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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Amorphous Metallic NiFeP: A Conductive Bulk Material Achieving High Activity for Oxygen Evolution Reaction in Both Alkaline and Acidic Media

Here, the intrinsic catalytic activity at 10 mA cm –2 for oxygen evolution reaction (OER) is currently working out at overpotentials higher than 320 mV. A highly efficient electrocatalyst should possess both active sites and high conductivity; however, the loading of powder catalysts on electrodes may often suffer from the large resistance between catalysts and current collectors. This work reports a class of bulk amorphous NiFeP materials with metallic bonds from the viewpoint of electrode design. The materials reported here perfectly combine high macroscopic conductivity with surface active sites, and can be directly used as the electrodes with active sites toward high OER activity in both alkaline and acidic electrolytes. Specifically, a low overpotential of 219 mV is achieved at the geometric current density 10 mA cm –2 in an alkaline electrolyte, with the Tafel slope of 32 mV dec –1 and intrinsic overpotential of 280 mV. Meanwhile, an overpotential of 540 mV at 10 mA cm –2 is attained in an acidic electrolyte and stable for over 30 h, which is the best OER performance in both alkaline and acidic media. This work provides a different angle for the design of high–performance OER electrocatalysts and facilitates the device applications of electrocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deep Optical Switching on Subpicosecond Timescales in an Amorphous Ge Metamaterial

Active nanostructured optical components show promise as potential building blocks for novel light-based computing and data processing architectures. However, nanoscale all-optical switches that have low activation powers and high-contrast ultrafast switching have been elusive so far. Here, pump–probe measurements performed on amorphous-Ge-based micro-resonator metasurfaces that exhibit strong resonant modes in the mid-infrared are reported. Relative change is observed in transmittance of ΔT/T ≈ 1 with picosecond (down to τ ≈ 0.5 ps) free carrier relaxation rates, obtained with very low pump fluences of 50 μJ cm –2 . In this work, these observations are attributed to efficient free carrier promotion, affecting light transmittance via high quality-factor optical resonances, followed by an increased electron–phonon scattering of free carriers due to the amorphous crystal structure of Ge. Full-wave simulations based on a permittivity model that describes free-carrier damping through crystal structure disorder find excellent agreement with the experimental data. These findings offer an efficient and robust platform for all-optical switching at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Optical measure of disorder: Why Urbach analysis works for amorphous silicon but fails for amorphous carbon

We investigate the basis for the Paradox where the Urbach-slope disorder parameter disagrees with the Raman width in amorphous diamond-like carbon (DLC) materials (lower Urbach-Eo yet greater Raman width). We examined the bandgap and Urbach-slope measurement issues. While significant errors are identified, ultimately these cannot resolve the Paradox. This resolution involves large changes in shape of DLC's absorption band resulting from large energy shifts. To solidify the understanding of band energy shifts, we examined their properties using a-Si:H, well known for its agreement between Raman and Urbach-slope disorder parameters. Using Tauc-Lorentz (T-L) dispersion functions, the Urbach method works for a-Si:H because small changes in shape occur, as measured by (i) peak position, (ii) peak width, (iii) peak amplitude, and (iv) and gap energies. Moreover, for a-Si:H, a 5th condition (v) there is no other feature below the principal band to interfere with its fall. All 5 of these conditions fail for DLCs. Because T-L dispersions accommodate asymmetry, we traced the Paradox to a steepening of the band shape as it pushes toward lower energy. This steepening is unrelated to disorder, but to a boundary value problem where energy cannot be negative. We conclude that Urbach analysis is invalid for DLC materials, but the T-L width is a good measure instead. We also examined another disorder measure, where π bonds should be considered as disorder relative to the σ bonds in an idealized “amorphous diamond” sp 3 network: superconvergence can be used to quantify these π transitions. Finally, further molecular orbital calculations are needed to properly interpret the changes in T-L widths.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Surface and bulk crystallization of amorphous solid water films: Confirmation of “top-down” crystallization

The crystallization kinetics of nanoscale amorphous solid water (ASW) films are investigated using temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). TPD measurements are used to probe surface crystallization and RAIRS measurements are used to probe bulk crystallization. Isothermal TPD results show that surface crystallization is independent of the film thickness (from 100 to 1000 ML). Conversely, the RAIRS measurements show that the bulk crystallization time increases linearly with increasing film thickness. These results suggest that nucleation and crystallization begin at the ASW/vacuum interface and then the crystallization growth front propagates linearly into the bulk. This mechanism was confirmed by selective placement of an isotopic layer (5% D2O in H2O) at various positions in an ASW (H2O) film. In this case, the closer the isotopic layer was to the vacuum interface, the earlier the isotopic layer crystallized. These experiments provide direct evidence to confirm that ASW crystallization in vacuum proceeds by a “top-down” crystallization mechanism.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2014

Pressure-induced amorphization in orthorhombic Ta{sub 2}O{sub 5}: An intrinsic character of crystal

