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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Accurate band alignment at the amorphous Al 2 O 3 /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory

Here, we have investigated the band alignment at the interface of amorphous aluminum oxide (am-Al 2 O 3 ) grown by atomic layer deposition on p-Ge(100) and the effects of postgrowth annealing using hard x-ray photoelectron spectroscopy and density function theory (DFT). Accurate determination of the valence-band offsets was obtained by comparing the experimentally measured valence bands with DFT-calculated densities of states. The am-Al 2 O 3 density of states calculated from a weighted ensemble of crystalline Al 2 O 3 structures gives excellent agreement with experiment, sufficiently capturing the nonlinear shape of the valence-band edge. We report a valence-band offset of 2.60 ± 0.1 eV for am-Al 2 O 3 /p-Ge, which is reduced by 0.20 eV upon annealing as interfacial GeOx is formed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Role of atomic coordination on superconducting properties of boron-doped amorphous carbon

We study the effect of atomic coordination (orbital hybridization) on superconducting properties of boron-doped amorphous carbon. The ratio of threefold coordinated (sp 2 -hybridized) and fourfold coordinated (sp 3 -hybridized) atoms in the system is found to have an impact on their electronic, vibrational, and superconducting properties. Our findings show that a high proportion of fourfold coordination in both carbon and boron atoms is important for realizing a high superconducting transition temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Unveiling the mechanism of phase and morphology selections during the devitrification of Al-Sm amorphous ribbon

The complex interplay between energetic and kinetic factors that governs the phase and morphology selections can originate at the earliest stage of crystallization in the amorphous parent phases. Because of the extreme difficulties in capturing the microscopic nucleation process, a detailed picture of how initial disordered structures affect the transformation pathway remains unclear. Here, we report the experimental observation of widely varying phase selection and grain size evolution during the devitrification of a homogeneous melt-spun glassy ribbon. Two different crystalline phases, θ-Al 5 Sm and ε-Al 60 Sm 11 , are found to form in the different regions of the same metallic glass ribbon during the devitrification. The grain size of ε-Al 60 Sm 11 phase shows a strong spatial heterogeneity. Coarse-grained ε-Al 60 Sm 11 phase coupled with the small volume fraction of θ-Al 5 Sm phase is preferably formed close to wheel side of the melt-spun ribbon. Combining experimental characterization and computational simulations, we show that phase selection and microstructure evolution can be traced back to different types and populations of atomic clusters that serve as precursors for the nucleation of different crystalline phases. Inhomogeneous cooling rates cause different structure orders across the glass sample during the quenching process. Our findings provide direct insight into the effect of structural order on the crystallization pathways during the devitrification of metallic glass. It also opens an avenue to study the detailed nucleation process at the atomic level using the metallic glass as a platform and suggests the opportunity of microstructure and property design via controlling the cooling process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Persistent Octahedral Coordination in Amorphous GeO 2 Up to 100 GPa by K β ' ' X-Ray Emission Spectroscopy

We measure valence-to-core x-ray emission spectra of compressed crystalline GeO 2 up to 56 GPa and of amorphous GeO 2 up to 100 GPa. In a novel approach, we extract the Ge coordination number and mean Ge-O distances from the emission energy and the intensity of the Kβ" emission line. Here, the spectra of high-pressure polymorphs are calculated using the Bethe-Salpeter equation. Trends observed in the experimental and calculated spectra are found to match only when utilizing an octahedral model. The results reveal persistent octahedral Ge coordination with increasing distortion, similar to the compaction mechanism in the sequence of octahedrally coordinated crystalline GeO 2 high-pressure polymorphs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Flux Switching Permanent Magnet Motor with Metal Amorphous Nanocomposite Soft Magnetic Material and Rare Earth Free Permanent Magnets

The power losses in high power-density motors due to high rotational speed and/or high pole counts may be reduced adopting metal amorphous nanocomposites (MANCs) featuring low power loss and a relatively high flux density (~1.3 T). We recently proposed a flux switching permanent magnet (FSPM) motor with a rating of 2.5 kW at 1400 Hz electrical speed by incorporating low loss (< 3 W/kg at 1 kHz) FeNi-based MANC material with projected iron loss of about 5 W. The motor design allows use of rare earth-free permanent magnets. For incorporation of MANC materials, an axial flux motor where the rotor and stator core are made from a wound ribbon core has been developed. We have performed a 3-d FEA to optimize the design and built and tested a prototype demonstrating that the low loss MANC material can be used for motor applications.

