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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

New Approaches for Passivation of Crystalline and Amorphous Silicon (CRADA Final Report)

New approaches of passivating crystalline, multicrystalline, and amorphous silicon will be explored. These will include the use of aqueous solution of KCN and a proprietary composition formulated by Mallinckrodt Baker, Inc. The surface passivation will be compared with that provided by an iodine-ethanol solution, and bulk passivation will be compared with that of H-passivation obtained by siliconnitride, in a fire-through process.

14 SOLAR ENERGY↗
DOE OSTI2013

Electron Cloud in Steel Beam Pipe vs Titanium Nitride Coated and Amorphous Carbon Coated Beam Pipes in Fermilab's Main Injector

This paper documents the use of four retarding field analyzers (RFAs) to measure electron cloud signals created in Fermilab’s Main Injector during 120 GeV operations. The first data set was taken from September 11, 2009 to July 4, 2010. This data set is used to compare two different types of beam pipe that were installed in the accelerator. Two RFAs were installed in a normal steel beam pipe like the rest of the Main Injector while another two were installed in a one meter section of beam pipe that was coated on the inside with titanium nitride (TiN). A second data run started on August 23, 2010 and ended on January 10, 2011 when Main Injector beam intensities were reduced thus eliminating the electron cloud. This second run uses the same RFA setup but the TiN coated beam pipe was replaced by a one meter section coated with amorphous carbon (aC). This section of beam pipe was provided by CERN in an effort to better understand how an aC coating will perform over time in an accelerator. The research consists of three basic parts: (a) continuously monitoring the conditioning of the three different types of beam pipe over both time and absorbed electrons (b) measurement of the characteristics of the surrounding magnetic fields in the Main Injector in order to better relate actual data observed in the Main Injector with that of simulations (c) measurement of the energy spectrum of the electron cloud signals using retarding field analyzers in all three types of beam pipe.

Backfish, Michael↗
DOE OSTI2015

Characterization and Modeling of Amorphous Metallic Cores

Los Alamos is planning a new compact multi-pulsed electron linear induction accelerator (LIA) for flash radiography of explosively driven hydrodynamic experiments, the Advanced Radiography Induction Accelerator (ARIA). In order to operate in multi-pulse mode without the need to reset the inductor cores between each pulse, the design incorporates amorphous metallic glass cores. Due to their high magnetic saturation value, these provide enough volt-seconds for sequential pulsing before reaching saturation. Although metallic glass cores are used extensively, their behavior depends greatly on the particular formulation and on the specific application. For this reason, we have undertaken an effort to better characterize the cores under consideration and use this data to develop models that can be used in EM simulations. We present the characterization of two types of cores being consid- ered: Metglas 2605CO and 2605HB1M cores. We include detailed measurements of BH curves at various magneti- zation rates, measurements of multiple pulses on the same core, and initial modeling efforts.

43 PARTICLE ACCELERATORS↗
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↗
DOE OSTI2022

Effects of plasma on physical properties of water: nanocrystalline-to-amorphous phase transition and improving produce washing

Recently is was discovered in various applications that many physical and chemical properties of water change their temperature dependence between about 35 and 60 degrees Celsius. In particular, heat conductance, light absorption, and surface tension all change their temperature dependence. These drastic changes were associated with water gradually changing its mesoscopic structure: while at the higher temperatures water is a uniform media (amorphous state), at the temperatures below transition it consists of many nano-to-micro-scale clusters (crystalline state). This transition is similar to the second order phase transition. In the present paper we show that treating water with non-thermal plasma (adding plasma-created active compounds) can lower the temperature of the transition and thus cause a significant change in such physical quantities as surface tension, viscosity, freezing rate, and wettability and washability. We present analytical estimates of the transition temperature shift based on the Debye-Hückel theory. We discuss the produce-washing experiments that illustrate the predicted effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Amorphous 2D Materials – A Novel Platform for Remote Epitaxy and Nanopatterned Epitaxy of III-V Semiconductors with Low Decomposition Temperatures

III-V semiconductor materials such as indium phosphide (InP) offer outstanding photonic properties that outperforms silicon, but the cost of these wafers is extremely expensive. Although reusing original wafers can effectively minimize the cost, current techniques for wafer recycling of these substrates add significant costs in fabrication, nullifying the cost savings by reusing the wafers. Besides, unlike other III-V materials such as gallium arsenide (GaAs), commonly used epitaxial lift-off method for wafer recycling is not well studied for materials like InP due to lack of lattice-matched sacrificial layers, which makes reusing these wafers more difficult. Remote epitaxy and nanopatterned epitaxy are newly discovered methods that enable single-crystal growth of III-V semiconductor thin films and easy exfoliation of these grown films, thus promising for a new cost-effective pathway of reusing wafers. However, previous methods of transferring two-dimensional (2D) materials, which use polymethyl methacrylate (PMMA) or metal stressor layers to transfer 2D materials grown on foreign substrates like copper (Cu) or silicon carbide (SiC), introduce defects and damages on the 2D layer and/or substrates during the transfer process. Remote epitaxial and nanopatterned epitaxial films grown on the damaged 2D layer/substrate suffer from lower crystal quality and imperfect exfoliation, which undermines wafer reusability and device performance. Here we report the MBE growth of amorphous boron nitride (a-BN) on InP wafers at low temperature that enabled improved quality of remote epitaxial and nanopatterned epitaxial films and their perfect exfoliation. We show fully covered a-BN on InP substrates despite their low decomposition temperatures. The surface of a-BN coated InP substrate remains smooth with a RMS roughness of around 3Â. We also demonstrate 100% coverage of single-crystal InP thin films grown on a-BN, with the film's quality significantly improved compared to the case of transferred 2D materials. In addition, the growth and exfoliation were successfully repeated multiple times, proving the feasibility for InP wafer recycling. Through this low temperature MBE growth approach with remote epitaxy and nanopatterned epitaxy, we successfully demonstrate large-scale flexible thin film exfoliation and recycling of InP substrates, which will lead to new opportunities in InP thin film-based photonics and novel heterostructures with significantly reduced cost.

