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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Passivation and alloying element retention in gas atomized powders

A method for gas atomization of a titanium alloy, nickel alloy, or other alumina (Al.sub.2O.sub.3)-forming alloy wherein the atomized particles are exposed as they solidify and cool in a very short time to multiple gaseous reactive agents for the in-situ formation of a passivation reaction film on the atomized particles wherein the reaction film retains a precursor halogen alloying element that is subsequently introduced into a microstructure formed by subsequent thermally processing of the atomized particles to improve oxidation resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Theoretical prediction and atomic kinetic Monte Carlo simulations of void superlattice self-organization under irradiation

Nano-structured superlattices may have novel physical properties and irradiation is a powerful mean to drive their self-organization. However, the formation mechanism of superlattice under irradiation is still open for debate. Here we use atomic kinetic Monte Carlo simulations in conjunction with a theoretical analysis to understand and predict the self-organization of nano-void superlattices under irradiation, which have been observed in various types of materials for more than 40 years but yet to be well understood. The superlattice is found to be a result of spontaneous precipitation of voids from the matrix, a process similar to phase separation in regular solid solution, with the symmetry dictated by anisotropic materials properties such as one-dimensional interstitial atom diffusion. This discovery challenges the widely accepted empirical rule of the coherency between the superlattice and host matrix crystal lattice. The atomic scale perspective has enabled a new theoretical analysis to successfully predict the superlattice parameters, which are in good agreement with independent experiments. The theory developed in this work can provide guidelines for designing target experiments to tailor desired microstructure under irradiation. Furthermore, it may also be generalized for situations beyond irradiation, such as spontaneous phase separation with reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigation on zinc substituted highly porous improved catalytic activity of NiFe2O4 nanocrystal by co-precipitation method

Highlights: • A thriftily viable co-precipitation technique has been used to synthesize Zn substituted NiFe{sub 2}O{sub 4} nanoparticles. • An essential structural, optical and magnetic property has been investigated. • Augmentation of Photo-Fenton activity after increasing the zinc concentration has been observed and deliberated. • Strong dependence of photo-fenton activity and cumulative increase degradation efficiency. - Abstract: Connecting to various applications of nickel ferrite as a ceramic magnetic nanocomposite in diverse manufacturing and technical categories, it is essential to optimize its optical, magnetic and microstructural characteristics. Hence a facile route was developed to fabricate nickel zinc ferrite (Ni{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4}) nanocomposites by co-precipitation route. The enviable spinel phase was studied by X-ray diffractometer and the crystallite size was found to vary from 8 to 15 nm. By Transmission Electron Microscopy, the micro structural and speck distribution was found in the range of 5–12.5 nm. Surface characterization was done using the isothermal BET technique which presents a high surface area that is exhibited by synthesized nanoparticles. Using Kubelka-Munk plot, bandgap was found to be decreasing with the increase of Zn concentration.The synthesized Ni{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4} was studied for its application in photo-Fenton degradation of organic Methylene blue (MB) dye. The synthesized nanocatalyst can bereused further which makes itself a proficient candidate in industrial effluent degradation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Addition of the Lewis Acid Zn(C 6 F 5 ) 2 Enables Organic Transistors with a Maximum Hole Mobility in Excess of 20 cm 2 V –1 s –1

Incorporating the molecular organic Lewis acid tris(pentafluorophenyl)borane [B(C 6 F 5 ) 3 ] into organic semiconductors has shown remarkable promise in recent years for controlling the operating characteristics and performance of various opto/electronic devices, including, light-emitting diodes, solar cells, and organic thin-film transistors (OTFTs). Despite the demonstrated potential, however, to date most of the work has been limited to B(C 6 F 5 ) 3 with the latter serving as the prototypical air-stable molecular Lewis acid system. Herein, the use of bis(pentafluorophenyl)zinc [Zn(C 6 F 5 ) 2 ] is reported as an alternative Lewis acid additive in high-hole-mobility OTFTs based on small-molecule:polymer blends comprising 2,7-dioctyl[1]benzothieno [3,2-b][1]benzothiophene and indacenodithiophene–benzothiadiazole. Systematic analysis of the materials and device characteristics supports the hypothesis that Zn(C 6 F 5 ) 2 acts simultaneously as a p-dopant and a microstructure modifier. It is proposed that it is the combination of these synergistic effects that leads to OTFTs with a maximum hole mobility value of 21.5 cm 2 V –1 s –1 . In conclusion, the work not only highlights Zn(C 6 F 5 ) 2 as a promising new additive for next-generation optoelectronic devices, but also opens up new avenues in the search for high-mobility organic semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography

For this, a new model that keeps all major advantages of the single-particle model of lithium-ion batteries (LIBs) and includes three-dimensional structure of the electrode was developed. Unlike the single spherical particle, this model considers a small volume element of an electrode, called the Representative Volume Element (RVE), which represent the real electrode structure. The advantages of using RVE as the model geometry was demonstrated for a typical LIB electrode consisting of nano-particle LiFePO 4 (LFP) active material. The three-dimensional morphology of the LFP electrode was reconstructed using a synchrotron X-ray nano-computed tomography at the Advanced Photon Source of the Argonne National. A 27 μm 3 cube from reconstructed structure was chosen as the RVE for the simulation purposes. The model was employed to predict the voltage curve in a half-cell during galvanostatic operations and validated with experimental data. The simulation results showed that the distribution of lithium inside the electrode microstructure is very different from the results obtained based on the single-particle model. The range of lithium concentration is found to be much greater, successfully illustrates the effect of microstructure heterogeneity.

25 ENERGY STORAGE↗
DOE OSTI2019

Parameterization of Vertical Profiles of Governing Microphysical Parameters of Shallow Cumulus Cloud Ensembles Using LES with Bin Microphysics

Shallow convection is a subgrid process in cloud-resolving models for which their grid box is larger than the size of small cumulus clouds (Cu). At the same time such Cu substantially affect radiation properties and thermodynamic parameters of the low atmosphere. The main microphysical parameters used for calculation of radiative properties of Cu in cloud-resolving models are liquid water content (LWC), effective droplet radius, and cloud fraction (CF). In this study, these parameters of fields of small, warm Cu are calculated using large-eddy simulations (LESs) performed using the System for Atmospheric Modeling (SAM) with spectral bin microphysics. Despite the complexity of microphysical processes, several fundamental properties of Cu were found. First, despite the high variability of LWC and droplet concentration within clouds and between different clouds, the volume mean and effective radii per specific level vary only slightly. Second, the values of effective radius are close to those forming during adiabatic ascent of air parcels from cloud base. These findings allow for characterization of a cloud field by specific vertical profiles of effective radius and of mean liquid water content, which can be calculated using the theoretical profile of adiabatic liquid water content and the droplet concentration at cloud base. Using the results of these LESs, a simple parameterization of cloud-field-averaged vertical profiles of effective radius and of liquid water content is proposed for different aerosol and thermodynamic conditions. These profiles can be used for calculation of radiation properties of Cu fields in large-scale models. The role of adiabatic processes in the formation of microstructure of Cu is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Operating Stresses and their Effects on Degradation of LSM-Based SOFC Cathodes

The overall goals of the program were: To understand how selected operational parameters affect the performance of solid oxide fuel cells (SOFCs), with a focus on parameters affecting cathodes (air electrodes) comprised of lanthanum strontium manganite (LSM, (La 1-x Sr x ) 1-y MnO 3±δ ) and yttria-stabilized zirconia (YSZ, (Zr 1–z Y z )O 2±δ ). To relate the observed relationships between operational parameters and cell performance to the microstructural changes that can be observed in the cells after operation.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRSDate not supplied