33 ADVANCED PROPULSION SYSTEMS↗
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↗
DOE OSTI2018

Synthesis of Porous Composite Materials via Combustion of a Mixture of Titanium, VT6 Alloy, and Amorphous Boron Powders

Self-propagating high-temperature synthesis without preheating has been realized in powder mixtures consisting of large spherical VT6 titanium alloy granules, small dendritic titanium particles, and black amorphous boron. Synthesis in a combustion wave involved a few steps: first, boron reacted with fine-particle titanium to form a boride matrix, which then reacted with molten VT6 titanium alloy granules. We have obtained a porous metal–ceramic material similar in structure to composites.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Structural Transformations of Amorphous Carbon (Glassy Carbon) at High Shock Pressures

Amorphous carbon (glassy carbon) samples were shock compressed up to 80 GPa and temperatures up to 1700 K for several microseconds. Glassy carbon samples before and after an explosive action are analyzed by X-ray diffraction, electron microscopy, and electron-probe microanalysis. It is shown that as a result of microsecond shock pressure exposure, glassy carbon is compacted to ρ{sub CG} ≈ 2.3(5) g/cm{sup 3} and is partly transformed into a graphite-like nanomaterial with a cellular structure. At the level of crystallites, the density of glassy carbon increases via a decrease in the interplanar spacings and an increase in the crystallite thickness and width. Spheres from 20 nm to 80 μm in diameter are found to be formed during shock-wave compression of glassy carbon in a copper container and high-temperature shock heating posteffects. Spheres 20 μm in diameter consist of a copper-rich core and a carbon shell.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Role of the Cluster Structure of Amorphous Fe{sub 67}Cr{sub 18}B{sub 15} Alloy in Magnetism and in the Changing of Electron Scattering Mechanisms under the Influence of Ion (Ar{sup +}) Irradiation

The contribution of clusters of different sizes to magnetism and the switching of electron scattering mechanisms in amorphous Fe{sub 67}Cr{sub 18}B{sub 15} alloy during ion Ar{sup +} irradiation is studied. The cluster magnetism is found to be related to the presence of clusters of the following two types: large α-(Fe, Cr) clusters of size D = 150–250 Å and small (D = 40–80 Å) clusters in a random intercluster medium. The generation of small ferromagnetic and antiferromagnetic clusters during ion irradiation leads to the formation of cluster glass, which affects the electrical properties of the alloy and causes a magnetic frustration. The temperature dependence of the barrier height is shown to characterize the magnetic state of the alloy in low fields. On the whole, the temperature dependence of the order parameter is a universal characteristic of the system. The temperature dependence of resistivity of initial alloys in the temperature range 98–300 K (ρ(T) ∝ T{sup 2}) is determined by electron scattering by quantum defects, and the transition into a ferromagnetic state is revealed when the derivative ∂ρ/∂T ∝ T is analyzed. The increase in resistivity and the relation ρ ∝ T{sup 1/2} in strongly inhomogeneous samples after irradiation at a dose Φ = 1.5 × 10{sup 18} ions/cm{sup 2} are caused by weak localization effects, and the transition to a ferromagnetic state becomes obvious when the derivative ∂ρ/∂T ∝ T{sup –1/2} is considered. Irradiation by fluence Φ = 3 × 10{sup 18} ions/cm2 induces a giant (twofold) increase in the alloy density, restores the ferromagnetism of large clusters, decreases the resistivity by 37%, and restores the relation ρ(T) ∝ T{sup 2}, which results from the overlapping of the irradiation-induced small clusters when their concentration increases and from an increase in the alloy density. The overlapping of clusters lowers the barrier height and decreases the sensitivity of the alloy to an applied field. The relation ρ(T) ∝ T{sup 2} is valid for the entire temperature range T = 2–300 K because of the partial screening of the magnetic moments of large clusters by a medium having the properties of cluster glass.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Crystallization of Amorphous Germanium Films and Multilayer a-Ge/a-Si Structures upon Exposure to Nanosecond Laser Radiation

