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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

MSL SAM-Like Evolved Gas Analyses of Si-rich Amorphous Materials

Chemical and mineralogical analyses of several samples from Murray Formation mudstones and Stimson Formation sandstones by the Mars Science Laboratory (MSL) revealed the presence of Si-rich amorphous or poorly ordered materials. It is possible to identify the presence of high-SiO2 vs. lower SiO2 amorphous materials (e.g., basaltic glasses), based on the position of the resulting wide diffraction features in XRD patterns from the Chemistry and Mineralogy (CheMin) instrument, but it is not possible to distinguish between several candidate high-SiO2 amorphous materials such as opal-A or rhyolitic glass. In the Buckskin (BS) sample from the upper Murray Formation, and the Big Sky (BY) and Greenhorn (GH) samples from the Stimson Formation, analyses by the Sample Analysis at Mars (SAM) instrument showed very broad H2O evolutions during sample heating at temperatures >450-500degC which had not been observed from previous samples. BS also had a significant broad evolution <450-500degC. We have undertaken a laboratory study targeted at understanding if the data from SAM can be used to place constraints on the nature of the amorphous phases. SAM-like evolved gas analyses have been performed on several opal and rhyolitic glass samples. Opal-A samples exhibited wide <500degC H2O evolutions, with lesser H2O evolved above ~500degC. H2O evolution traces from rhyolitic glasses varied, having either two broad H2O peaks, <300degC and >500degC, or a broad peak centered around 400degC. For samples that produced two evolutions, the lower temperature peak is more intense than the higher temperature peak, a trend also exhibited by opal-A. This trend is consistent with data from BS, but does not seem consistent with data from BY and GH which evolved most of their H2O >500degC. It may be that dehydration of opal-A and/or rhyolitic glass can result in some preferential loss of lower temperature H2O, to produce traces that more closely resemble BY and GH. This is currently under investigation and results will be reported.

McAdam, Amy↗
DOE OSTI2023

Fluctuation cepstral scanning transmission electron microscopy of mixed-phase amorphous materials

Four-dimensional scanning transmission electron microscopy (4D-STEM) is a versatile analytical tool for characterizing materials structural properties. However, extending such analysis to disordered materials is challenging, especially in technologically important samples with mixed ordered and disordered phases. Here, in this work, we present a new 4D-STEM method, called fluctuation cepstral STEM (FC-STEM), based on the fluctuation analysis of cepstral transform of diffraction patterns. The peaks in the associated transformation relate to inter-atomic distances in a thin sample. By varying the real-space range over which fluctuations are calculated, distinct ordered and disordered phases can be mapped in a diffractive image reconstruction. We demonstrate the principles of FC-STEM by characterizing a silicon anode, harvested from a cycled lithium-ion battery. A mixture of amorphous and nanocrystalline silicon, graphitic carbon, and electrolyte by-products is identified and mapped. Comparisons with conventional electron imaging and energy-dispersive X-ray spectroscopy show that FC-STEM is highly effective for the structure determination of mixed-phase amorphous materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

New developments in structure-property and amorphous materials research at the upgraded 16-BM-B Paris-Edinburgh press station at HPCAT

Beamline 16-BM-B of the High-Pressure Collaborative Access Team (HPCAT) at the Advanced Photon Source (APS) provides a Paris-Edinburgh press program to probe the structure and properties of crystalline and amorphous materials up to 12 GPa at room temperature or 7 GPa at 2000°C. During the recent APS upgrade, 16-BM-B undertook major improvements to its instrumentation and measurement techniques. The upgrade includes the addition of a 1.2 m horizontal “condenser” mirror and a new variable-sized collimation system, the combination of which decreases the acquisition time for energy dispersive X-ray diffraction measurements by a factor of 10 when compared to pre-upgrade measurements. The addition of a new Ge energy-sensitive detector and DANTE (XGLab) digital pulse processor allows for processing the increased diffraction counts with minimal deadtime. In addition to upgraded beamline components, new techniques are being developed for eventual release to the user community, including electrical resistivity and tomography measurements.

APS upgrade↗
DOE OSTI2026

Atomistic Simulation of Glasses and Amorphous Materials: Challenges and Opportunities for the Next Decade

Atomistic simulations have become indispensable tools for understanding glass structure, dynamics, and properties, yet persistent challenges limit their predictive power. This perspective examines three interconnected issues, namely glass formation procedures, interatomic potential development, and machine learning applications, which emerged from the 5th International Workshop on Challenges of Atomistic Simulations of Glasses and Amorphous Materials. We identify convergent community priorities for (i) standardized validation protocols, (ii) curated benchmark datasets with complete metadata, and (iii) open repositories for glasses. A systematic was forward is provided by a hierarchical validation framework for assessing the structural fidelity, property prediction, and behavioral realism of simulation techniques. Looking ahead, transformative advances are promised by the fusion of classical techniques with machine learning based approaches, for instance, by integrating swap Monte Carlo with machine-learning (ML) potentials, leveraging foundation models through transfer learning, and finetuning ML potentials with experimental data. Progress depends on the community committing to validated models, reproducible protocols, and sustained data sharing.

