Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “AMORPHIZATION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Amorphous and Nanocomposite Magnets for High Efficiency, High Speed Motor Designs

This project developed metal amorphous nanocomposite (MANC) soft magnetic materials (SMMs) for a rare earth (RE)-free 2.5 kW motor with 4% increased efficiency. The Project modeled RE-free motor topologies. The project outcomes addressed: (a) metal to alloy processing & magnet core production; (b) soft magnetic laminate & core post-processing; and (c) producing a 2.5 kW motor extending to TRL-5.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Coupling of Infrared Active Colloidal Quantum Dots and Amorphous Selenium for Fast and Sensitive Photodetection

Colloidal quantum dot (CQD) based infrared (IR) photodetectors offer facile wavelength tunability in the IR and low-cost fabrication. However, owing to their large surface areas, CQDs intrinsically have significant surface traps critically affecting the speed of CQD photodetectors, typically mediated through tedious surface passivation efforts. In this report, an alternative strategy involving coupling of near-IR photoactive lead sulfide CQDs with a thermally evaporated amorphous selenium (a-Se) hole transport layer is proposed. By separating the detector into a photon absorbing CQD region and a charge transport a-Se region, the study takes advantage of the extremely low noise, predominantly hole-only transport process in a-Se. Here, a high 3 dB bandwidth of 2.5 MHz and a competitive specific detectivity of 2.5 × 10 11 Jones at room temperature are demonstrated at 980 nm. This report serves as a first demonstration of strong coupling between an IR active CQD absorber and a-Se, which paves the path to obtain fast and highly photoresponsive IR photodetection in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Chiral Spin Textures in Amorphous Iron–Germanium Thick Films

Topological solitary fields, such as magnetic and polar skyrmions, are envisioned to revolutionize microelectronics. These configurations have been stabilized in solid-state materials with a global inversion symmetry breaking, which translates in magnetic materials into a vector spin exchange known as the Dzyaloshinskii-Moriya interaction (DMI), as well as spin chirality selection and isotropic solitons. This work reports experimental evidence of 3D chiral spin textures, such as helical spins and skyrmions with different chirality and topological charge, stabilized in amorphous Fe-Ge thick films. Overall, these results demonstrate that structurally and chemically disordered materials with a random DMI can resemble inversion symmetry broken systems with similar magnetic properties, moments, and states. Disordered systems are distinguished from systems with global inversion symmetry breaking by their degenerate spin chirality that allows for forming isotropic and anisotropic topological spin textures at remanence, while offering greater flexibility in materials synthesis, voltage, and strain manipulation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Crystallization by Amorphous Particle Attachment: On the Evolution of Texture

Abstract Crystallization by particle attachment (CPA) is a gradual process where each step has its own thermodynamic and kinetic constrains defining a unique pathway of crystal growth. An important example is biomineralization of calcium carbonate through amorphous precursors that are morphed into shapes and textural patterns that cannot be envisioned by the classical monomer‐by‐monomer approach. Here, a mechanistic link between the collective kinetics of mineral deposition and the emergence of crystallographic texture is established. Using the prismatic ultrastructure in bivalve shells as a model, a fundamental leap is made in the ability to analytically describe the evolution of form and texture of biological mineralized tissues and to design the structure and crystallographic properties of synthetic materials formed by CPA.

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

Magnetic Materials: Chiral Spin Textures in Amorphous Iron–Germanium Thick Films (Adv. Mater. 8/2021)

Topological solitary fields, such as magnetic and polar skyrmions, are envisioned to revolutionize microelectronics. These configurations have been stabilized in solid-state materials with a global inversion symmetry breaking, which translates in magnetic materials into a vector spin exchange known as the Dzyaloshinskii–Moriya interaction (DMI), as well as spin chirality selection and isotropic solitons. This work reports experimental evidence of 3D chiral spin textures, such as helical spins and skyrmions with different chirality and topological charge, stabilized in amorphous Fe–Ge thick films. These results demonstrate that structurally and chemically disordered materials with a random DMI can resemble inversion symmetry broken systems with similar magnetic properties, moments, and states. In conclusion, disordered systems are distinguished from systems with global inversion symmetry breaking by their degenerate spin chirality that allows for forming isotropic and anisotropic topological spin textures at remanence, while offering greater flexibility in materials synthesis, voltage, and strain manipulation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Probing the Unique Role of Gallium in Amorphous Oxide Semiconductors through Structure–Property Relationships

