future of metallurgy. In this paper we attempt to correlate the results of several Skylab solidification experiments.

Mckannan, E. C.↗
NASA NTRS1978

Size effects and electron microscopy of thin metal films

All films were deposited by resistive heated evaporation in an oil diffusion pumped vacuum system (ultimate approx. equal to 0.0000001 torr). The growth from nuclei to a continuous film is highly dependent on the deposition parameters, evaporation rate as well as substrate material and substrate temperature. The growth stages of a film and the dependence of grain size on various deposition and annealing parameters are shown. Resistivity measurements were taken on thin films to observe size effects.

Hernandez, J. D.↗
NASA NTRS1983

Fatigue crack initiation and propagation in several nickel-base superalloys at 650 C

The modes of crack initiation and propagation of several nickel-base superalloys have been examined after fatigue and creep-fatigue testing at 650 C. In fatigue, crack initiation was transgranular and frequently associated with porosity or inclusions in the higher strength alloys. These defects were usually located at the surface, except for tests at low strain ranges where larger, internal defects often initiated failure. Although fatigue crack initiation was transgranular, in those alloys with grain sizes of less than 15 microns, fatigue crack growth quickly became intergranular. This transition was environmentally assisted and did not occur for subsurface cracks until the crack broke through to the atmosphere. In the creep-fatigue cycle, which included a 900 s tensile dwell, crack initiation and propagation were both intergranular in all alloys.

Gayda, J.↗
NASA NTRS1986

Grain boundary oxidation and oxidation accelerated fatigue crack nucleation and propagation

Fatigue life at elevated temperatures is often shortened by oxidation. Grain boundary oxidation penetrates deeper than the surface oxidation. Therefore, grain boundary oxide penetration could be the primary cause of accelerated fatigue crack nucleation and propagation, and the shortened fatigue life at elevated temperatures. Grain boundary oxidation kinetics was studied and its statistical scatter was analyzed by the Weibull's distribution function. The effects of grain boundary oxidation on shortened fatigue life was analyzed and discussed. A model of intermittent microruptures of the grain boundary oxide was proposed for the fatigue crack growth in the low frequency region. The proposed model is consistent with the observations that fatigue crack growth rate in the low frequency region with hold time at K sub max is inversely proportional to cyclic frequency and that crack growth is intergranular.

Liu, H. W.↗
NASA NTRS1999

In Situ Monitoring of Crystal Growth Using MEPHISTO, Mission STS 87-Program USMP-4: Experimental Analysis

This report summarizes the results of the In situ Monitoring of Crystal Growth Using MEPHISTO (Material por l'Etude des Phenomenes Interessant de la Solidification sur Terre et en Orbite) experiment on USMP-4. The report includes microstructural and compositional data obtained during the first year of the post flight analysis, as well as numerical simulation of the flight experiment. Additional analyses are being continued and will be reported in the near future. The experiments utilized MEPHISTO hardware to study the solidification and melting behavior of bismuth alloyed with 1 at% tin. The experiments involved repeated melting and solidification of three samples, each approximately 90 cm long and 6mm in diameter. Half of each sample also included a 2 mm. diameter growth capillary, to assist in the formation of single grain inside. One sample provided the Seebeck voltage generated during melting and freezing processes. Another one provided temperature data and Peltier pulsed demarcation of the interface shape for post flight analysis. The third sample provided resistance and velocity measurements, as well as additional thermal data. The third sample was also quenched at the end of the mission to preserve the interface composition for post flight determination. A total of more than 45cm of directionally solidified alloy were directionally solidified at the end of the flight for post mission structural and compositional characterization. Metallurgical analysis of the samples has shown that the interfacial kinetics play a key role in controlling the morphological stability of faceted alloys. Substantial differences were observed in the Seebeck signal between the ground-based experiments and the space-based experiments. The temperature gradient in the liquid for the ground-based experiments was also significantly lower than the temperature gradient in the liquid for the space-based experiments. Both of these observations indicate significant influence of liquid convection for the ground-based experiments.