Krishnan, N. M. Anoop↗
NASA NTRSDate not supplied

High Resolution Imaging and Analysis of Terrestrial Impact Glass: Amorphous Materials, Phyllosilicates and Everything in Between

Introduction: Impact cratering is one of the most ubiquitous geologic processes shaping the surface of all solid bodies in our solar system. Impacts are also a major source of clay minerals, poorly crystalline clay-like phases and amorphous (i.e., lacking long-range atomic order) materials on Earth and Mars. Phyllosilicates and amorphous materials have consistently formed a major component (~20-70 wt%) of every single drilled rock and soil sample in Gale Crater on Mars, as determined by the CheMin instrument on Curiosity. The origin of the amorphous component is speculative, but could be primary impact or volcanic-produced glass(es) deposited via aeolian or fluvial processes, secondary aqueous alteration products or chemical precipitates; it is likely to be a combination of all three possibilities. Efforts to determine the composition of these materials across the rover’s traverse through Gale Crater are ongoing. Naturally occurring amorphous phases are found in a variety of environments on Earth, and terrestrial analogue studies may help shed light on how they may have formed on Mars. Primary and altered impact glass are likely widespread on Mars and may have contributed to the amorphous component found throughout Gale Crater. In its pristine, unaltered state, impact glass (i.e., melt glass) is considered amorphous. However, truly unaltered glass is rarely preserved in crater fill impactites as it quickly alters in the post-impact environ-ment, commonly forming a mixture of hydrated aluminosilicate phases whose structures are not always discernable at the microscale (i.e., they may be amorphous or contain short-range order). These phases are part of an incredibly complex group of materials; differences in their composition and crystalline structure (or lack thereof) and genetic relationship to the more well-crystalline clay minerals are often only discernable at the nanoscale, beyond the resolution of traditional X-ray diffractometers (XRD) and scanning electron microscopes/microprobes (SEM/EPMA) alone. In this contribution, we summarize recent results from ongoing characterization of clay minerals, poorly crystalline clay-like phases, and amorphous materials preserved in altered terrestrial impact glass from the Chicxulub (~66 Ma) and Ries (~15 Ma) impact structures. This work has been performed using a combination of high-resolution transmission electron microscopy (HR-TEM), SEM, microprobe/EPMA, Raman spectroscopy and XRD.

Impact crater↗
DOE OSTI2023

Structure of amorphous materials in the NASICON system Na 1+x Ti 2 Si x P 3−x O 12

Abstract The structure of glasses in the sodium (Na) super-ionic conductor (NASICON) system Na 1 + x Ti 2 Si x P 3 − x O 12 with x = 0.8 and x = 1.0 was explored by combining neutron and high-energy x-ray diffraction with 29 Si, 31 P and 23 Na solid-state nuclear magnetic resonance (NMR) spectroscopy. The 29 Si magic angle spinning (MAS) NMR spectra reveal that the silica component remains fully polymerized in the form of Si 4 units, i.e. the silicon atoms are bound to four bridging oxygen atoms. The 31 P{ 23 Na} rotational echo adiabatic passage double resonance (REAPDOR) NMR data suggest that the 31 P MAS NMR line shape originates from four-coordinated P n units, where n = 1, 2 or 3 is the number of bridging oxygen atoms per phosphorus atom. These sites differ in their 31 P- 23 Na dipolar coupling strengths. The results support an intermediate range order scenario of a phosphosilicate mixed network-former glass in which the phosphate groups selectively attract the Na + modifier ions. Titanium takes a sub-octahedral coordination environment with a mean Ti–O coordination number of 5.17(4) for x = 0.8 and 4.86(4) for x = 1.0. A mismatch between the P–O and Si–O bond lengths of 8% is likely to inhibit the incorporation of silicon into the phosphorus sites of the NASICON crystal structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2004

Microcrystals and Amorphous Material in Comets and Primitive Meteorites: Keys to Understanding Processes in the Early Solar System

Comets, fine-grained matrices of chondrites, and chondritic interplanetary dust particles (IDPs) are each composed of both crystalline and amorphous silicates. The primitive solar nebula, in which comets and asteroids accreted, was formed from the collapsed core of a Giant Molecular Cloud, that, in turn, condensed from materials present in the interstellar medium (ISM). Despite observations that reveal the presence of crystalline magnesium silicate minerals in the shells of very high mass-loss-rate stars [1,2], typical silicate grains in the ISM are most likely to be amorphous, given their relatively long residence time in such a high radiation environment. An upper limit of ~3% crystalline grains can be derived from their non-detection in spectra of ISM solids [3]. If the vast majority of grains that enter the primitive solar nebula are amorphous, then the observation of crystalline dust in comets and primitive chondrite matrices indicates the action of specific processes required to transform the amorphous starting materials into the crystals that are observed.