The phase transition of orthorhombic Ta{sub 2}O{sub 5} was investigated by in situ synchrotron X-ray diffraction and Raman spectroscopy. The orthorhombic phase transforms into an amorphous form completely at 24.7 GPa. A bulk modulus B{sub 0} = 139 (9) GPa for the orthorhombic Ta{sub 2}O{sub 5} is derived from the P-V data. We suggest that the pressure-induced amorphization (PIA) in Ta{sub 2}O{sub 5} can be attributed to the unstability of the a axis under high pressure leads to the connections of polyhedral breaking down and even triggers disorder of the whole crystal frame. These results demonstrate that the PIA is an intrinsic character of Ta{sub 2}O{sub 5} which depends on its orthorhombic crystal structure rather than nanosize effects. This study provides a new kind of bulk material for investigating PIA in metal oxides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Order within disorder: The atomic structure of ion-beam sputtered amorphous tantala (a-Ta{sub 2}O{sub 5})

Amorphous tantala (a-Ta{sub 2}O{sub 5}) is a technologically important material often used in high-performance coatings. Understanding this material at the atomic level provides a way to further improve performance. This work details extended X-ray absorption fine structure measurements of a-Ta{sub 2}O{sub 5} coatings, where high-quality experimental data and theoretical fits have allowed a detailed interpretation of the nearest-neighbor distributions. It was found that the tantalum atom is surrounded by four shells of atoms in sequence; oxygen, tantalum, oxygen, and tantalum. A discussion is also included on how these models can be interpreted within the context of published crystalline Ta{sub 2}O{sub 5} and other a-T{sub 2}O{sub 5} studies.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of medium range order on pulsed laser crystallization of amorphous germanium thin films

Sputter deposited amorphous Ge thin films had their nanostructure altered by irradiation with high-energy Ar + ions. The change in the structure resulted in a reduction in medium range order (MRO) characterized using fluctuation electron microscopy. The pulsed laser crystallization kinetics of the as-deposited versus irradiated materials were investigated using the dynamic transmission electron microscope operated in the multi-frame movie mode. In conclusion, the propagation rate of the crystallization front for the irradiated material was lower; the changes were correlated to the MRO difference and formation of a thin liquid layer during crystallization.

36 MATERIALS SCIENCE↗
DOE OSTI2016

High pressure polymorphs and amorphization of upconversion host material NaY(WO 4 ) 2

The pressure effect on the structural change of upconversion host material NaY(WO 4 ) 2 was studied in this paper by using in-situ synchrotron X-ray diffraction. A transition from the initial scheelite phase to the M-fergusonite phase occurs near 10 GPa, and another phase transition is found near 27.5 GPa, which could be an isostructural transition without symmetry change. The sample becomes amorphous when the pressure is fully released from high pressure. Finally, this work demonstrates the possibility of synthesizing various polymorph structures for non-linear optical applications with a high pressure, chemical doping, or strained thin-film nanostructure process.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Metal Amorphous Nanocomposite (MANC) Alloy Cores with Spatially Tuned Permeability for Advanced Power Magnetics Applications

Metal amorphous nanocomposite (MANC) alloys are an emerging class of soft magnetic materials showing promise for a range of inductive components targeted for higher power density and higher efficiency power conversion applications including inductors, transformers, and rotating electrical machinery. Magnetization reversal mechanisms within these alloys are typically determined by composition optimization as well as controlled annealing treatments to generate a nanocomposite structure composed of nanocrystals embedded in an amorphous precursor. Here in this paper we demonstrate the concept of spatially varying the permeability within a given component for optimization of performance by using the strain annealing process. The concept is realized experimentally through the smoothing of the flux profile from the inner to outer core radius achieved by a monotonic variation in tension during the strain annealing process. Great potential exists for an extension of this concept to a wide range of other power magnetic components and more complex spatially varying permeability profiles through advances in strain annealing techniques and controls.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Numerical Simulation of Vibrational Sum Frequency Generation Intensity for Non-Centrosymmetric Domains Interspersed in an Amorphous Matrix: A Case Study for Cellulose in Plant Cell Wall

Vibrational sum frequency generation (SFG) spectroscopy can specifically probe molecular species non-centrosymmetrically arranged in a centrosymmetric or isotropic medium. This capability has been extensively utilized to detect and study molecular species present at the two-dimensional (2D) interface at which the centrosymmetry or isotropy of bulk phases is naturally broken. The same principle has been demonstrated to be very effective for the selective detection of non-centrosymmetric crystalline nanodomains interspersed in three-dimensional (3D) amorphous phases. However, the full spectral interpretation of SFG features has been difficult due to the complexity associated with the theoretical calculation of SFG responses of such 3D systems. This paper describes a numerical method to predict the relative SFG intensities of non-centrosymmetric nanodomains in 3D systems as functions of their size and concentration as well as their assembly patterns, i.e., the distributions of tilt, azimuth, and rotation angles with respect to the lab coordinate. We applied the developed method to predict changes in the CH and OH stretch modes characteristic to crystalline cellulose microfibrils distributed with various orders, which are relevant to plant cell wall structures. As a result, the same algorithm can also be applied to any SFG-active nanodomains interspersed in 3D amorphous matrices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Synthesis and structure of synthetically pure and deuterated amorphous (basic) calcium carbonates

It is generally believed that H 2 O and OH - are the key species stabilizing and controlling amorphous calcium carbonate “polyamorph” forms, and may in turn control the ultimate crystallization products during synthesis and in natural systems. Yet, the locations and hydrogen-bonding network of these species in ACC have never been measured directly using neutron diffraction. In this paper, we report a synthesis route that overcomes the existing challenges with respect to yield quantities and deuteration, both of which are critically necessary for high quality neutron studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