Abbaschian, Reza↗
NASA NTRS1994

Plant Responses to Increased UV-B Radiation: A Research Project

Ozone decrease implies more ultraviolet-B (UV-B) radiation reaching the surface of the Earth. Increased UV-B radiation triggers responses by living organisms. Despite the large potential impacts on vegetation, little is known about UV-B effects on terrestrial ecosystems. Long-term ecological studies are needed to quantify the effects of increased UV radiation on terrestrial ecosystems, asses the risks, and produce reliable data for prediction. Screening pigments are part of one of the protective mechanism in plants. Higher concentrations of screening pigments in leaves may be interpreted as a response to increased UV radiation. If the screening effect is not sufficient, important molecules will be disturbed by incoming radiation. Thus, genetics, photosynthesis, growth, plant and leaf shape and size, and pollen grains may be affected. This will have an impact on ecosystem dynamics, structure and productivity. It is necessary to monitor selected terrestrial ecosystems to permit detection and interpretation of changes attributable to global climate change and depleted ozone shield. The objectives of this project are: (1) To identify and measure indicators of the effects of increased solar UV-B radiation on terrestrial plants; (2) to select indicators with the greatest responses to UV-B exposure; (3) to test, adapt or create ecosystem models that use the information gathered by this project for prediction and to enhance our understanding of the effects of increased UV-B radiation on terrestrial ecosystems. As a first step to achieve these objectives we propose a three-year study of forest and steppe vegetation on the North slope of the Brooks Range (within the Arctic circle, in Alaska), in the Saguaro National Monument (near Tucson, Arizona) and in the forests and steppes of Patagonia (Argentina). We selected (1) vegetation north of the Polar Circle because at 70N there is 8% risk of plant damage due to increased UV-B radiation; (2) the foothills of Catalina Mountains because there is anecdotal evidence of plant damage on the saguaros that has been linked to increased UV radiation, and (3) the forests of Nothofagus spp. and the steppe of Patagonia where the risk of plant damage at 35S is 5% and increases to as much as 15% at 55S due to increased UV-B radiation. Measurements of UV-B radiation impinging on the surface at 55S largely exceed the predicted UV-B radiation values at 50 latitude and 0% ozone depletion. Preliminary HPLC analyses of UV-B absorbing compounds in Nothofagus antartica, N. pumilio, N. betuloides and Rumex sp. in natural conditions show species-specific patterns. The spectrum of N. antartica grown at 38S differs significantly from that of N. antartica in natural conditions in Ushuaia (55S). These results suggest that the selected main area (Patagonia) is appropriate for assessing the problem and its magnitude and that Nothofagus is appropriate for our study.

DAntoni, H. L.↗
NASA NTRS2003

The Nakhla Martian Meteorite is a Cumulate Igenous Rock. Comment on "Glass-Bearing Inclusions in Nakhla (SNC Meteorite) Augite: Heterogeneously Trapped Phases"

All the properties of the Nakhla Martian meteorite suggest that it is a cumulate igneous rock, formed from a basaltic parental magma. Anomalous magmatic inclusions in Nakhla s augite grains can be explained by disequilibrium processes during crystal growth, and have little significance in the geological history of the meteorite.

Treiman, A. H.↗
NASA NTRSDate not supplied

Low-Temperature Formation of Carbonaceous Grains from PAHs

Astronomical observations have detected interstellar carbon in the form of polycyclic aromatic hydrocarbons(PAHs) as well as carbonaceous dust, confirming its presence in both gaseous and solid phases. The goal of this study is to experimentally investigate low-temperature chemical pathways between these two phases in order to better understand the evolution of cosmic carbon. Cosmic dust analogs are produced in the supersonic expansion of an argon jet seeded with aromatic molecules: benzene, naphthalene, anthracene, phenanthrene, and pyrene. These are prototype aromatic molecules of compact and non compact structure, and are used to evaluate the effect of precursor structure on the molecular complexity of the resulting grains. The seeded jet is exposed to an electrical discharge and the carbonaceous grains are collected and probed ex situ via laser desorption mass spectrometry. Mass spectra reveal a rich molecular diversity within the grains, including fragments of the parent molecule but also growth into larger complex organic molecules (COMs). In all experiments, the largest number of products is found in the m/z range 200-250, and C16H10 (attributed to pyrene and/or its isomers) is found to be a dominant product, pointing at the formation of this stable PAH as a preferential route in the growth to larger PAHs. Comparison to mass spectra from the Murchison meteorite reveals a similar dominance of compounds related toC16H10 at m/z = 202. Evidence of the methyl addition-cyclization mechanism in the anthracene experiment is reported. PAH structure is found to impact the dust production yield, as seen by the greater yield for the anthracene compared to the phenanthrene experiment. PAH growth at low temperatures via barrierless routes involving the addition of alkyl- and phenyl-type radicals is suggested as a viable pathway to COMs. These results suggest that PAH growth and dust formation from PAHs are feasible at low temperatures in photon-dominated regions and circumstellar envelopes.

L Gavilan↗