Nuth, J. A.↗
NASA NTRS2021

Dissolution Rates of Allophane with Variable Fe Contents: Implications for Aqueous Alteration and the Preservation of X-ray Amorphous Materials on Mars

Recent measurements from Mars document X-ray amorphous/nano-crystalline materials in multiple locations across the planet. However, despite their prevalence, little is known about these materials or what their presence implies for the history of Mars. The X-ray amorphous component of the martian soil in Gale crater has an X-ray diffraction pattern that can be partially fit with allophane (approximately Al2O3•(SiO2)1.3-2•(H2O)2.5-3), and the low-temperature water release data are consistent with allophane. The chemical data from Gale crater suggest that other silicate materials similar to allophane, such as Fe-substituted allophane (approximately (Fe2O3)0.01-0.5(Al2O3)0.5-0.99•(SiO2)2•3H2O), may also be present. In order to investigate the properties of these potential poorly crystalline components of the martian soil, Fe-free allophane (Fe:Al = 0), Fe-poor allophane (Fe:Al = 1:99), and Fe-rich allophane (Fe:Al = 1:1) were synthesized and then characterized using electron microscopy and Mars-relevant techniques, including infrared spectroscopy, X-ray diffraction, and evolved gas analysis. Dissolution experiments were performed at acidic (initial pH values pH0 = 3.01, pH0 = 5.04), near-neutral (pH0 = 6.99), and alkaline (pH0 = 10.4) conditions in order to determine dissolution kinetics and alteration phases for these poorly crystalline materials. Dissolution rates (rdiss), based on the rate of Si release into solution, show that these poorly crystalline materials dissolve approximately an order of magnitude faster than crystalline phases with similar compositions at all pH conditions. For Fe-free allophane, logrdiss = -10.65 – 0.15 × pH; for Fe-poor allophane, logrdiss = -10.35 – 0.22 × pH; and for Fe-rich allophane, logrdiss = -11.46 – 0.042 × pH at 25°C, where rdiss has the units of mol m-2 s-1. The formation of incipient phyllosilicate-like phases was detected in Fe-free and Fe-rich allophane reacted in aqueous solutions with pH0 = 10.4 (steady-state pH ≈ 8). Mars-analog instrument analyses demonstrate that Fe-free allophane, Fe-poor allophane, and Fe-rich allophane are appropriate analogs for silicate phases in the martian amorphous soil component. Therefore, similar materials on Mars must have had limited interaction with liquid water since their formation. Combined with chemical changes expected from weathering, such as phyllosilicate formation, the rapid alteration of these poorly crystalline materials may be a useful tool for evaluating the extent of aqueous alteration in returned samples of martian soils.

S J Ralston↗
DOE OSTI2020

Electrochemically induced crystallization of amorphous materials in molten MgCl2: boron nitride and hard carbon

A novel and versatile strategy for the amorphous-to-crystalline transformation of boron nitride (BN) with the capability to control the degree of crystallization was developed through an electrochemical pathway using MgCl 2 at low temperature (750 °C). This procedure can be extended to the transformation of amorphous carbon to graphite, which significantly reduces the energy and cost, accelerates the synthesis process and could potentially replace industrial graphite synthesis globally. Therefore, the synthesized graphite exhibits much enhanced electrochemical performance at high charge–discharge rates (5C) compared to commercial synthetic graphite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Fluctuation volume of amorphous materials in the model of delocalized atoms

A concept in accordance with which the formation of a hole in amorphous substance corresponds to delocalization of atom is developed. It is shown that the fractions of fluctuation volume calculated using the viscosity data and the dependence of the glass-transition temperature on the cooling rate of melt are identical at a conventional cooling rate of 3 K/min. The Bartenev equation is applied in the study of oxygen-free glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2005

Magnetic and Electrical Characteristics of Cobalt-Based Amorphous Materials and Comparison to a Permalloy Type Polycrystalline Material