This study explores the unique role of Ga in amorphous (a-) In-Ga-O oxide semiconductors through combined theory and experiment. It reveals substitutional effects that have not previously been attributed to Ga, and that are investigated by examining how Ga influences structure–property relationships in a series of pulsed laser deposited a-In-Ga-O thin films. Element-specific structural studies (X-ray absorption and anomalous scattering) show good agreement with the results of ab initio molecular dynamics simulations. This structural knowledge is used to understand the results of air-annealing and Hall effect electrical measurements. The crystallization temperature of a-IO is shown to increase by as much as 325 °C on substituting Ga for In. This increased thermal stability is understood on the basis of the large changes in local structure that Ga undergoes, as compared to In, during crystallization. Hall measurements reveal an initial sharp drop in both carrier concentration and mobility with increasing Ga incorporation, which moderates at >20 at% Ga content. This decline in both the carrier concentration and mobility with increasing Ga is attributed to dilution of the charge-carrying In-O matrix and to increased structural disorder. The latter effect saturates at high at% Ga.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Surface Amorphization of Vanadium Dioxide (B) for K-ion Battery

Given the merits of low cost, fast ionic transport in electrolyte, and high operating voltage, potassium ion batteries (PIBs) are promising alternatives to lithium-ion batteries. However, developing suitable electrode materials that can reversibly accommodate large potassium ions is a great challenge. In this paper, guided by density functional theory (DFT) calculations, it is demonstrated that the strategy of interfacial engineering via surface amorphization of VO 2 (B) nanorods (SA-VO 2 ), which results in the formation of a crystalline core/amorphous shell heterostructure, enables superior K + storage performance in terms of large capacity, outstanding rate capability, and long cycle stability working as an anode for PIBs. DFT calculations reveal that the created crystalline/amorphous heterointerface in SA-VO 2 can substantially lower the surface energy, narrow the band gap, and reduce the K + diffusion barrier of VO 2 (B). These conditions enable enhanced K + storage capacity and rapid K + /electron transfer, which result in large capacity and outstanding rate capability. Using in situ X-ray diffraction and in situ transmission electron microscopy complemented by ex situ microscopic and spectroscopic techniques, it is unveiled that the superior cycling stability originates from the excellent phase reversibility with negligible strain response and robust mechanical behavior of SA-VO 2 upon (de)potassiation.

25 ENERGY STORAGE↗
DOE OSTI2023

Activating Bi p- orbitals in Dispersed Clusters of Amorphous BiO x for Electrocatalytic Nitrogen Reduction

Catalytic strategies based on main group metals are significantly less advanced than those of transition metal catalysis, leaving untapped areas of potentially fruitful research. Here, in this study, we demonstrate an effective approach for the modulation of Bi 6p energy levels during the construction of atomically dispersed clusters of amorphous BiO x . Bi oxidation state is proposed to strongly affects the nitrogen fixation activity, with the half-occupied p z orbitals of the Bi 2+ ions being highly efficient toward electron injection into the inert N 2 molecule. With sufficient catalytic sites to adsorb and activate N 2 , the bonding between N 2 and catalyst is able to be in situ identified. The catalyst shows an outstanding Faraday efficiency (≈30 %) and high yield (≈113 μg h -1 mg -1 cat ) in NH 3 production, outperforming most of the existing catalysts in aqueous solution. These results lay the basis for developing the potential of p-block elements for catalysis of multi-electron reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

In Situ Reconstructed Mo–doped Amorphous FeOOH Boosts the Oxygen Evolution Reaction

Developing a fast and highly active oxygen evolution reaction (OER) catalyst to change energy kinetics technology is essential for making clean energy. Herein, we prepare three-dimensional (3D) hollow Mo-doped amorphous FeOOH (Mo-FeOOH) based on the precatalyst MoS 2 /FeC 2 O 4 via in situ reconstruction strategy. Mo-FeOOH exhibits promising OER performance. Specifically, it has an overpotential of 285 mV and a durability of 15 h at 10 mA cm –2 . Characterizations indicate that Mo was included inside the FeOOH lattice, and it not only modifies the electronic energy levels of FeOOH but also effectively raises the inherent activity of FeOOH for OER. Additionally, in situ Raman analysis indicates that FeC 2 O 4 gradually transforms into the FeOOH active site throughout the OER process. Finally, this study provides ideas for designing in situ reconstruction strategies to prepare heteroatom doping catalysts for high electrochemical activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Atmospheric Pressure Plasma CVD of Amorphous Hydrogenated Silicon Carbonitride (a-SiCN:H) Films Using Triethylsilane and Nitrogen