Cathode Modeling of Solid-State Batteries

The search for safe, reliable, and compact high-capacity energy storage devices has led to increased interest in all-solid-state battery research. The use of solid electrolytes provides enhanced safety and durability due to their reduced flammability and increased mechanical strength compared to organic liquid electrolytes. Still, the use of solid electrolytes remains challenging. Computational modeling plays a substantial role in addressing these challenges. A particle dynamics electromechanical model for simulating electrochemical processes in a solid-state battery cathode will be presented. The model presents cathode microstructure at the particle level as a mixture of ionically conductive solid electrolyte particles, electrically conductive carbon additives, and cathodic reactant particles. After densification, the particle connectivity is analyzed to reconstruct the complex electric network connecting reactant particles with an anodic and cathodic current collectors through the electrolyte and carbon particles. The Kirchhoff’s matrix equation describing this electric network, is solved to obtain values of various critical parameters, such as the overall conductivity of the cathode for lithium ions and electrons, cathodic reactant material utilization, and the distribution of the electric current and voltages within the cathode. In addition, by representing the reactant particles as electrolyte or galvanic microcells governed by the Butler-Volmer electrochemical equation, the overall performance of battery cells during charge or discharge processes, respectively, can be predicted for a given cathodic powder composition. The presented model, executed on a high-performance computing architecture, essentially provides a valuable guidance in designing and developing future solid-state batteries.

solid-state battery↗
DOE OSTI2022

Effects of chemical segregation on ductility-anisotropy in high strength Fe-Mn-Al-C lightweight austenitic steels

Ductile Fe-Mn-Al-C lightweight steels offer great potential as high specific strength materials for weight critical applications. In the present work, very high yield (~1 GPa) and ultimate tensile strength levels (~1.5 GPa) were obtained along the rolling and transverse directions of Fe-30Mn-8.5Al-0.9Si-0.9C-0.5Mo (wt.%), with high tensile elongation to failure of ~35%. This excellent mechanical behavior was attributed to the nanoscale, ordered κ-carbide precipitates formed during aging after rolling. However, tensile ductility was not isotropic through all directions of the rolled plate. In particular, the ductility was consistently lower than 5% true strain along the normal direction. Upon detailed microstructural investigations, micro-scale lamellar chemical micro-segregation bands were detected, which caused the observed anisotropic embrittlement along certain plate directions. These bands resulted in low failure strains along the normal direction since it is oriented perpendicular to these chemical segregation bands, resulting in a failure type reminiscent of delamination-induced cleavage fracture. Chemical segregation causes an inhomogeneous κ-carbide precipitate distribution upon aging, producing more pronounced mechanical anisotropy after peak-aging as compared to the solution heat treated samples. Surprisingly, deformation twinning was observed after tensile deformation of solution-heat treated specimens via electron-backscatter diffraction experiments, which is anomalous for a high stacking faulty energy (SFE) material. Further, it was proposed that chemical micro-segregation promotes locally different SFE regions, leading to deformation twinning in this nominally high SFE material. Overall, this work demonstrates the effects of chemical segregation on mechanical properties and microstructural evolution in a high performance, lightweight Fe-Mn-Al-C steel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Phase diagrams and microstructures of aqueous short alkyl chain polyethylene glycol ether carboxylate and carboxylic acid triblock surfactant solutions

The surfactant C 8 Eo 8 CH 2 COOH (Akypo LF2) and its salts have a small hydrophobic and a significantly longer hydrophilic part. As a consequence, there must be a significant steric constraint, once these surfactant molecules form micelles. In addition, the partially charged headgroups should bring some additional fine-tuning via electrostatic interactions to this "essentially non-ionic" surfactant. Experiments: Phase diagrams of binary mixtures of water and C 8 Eo 8 CH 2 COOH are established over large concentration and temperature ranges, also at different pHs and in the presence of sodium and calcium ions. Surface tensions and osmotic pressures are measured to understand the systems. To evaluate the microstructures, also Dynamic Light Scattering and Small-Angle X-ray Scattering are performed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Chemical, Molecular, and Microstructural Evolution of Kerogen during Thermal Maturation: Case Study from the Woodford Shale of Oklahoma