The processes of the crystallization of amorphous germanium films and multilayer germanium/silicon structures upon exposure to nanosecond (70 ns) ruby laser radiation (λ = 694 nm) are studied. The samples are grown on silicon and glassy substrates by plasma-enhanced chemical vapor deposition. Pulsed laser annealing of the samples is conducted in the range of pulse energy densities E{sub p} from 0.07 to 0.8 J cm{sup –2}. The structure of the films after annealing is determined by analyzing the scanning electron microscopy data and Raman spectra. It is established that, after annealing, the films are completely crystallized and, in this case, contain regions of coarse crystalline grains (>100 nm), whose fraction increases, as E{sub p} is increased, and reaches 40% of the area. From analysis of the position of the Raman peaks, it is conceived that the crystalline grains, whose dimensions exceed 100 nm, either contain structural defects or stretching strains. The correlation length of optical vibrations is determined from the phonon confinement model and found to increase from 5 to 8 nm, as E{sub p} is increased. Pulsed laser annealing of multilayer Ge(10 nm)/Si(5 nm) structures induces partial intermixing of the layers with the formation of Ge–Si alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Influence of Current Annealing on the Temperature Dependences of Magnetoimpedance in Amorphous Microwires

Further miniaturization of magnetic electron devices and devices of microsystem engineering in many ways depends on the optimal choice of functional materials (media) used in working bodies, specifically, sensory elements (for example, in local magnetic field sensors, mechanical stress/strain sensors, temperature sensors, etc.). Among promising materials in this respect are ferromagnetic wires consisting of a glass-coated amorphous alloy filament. The magnetoimpedance of such filaments turns out to be highly sensitive to the above external factors: the so-called giant magnetoimpedance effect. The performance of these devices is highly temperature stable, which is important for many applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Synthesis of Highly Oriented Zinc-Oxide Films on Amorphous Substrates by the Method of Direct-Current Magnetron Sputtering

We describe the technology of obtaining highly oriented zinc-oxide (ZnO) films on amorphous substrates at high growth rates (up to 7 nm/s) by means of direct-current magnetron sputtering. It is suggested to optimize the substrate position with respect to magnetron and consider the floating potential to which the substrate is charged in magnetron discharge plasma as one of the main technological parameters. Electrondiffraction study of the structural characteristics of the obtained ZnO films showed that increase in the substrate temperature was accompanied by transformation of the crystallite shape from platelike to columnar.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Investigation of the electrical conduction mechanisms in P-type amorphous germanium electrical contacts for germanium detectors in searching for rare-event physics

For the first time, electrical conduction mechanisms in the disordered material system is experimentally studied for p-type amorphous germanium (a-Ge) used for high-purity Ge detector contacts. The localization length and the hopping parameters in a-Ge are determined using the surface leakage current measured from three high-purity planar Ge detectors. The temperature dependent hopping distance and hopping energy are obtained for a-Ge fabricated as the electrical contact materials for high-purity Ge planar detectors. As a result, we find that the hopping energy in a-Ge increases as temperature increases while the hopping distance in a-Ge decreases as temperature increases. The localization length of a-Ge is on the order of 2.13$^{-0.05}_{+0.07}$A° to 5.07$^{0.83}_{+2.58}$A°,depending on the density of states near the Fermi energy level within bandgap. Using these parameters, we predict that the surface leakage current from a Ge detector with a-Ge contacts can be much smaller than one yocto amp (yA) at helium temperature, suitable for rare-event physics searches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

The impact of the charge barrier height on Germanium (Ge) detectors with amorphous-Ge contacts for light dark matter searches

Germanium (Ge) detectors with ability of measuring a single electron–hole (e–h) pair are needed in searching for light dark matter (LDM) down to the MeV scale. We investigate the feasibility of Ge detectors with amorphous-Ge (a-Ge) contacts to achieve the sensitivity of measuring a single e-h pair, which requires extremely low leakage current. Three Ge detectors with a-Ge contacts are used to study the charge barrier height for blocking electrons and holes. Using the measured bulk leakage current and the Döhler–Brodsky model, we obtain the values for charge barrier height and the density of localized energy states near the Fermi energy level for the top and bottom contacts, respectively. We predict that the bulk leakage current is extremely small and can be neglected at helium temperature ( $$\sim $$ ~ 4 K). Thus, Ge detectors with a-Ge contacts possess the potential to measure a single e–h pair for detecting LDM particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Amorphous boron nitride: synthesis, properties and device application