Amorphous hydrogenated silicon carbonitride (a-SiCN:H) thin films are synthesized by atmospheric pressure plasma enhanced chemical vapor (AP-PECVD) deposition using the Surfx Atomflow{trademark} 250D APPJ source with triethylsilane (HSiEt{sub 3}, TES) and nitrogen as the precursor and the reactive gases, respectively. The effect of the substrate temperature (T{sub s}) on the growth characteristics and the properties of a-SiCN:H films was evaluated. The properties of the films were investigated via scanning electron microscopy (SEM), atomic force microscopy (AFM) for surface morphological analyses, Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) for chemical and compositional analyses; spectroscopic ellipsometry for optical properties and thickness determination and nanoindentation to determine the mechanical properties of the a-SiCN:H films. Films deposited at low T{sub s} depict organic like features, while the films deposited at high T{sub s} depict ceramic like features. FTIR and XPS studies reveal that an increases in T{sub s} helps in the elimination of organic moieties and incorporation of nitrogen in the film. Films deposited at T{sub s} of 425 C have an index of refraction (n) of 1.84 and hardness (H) of 14.8 GPa. A decrease in the deposition rate between T{sub s} of 25 and 250 C and increase in deposition rate between T{sub s} of 250 and 425 C indicate that the growth of a-SiCN:H films at lower T{sub s} are surface reaction controlled, while at high temperatures film growth is mass-transport controlled. Based on the experimental results, a potential route for film growth is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Negative thermal expansion coefficient and amorphization in defective 4H-SiC

This paper presents thermal expansion coefficient (TEC) and amorphization in 4H-SiC containing point defects at different concentrations. We considered vacancy defects, interstitial defects, and Frenkel pair defects and investigated the thermomechanical response of the lattice over a wide range of temperatures using classical molecular dynamics simulations. The results show that 4H-SiC with vacancy defects exhibits a negative TEC above a critical defect density of around 9% (irrespective of the temperature). With interstitial defects, it exhibits a positive TEC (regardless of the defect density), and with Frenkel pair defects it shows a transition from positive TEC to negative TEC for a defect density greater than 8%. The coupling between temperature-induced expansion and defect-introduced stress in the lattice forms the mechanistic basis for the observed variation in TEC. Furthermore, the specific heat decreases rapidly with an increase in defect density at room temperature, with the highest sensitivity of the lattice observed for the Frenkel pair defects followed by interstitial defects and then by vacancy defects. Finally, these findings highlight the critical implications of defects on thermal expansion behavior of 4H-SiC with applications in radiation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Measurement of High Density Electrons Above a Helium Film on an Amorphous Metal Substrate

Here we have measured two-dimensional electron systems bound to a thin helium film supported by a metallic substrate. We report on our measurement of electron density obtained via a Kelvin probe technique. The underlying metallic substrate is an amorphous metallic alloy (TaWSi), which can support large uniform densities due to its low surface roughness and homogeneous work function. We find that this substrate is able to support high enough densities that the electrons are expected to be Fermi-degenerate.

42 ENGINEERING↗
DOE OSTI2019

Theoretical Modeling of the Non-equilibrium Amorphous State in 1T-TaS{sub 2}

1T-TaS{sub 2} is known for it’s remarkably complex phase diagram and it’s unique long-lived metastable hidden (H) state. Recently, a novel metastable state has been discovered using higher fluences for photoexcitation than in the case of the H state. The state has been dubbed as amorphous (A) due to it’s similarity to glass. Expanding on the work of Brazovskii and Karpov, we show that the A state can be successfully modeled with classical interacting polarons on a two dimensional hexagonal lattice. We have found that the polaron configuration of the A state corresponds to a frustrated screened Coulomb system, where there is no order-disorder phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Structure Amorphization and Mechanical Properties of Nanolaminates of the Copper–Niobium System During High-Pressure Torsion

The results of investigation of structural transformations and mechanical behavior of nanolaminates are reported, which were manufactured by multiple rolling of alternating layers of copper and niobium, followed by high-pressure torsion in the Bridgeman chamber. A detailed analysis of structure alteration of the material under study is performed by the high-resolution TEM methods. The changes in the value of microhardness in three dimensions (3D) are investigated during variation of the degree of straining of nanolaminates in the course of their torsion. A phenomenon of structure amorphization and a sharp increase in strength characteristics are revealed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Improving the Fatigue Crack Propagation Resistance and Damage Tolerance of 2524-T3 Alloy with Amorphous Electroless Ni-P Coating