Integrated elemental, spectroscopic (infrared spectroscopy and X-ray absorption near-edge structure), and gas intrusion (helium pycnometry and nitrogen adsorption) analyses are used to characterize the bulk chemical, molecular, and physical microstructures of kerogen spanning a thermal maturity transect (vitrinite reflectance, Ro, from 0.5% to 2.6%) across the Woodford Shale of the Anadarko Basin, Oklahoma. The integration takes advantage of novel procedures to prepare kerogen isolates that preserve both the chemical and physical properties of the organic matter in the bulk shale. The Woodford kerogens follow the expected trends in H/C and O/C coordinates during thermal maturation for type II kerogen. Infrared spectra show that loss of hydrogen from kerogen is related to cracking of hydrogen-rich aliphatic (alkyl) carbon structures from aromatic carbons. Within the range of Ro values < 1.5%, peripheral aromatic carbons remain highly substituted with alkyl (methyl and methylene) and probably heteroatom functional groups. At Ro values > 1.5%, these substitutions are substantially removed and replaced by hydrogen. The evolution of carbon structures inferred from the IR spectra is supported by known carbon bond dissociation energies for carbonaceous materials. Total organic sulfur and sulfur-XANES data show that sulfur in Woodford kerogens is dominated by aromatic sulfur (thiophene) and that reactive, aliphatic sulfur (sulfide) is eliminated at low degrees of thermal stress (Ro ≤ 0.9%). At higher thermal stress, sulfur speciation is stable and dominated by thermally stable thiophene. The physical properties of Woodford kerogens evolve during thermal maturation in a manner consistent with their molecular characteristics. Skeletal density of kerogen increases during maturation in a manner that is linearly correlated to its atomic H/C ratio and inferred aromatic carbon content. The specific surface area of kerogen also increases during maturation, reflecting the development of internal pores within the kerogen skeletal framework as aliphatic carbon structures are preferentially cracked and expelled from solid kerogen. The quantitative chemical and structural changes expressed by the Woodford kerogens during thermal maturation, including their hydrogen and carbon content, carbon speciation, and skeletal density, are shown by comparison to not be measurably different for other type II kerogens from numerous oil- and gas-producing shale plays, indicating that thermal stress acts to drive maturation of type II kerogen in a similar way globally.

58 GEOSCIENCES↗
NASA NTRS2001

Solidification Processing of Immiscible Liquids in the Presence of Applied Ultrasonic Energy

Uniform microstructural distribution during solidification of immiscible liquids (e.g., oil and water; aluminum and lead) on Earth is hampered by inherent density differences between the phases. Microgravity processing minimizes settling but segregation still occurs due to gravity independent wetting and coalescence phenomena. Experiments with the transparent organic, metal analogue, succinonitrile-glycerol system were conducted in conjunction with applied ultrasonic energy. The processing parameters associated with this technique have been evaluated in view of optimizing dispersion uniformity. Characterization of the experimental results in terms of a modeling effort will also be presented,

Grugel, R. N.↗
DOE OSTI2024

Creating microfluidic channels functionalized with micro- and nano-scale features via femtosecond laser surface processing

We demonstrate the ability to create functionalized microfluidic channels using femtosecond laser surface processing (FLSP). FLSP is an emerging advanced manufacturing technology used to modify the surface properties of materials directly and permanently by producing self-organized quasi-periodic micro- and nano-scale surface features along with surface and subsurface chemical and grain structure changes. We demonstrate on Hastelloy X that by controlling the laser fluence and pulse count, the depth of the microchannels and height of the FLSP microstructures within the microchannels can be controlled independently.