Amorphous boron nitride (a-BN) exhibits remarkable electrical, optical, and chemical properties, alongside robust mechanical stability, making it a compelling material for advanced applications in nanoelectronics and photonics. This review comprehensively examines the unique characteristics of a-BN, emphasizing its electrical and optical attributes, state-of-the-art synthesis techniques, and device applications. Key advancements in low-temperature growth methods for a-BN are highlighted, offering insights into their potential for integration into scalable, CMOS-compatible platforms. Additionally, the review discusses the emerging role of a-BN as a dielectric material in electronic and photonic devices, serving as substrates, encapsulation layers, and gate insulators. Finally, perspectives on future challenges, including defect control, interface engineering, and scalability, are presented, providing a roadmap for realizing the full potential of a-BN in next-generation device technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Amorphous silicon carbide high contrast gratings as highly efficient spectrally selective visible reflectors

We report spectrally selective visible wavelength reflectors using hydrogenated amorphous silicon carbide (a-SiC:H) as a high index contrast material. Beyond 610nm and through the near infrared spectrum, a-SiC:H exhibits very low loss and exhibits an wavelength averaged index of refraction of n = 3.1. Here we design, fabricate, and characterize such visible reflectors using a hexagonal array of a-SiC:H nanopillars as wavelength-selective mirrors with a stop-band of approximately 40 nm full-width at half maximum. The fabricated high contrast grating exhibits reflectivity R >94% at a resonance wavelength of 642nm with a single layer of a-SiC:H nanopillars. The resonance wavelength is tunable by adjusting the geometrical parameters of the a-SiC:H nanopillar array, and we observe a stop-band spectral center shift from 635 nm up to 642 nm. High contrast gratings formed from a-SiC:H nanopillars are a promising platform for various visible wavelength nanophotonics applications.

Bauser, Haley C.↗
DOE OSTI2026

Alginate–Amorphous Calcium Carbonate Hydrogels for Controlled Therapeutic Release

Alginate hydrogels are widely explored as biocompatible matrices for transdermal delivery of therapeutic compounds but burst release and mechanical stability remain persistent challenges in drug delivery systems. This experimental study investigated alginate–amorphous calcium carbonate (ACC) hydrogel composites designed to regulate release of model anti-inflammatory compound, ibuprofen. Hydrogels containing 1.6–2.0 wt% sodium alginate were crosslinked with CaCl₂ and combined with ACC through two incorporation pathways: (i) separate addition of ACC and ibuprofen or (ii) co-precipitation of ACC onto ibuprofen prior to hydrogel incorporation. Hydrogels without ACC served as Control. Biocomposite structure and properties were characterized and release profiles quantified using Korsmeyer–Peppas (KP) model.Burst release was curbed as crosslinking time increased, highlighting importance of network density in diffusion control. Co-precipitating ACC with ibuprofen prior to incorporating into the hydrogel suppressed burst release and sustained release for > ~72 h. Rheological measurements indicate ACC reinforces hydrogel network, increasing storage modulus while maintaining hydration and flexibility. KP model indicates release is diffusion-controlled, with deviations reflecting contributions from diffusion barriers and morphologic/structural changes near the ACC coated ibuprofen. ACC within alginate hydrogels provides a strategy for tuning drug release while preserving mechanical properties relevant to transdermal applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Surface Oxidation Behavior of FeNi-based Metal Amorphous Nanocomposite (MANC) Alloys for High-Speed Motor Applications

New interest in high performance soft magnetic materials (SMMs) have been fueled by the need to lower losses at higher operating frequencies while maintaining high flux density and tunable permeability in electrical motors, transformer, and generator applications. Conventional SMMs like electrical steels and Fe-based metal amorphous nanocomposite (MANC) alloys are dominated by eddy current losses at high frequencies. Recent breakthrough in high-performance FeNi MANC have shown promise in reducing eddy current losses as compared to electrical steels. Their intrinsic adherent native surface oxide layer provides sufficient electrical insulation to reduce interlaminate eddy current losses. However, notwithstanding advances in MANCs, there exists a gap in literature on investigations of the surface oxide layer responsible for significant reduction of interlaminate eddy current losses in magnetic cores. This work presents a detailed characterization of the surface oxide, oxidation behavior, and relationship between oxide thickness and resistivity of a new FeNi MANC alloy (Fe70Ni30)80Nb4B14Si2.

Egbu, James↗