The surface microhardness, as well as the fatigue crack propagation (FCP) resistance of 2524-T3 alloy, is improved by producing a 20-μm-thick amorphous electroless Ni-12% P coating on its surface. Compared to the substrate, this deposited EN coating possesses higher strength properties and exhibits a greater ability of accommodating the plastic deformation at the fatigue crack tip, thereby remarkably improving the FCP resistance in near-threshold and early Paris regimes. Regardless of the similar FCP rates in Paris regime (ΔK ≥ 16.2 MPa m{sup 0.5}), the coated sample exhibits extended Paris regime and enhanced damage tolerance.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Biocompatibility of Hydrogen-Diluted Amorphous Silicon Carbide Thin Films for Artificial Heart Valve Coating

Amorphous silicon carbide (a-SiC:H) thin films were synthesized using trichloromethylsilane by a hot wire chemical vapor deposition process. The deposited films were characterized by Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, x-ray diffraction and x-ray photoelectron spectroscopy to confirm its chemical bonding, structural network and composition of the a-SiC:H films. The optical microscopy images reveal that hydrogen dilution increased the surface roughness and pore density of a-SiC:H thin film. The Raman spectroscopy and FTIR spectra reveal chemical network consisting of Si-Si, C-C and Si-C bonds, respectively. The XRD spectroscopy and Raman spectroscopy indicate a-SiC:H still has short-range order. In addition, in vitro cytotoxicity test ensures the behavior of cell–semiconductor hybrid to monitor the proper coordination. The live–dead assays and MTT assay reveal an increase in green nucleus cell, and cell viability is greater than 88%, respectively, showing non-toxic nature of prepared a-SiC:H film. Moreover, the result indicated by direct contact assay, and cell prefers to adhere and proliferate on a-SiC:H thin films having a positive effect as artificial heart valve coating material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Manifold learning for coarse-graining atomistic simulations: Application to amorphous solids

In this work, we introduce a generalized machine learning framework to probabilistically parameterize upper-scale models in the form of nonlinear PDEs consistent with a continuum theory, based on coarse-grained atomistic simulation data of mechanical deformation and flow processes. The proposed framework utilizes a hypothesized coarse-graining methodology with manifold learning and surrogate-based optimization techniques. Coarse-grained high-dimensional data describing quantities of interest of the multiscale models are projected onto a nonlinear manifold whose geometric and topological structure is exploited for measuring behavioral discrepancies in the form of manifold distances. A surrogate model is constructed using Gaussian process regression to identify a mapping between stochastic parameters and distances. Derivative-free optimization is employed to adaptively identify a unique set of parameters of the upper-scale model capable of rapidly reproducing the system's behavior while maintaining consistency with coarse-grained atomic-level simulations. The proposed method is applied to learn the parameters of the shear transformation zone (STZ) theory of plasticity that describes plastic deformation in amorphous solids as well as coarse-graining parameters needed to translate between atomistic and continuum representations. We show that the methodology is able to successfully link coarse-grained microscale simulations to macroscale observables and achieve a high-level of parity between the models across scales.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Amorphous and crystalline TiO 2 nanoparticle negative electrodes for sodium-ion batteries

Titanium dioxide (TiO 2 ) is a promising negative electrode for sodium ion batteries (SIBS). Although TiO 2 materials with amorphous (A-TiO 2 ) and single-phase crystalline structures (C-TiO 2 ) have been separately explored, the study to compare the fundamental electrochemistry of A-TiO 2 and C-TiO 2 is limited. In this work, we investigated A-TiO 2 and C-TiO 2 nanoparticles with identical chemical composition and morphology. C-TiO 2 exhibits enhanced electrochemical performance than A-TiO 2 in terms of rate capability and cycle life. Cyclic voltammetry (CV) analysis suggests reversible Na ion insertion/extraction in C-TiO 2 . However, such process is irreversible in the case of A-TiO 2 . The charge storage mechanisms in both samples were studied to show that diffusion-controlled intercalation process becomes significant in C-TiO 2 sample. The C-TiO 2 sample has a better Na + diffusivity measured through the galvanostatic intermittent titration technique (GITT) compared to A-TiO 2 , which corroborates well with the rate capability study. Furthermore, the evolution of local structure of the TiO 2 samples was analyzed by ex situ pair distribution function (PDF) to understand the variation in electrochemical properties. In conclusion, it reveals that the corner-shared Ti-Ti distance along Na ion diffusion pathway increases with the increase of crystallinity, leading to the expanded diffusion channels and therefore more active sites and faster diffusion.

25 ENERGY STORAGE↗