Ultrashort pulse laser applications, micro- and na↗
NASA NTRS2005

Supernova olivine from cometary dust

An interplanetary dust particle contains a submicrometer crystalline silicate aggregate of probable supernova origin. The grain has a pronounced enrichment in 18O/16O (13 times the solar value) and depletions in 17O/16O (one-third solar) and 29Si/28Si (<0.8 times solar), indicative of formation from a type II supernova. The aggregate contains olivine (forsterite 83) grains <100 nanometers in size, with microstructures that are consistent with minimal thermal alteration. This unusually iron-rich olivine grain could have formed by equilibrium condensation from cooling supernova ejecta if several different nucleosynthetic zones mixed in the proper proportions. The supernova grain is also partially encased in nitrogen-15-rich organic matter that likely formed in a presolar cold molecular cloud.

Iron Compounds/analysis↗
DOE OSTI2021

Interplay between microstructure, defect states, and mobile charge generation in transition metal dichalcogenide heterojunctions

Two-dimensional transition metal dichalcogenides (2D-TMDCs) have gained attention for their promise in next-generation energy-harvesting and quantum computing technologies, but realizing these technologies requires a greater understanding of TMDC properties that influence their photophysics. To this end, we discuss here the interplay between TMDC microstructure and defects with the charge generation yield, lifetime, and mobility. As a model system, we compare monolayer-only and monolayer-rich MoS 2 grown by chemical vapor deposition, and we employ the TMDCs in Type-II charge-separating heterojunctions with semiconducting single-walled carbon nanotubes (s-SWCNTs). Our results suggest longer lifetimes and higher yields of mobile carriers in samples containing a small fraction of defect-rich multilayer islands on predominately monolayer MoS 2 . Compared to the monolayer-only heterojunctions, the carrier lifetimes increase from 0.73 μs to 4.71 μs, the hole transfer yield increases from 23% to 34%, and the electron transfer yield increases from 39% to 59%. We reach these conclusions using a unique combination of microwave photoconductivity (which probes only mobile carriers) along with transient absorption spectroscopy (which identifies spectral signatures unique to each material and type of photoexcited quasiparticle, but does not probe mobility). Overall, our results highlight the substantial changes in photophysics that can occur from small changes in TMDC microstructure and defect density, where the presence of defects does not necessarily preclude improvements in charge generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

T cell activation and immune synapse organization respond to the microscale mechanics of structured surfaces

Cells have the remarkable ability to sense the mechanical stiffness of their surroundings. This has been studied extensively in the context of cells interacting with planar surfaces, a conceptually elegant model that also has application in biomaterial design. However, physiological interfaces are spatially complex, exhibiting topographical features that are described over multiple scales. This report explores mechanosensing of microstructured elastomer surfaces by CD4 + T cells, key mediators of the adaptive immune response. We show that T cells form complex interactions with elastomer micropillar arrays, extending processes into spaces between structures and forming local areas of contraction and expansion dictated by the layout of microtubules within this interface. Conversely, cytoskeletal reorganization and intracellular signaling are sensitive to the pillar dimensions and flexibility. Unexpectedly, these measures show different responses to substrate rigidity, suggesting competing processes in overall T cell mechanosensing. The results of this study demonstrate that T cells sense the local rigidity of their environment, leading to strategies for biomaterial design.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Development of Methods of Characterizing Coal in Its Plastic State

Coal in its plastic state (typically 400-460 C) was examined by the isothermal Gieseler plastometry of seven selected coals of widely varying plastic properties. Kinetic models were proposed for the isothermal plastometric curves. Plastic behavior was compared with a variety of laboratory analyses and characterizations of these coals, including classical coal analysis; mineral analysis; microstructural analysis (extractable fractions, surface area measurement, and petrographic analysis); and thermal analysis (thermogravimetric analysis, thermomechanical analysis, and differential scanning calorimetry). The phenomenon of a sharp, large, poorly reproducible exotherm in the differential scanning calorimetric analysis of coking coals was examined. Several coal extrudates show mineral distribution, organic maceral composition and overall calorific value to be little affected by 800 F extrusion. Volatile matter and plastic properties are moderately reduced, and the network structure (as gauged by extractables) appears to be slightly degraded in the extrusion process.

Lloyd, W. G.↗