Magnetic component designers are always looking for improved soft magnetic core materials to increase the efficiency, temperature rating and power density of transformers, motors, generators and alternators, and energy density of inductors. In this paper, we report on the experimental investigation of commercially available cobalt-based amorphous alloys which, in their processing, were subjected to two different types of magnetic field anneals: A longitudinal magnetic field anneal or a transverse magnetic field anneal. The longitudinal field annealed material investigated was Metglas 2714A. The electrical and magnetic characteristics of this material were investigated over the frequency range of 1 to 200 kHz and temperature range of 23 to 150 C for both sine and square wave voltage excitation. The specific core loss was lower for the square than the sine wave voltage excitation for the same maximum flux density, frequency and temperature. The transverse magnetic field annealed core materials include Metglas 2714AF and Vacuumschmelze 6025F. These two materials were experimentally characterized over the frequency range of 10 to 200 kHz for sine wave voltage excitation and 23 C only. A comparison of the 2174A to 2714AF found that 2714AF always had lower specific core loss than 2714A for any given magnetic flux density and frequency and the ratio of specific core loss of 2714A to 2714AF was dependent on both magnetic flux density and frequency. A comparison was also made of the 2714A, 2714AF, and 6025F materials to two different tape thicknesses of the polycrystalline Supermalloy material and the results show that 2714AF and 6025F have the lowest specific core loss at 100 kHz over the magnetic flux density range of 0.1 to 0.4 Tesla.

Wieserman, William R.↗
DOE OSTI2017

Detection of magnetic circular dichroism in amorphous materials utilizing a single-crystalline overlayer

Physicists are fascinated with topological defects in solid-state materials, because by breaking the translational symmetry they offer emerging properties that are not present in their parental phases. For example, edge dislocations—the 2π phase-winding topological defects—in antiferromagnetic NiO crystals can exhibit ferromagnetic behaviors. Herein, we study how these defects could give rise to exotic topological orders when they interact with a high energy electron beam. To probe this interaction, we formed a coherent electron nanobeam in a scanning transmission electron microscope and recorded the far-field transmitted patterns as the beam steps through the edge dislocation core in [001] NiO. Surprisingly, we found the amplitude patterns of the <020> Bragg disks evolve in a similar manner to the evolution of an annular solar eclipse. Using the ptychographic technique, we recovered the missing phase information in the diffraction plane and revealed the topological phase vortices in the diffracted beams. Through atomic topological defects, the wave function of electrons can be converted from plane wave to electron vortex. This approach provides a new perspective for boosting the collection efficiency of magnetic circular dichroism spectra with high spatial resolution and understanding the relationship between symmetry breaking and exotic property of individual topological defect at atomic level.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Development of improved amorphous materials for laser systems

Crystallization calculations were performed in order to determine the possibility of forming a particular type of laser glass with the avoidance of devitrification in an outer space laboratory. It was demonstrated that under the homogenuous nucleating conditions obtainable in a zero gravity laboratory this laser glass may be easily quenched to a virtually crystal-free product. Experimental evidence is provided that use of this material as a host in a neodymium glass laser would result in more than a 10 percent increase in efficiency when compared to laser glass rods of a similar composition currently commercially available. Differential thermal analysis, thermal gradient oven, X-ray diffraction, and liquidus determination experiments were carried out to determine the basics of the crystallization behavior of the glass, and small-angle X-ray scattering and splat-cooling experiments were performed in order to provide additional evidence for the feasibility of producing this laser glass material, crystal free, in an outer space environment.

Neilson, G. F.↗
NASA NTRS1995

Mapping minerals, amorphous materials, environmental materials, vegetation, water, ice and snow, and other materials: The USGS tricorder algorithm

One of the challenges of Imaging Spectroscopy is the identification, mapping and abundance determination of materials, whether mineral, vegetable, or liquid, given enough spectral range, spectral resolution, signal to noise, and spatial resolution. Many materials show diagnostic absorption features in the visual and near infrared region (0.4 to 2.5 micrometers) of the spectrum. This region is covered by the modern imaging spectrometers such as AVIRIS. The challenge is to identify the materials from absorption bands in their spectra, and determine what specific analyses must be done to derive particular parameters of interest, ranging from simply identifying its presence to deriving its abundance, or determining specific chemistry of the material. Recently, a new analysis algorithm was developed that uses a digital spectral library of known materials and a fast, modified-least-squares method of determining if a single spectral feature for a given material is present. Clark et al. made another advance in the mapping algorithm: simultaneously mapping multiple minerals using multiple spectral features. This was done by a modified-least-squares fit of spectral features, from data in a digital spectral library, to corresponding spectral features in the image data. This version has now been superseded by a more comprehensive spectral analysis system called Tricorder.

Clark, Roger N.↗