Lu, Kuangye↗
DOE OSTI2022

Amorphous 2D Materials – A Novel Platform for Remote Epitaxy and Nanopatterned Epitaxy of III-V Semiconductors with Low Decomposition Temperatures

III-V semiconductor materials such as indium phosphide (InP) offer outstanding photonic properties that outperforms silicon, but the cost of these wafers is extremely expensive. Although reusing original wafers can effectively minimize the cost, current techniques for wafer recycling of these substrates add significant costs in fabrication, nullifying the cost savings by reusing the wafers. Besides, unlike other III-V materials such as gallium arsenide (GaAs), commonly used epitaxial lift-off method for wafer recycling is not well studied for materials like InP due to lack of lattice-matched sacrificial layers, which makes reusing these wafers more difficult. Remote epitaxy and nanopatterned epitaxy are newly discovered methods that enable single-crystal growth of III-V semiconductor thin films and easy exfoliation of these grown films, thus promising for a new cost-effective pathway of reusing wafers. However, previous methods of transferring two-dimensional (2D) materials, which use polymethyl methacrylate (PMMA) or metal stressor layers to transfer 2D materials grown on foreign substrates like copper (Cu) or silicon carbide (SiC), introduce defects and damages on the 2D layer and/or substrates during the transfer process. Remote epitaxial and nanopatterned epitaxial films grown on the damaged 2D layer/substrate suffer from lower crystal quality and imperfect exfoliation, which undermines wafer reusability and device performance. Here we report the MBE growth of amorphous boron nitride (a-BN) on InP wafers at low temperature that enabled improved quality of remote epitaxial and nanopatterned epitaxial films and their perfect exfoliation. We show fully covered a-BN on InP substrates despite their low decomposition temperatures. The surface of a-BN coated InP substrate remains smooth with a RMS roughness of around 3Å. We also demonstrate 100% coverage of single-crystal InP thin films grown on a-BN, with the film's quality significantly improved compared to the case of transferred 2D materials. In addition, the growth and exfoliation were successfully repeated multiple times, proving the feasibility for InP wafer recycling. Through this low temperature MBE growth approach with remote epitaxy and nanopatterned epitaxy, we successfully demonstrate large-scale flexible thin film exfoliation and recycling of InP substrates, which will lead to new opportunities in InP thin film-based photonics and novel heterostructures with significantly reduced cost.

Lu, Kuangye↗
DOE OSTI2023

Ab initio studies of the impact of the Debye-Waller factor on the structural and dynamical properties of amorphous semiconductors: The case of a-Si

This paper presents a first-principles study of the Debye-Waller factor and the Debye temperature for amorphous silicon (a-Si) from lattice-dynamical calculations and direct molecular-dynamics simulations using density-functional theory (DFT). The effects of temperature and structural disorder on the intensity of the diffraction maxima and the vibrational mean-square displacement (MSD) of Si atoms are studied in the harmonic approximation, with particular emphasis on the bond-length disorder, the presence of coordination defects, and microvoids in a-Si networks. It has been observed that the MSDs associated with tetrahedrally-bonded Si atoms are considerably lower than their dangling-bond counterparts – originating from isolated and vacancy-induced clustered defects – and those on the surface of microvoids, leading to an asymmetric non-gaussian tail in the distribution of atomic displacements. An examination of the effect of anharmonicity on the MSD at high temperatures using direct ab initio molecular-dynamics simulations (without the harmonic approximation) suggests that the vibrational motion in a-Si is practically unaffected by anharmonic effects at temperatures below 400 K, as far as the present DFT calculations are concerned. The Debye temperature of a-Si is found to be in the range of 488–541 K from specific-heat and MSD calculations using first-principles lattice-dynamical calculations in the harmonic approximation, which matches closely with the experimental value of 487–528 K obtained from specific-heat measurements of a-Si at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Understanding and controlling water-organic co-transport in amorphous microporous materials

The transport of molecules in microporous material is a significant and active area of research in separation applications. The movement of vapor/liquid molecules in a high-loading condition in microporous spaces is especially challenging to interrogate. This project aims to understand and control the transport of complex water and organic solvent mixtures in varying structures of microporous carbon molecular sieve (CMS) and activated carbon membranes. Modeling of transport behavior in such carbonaceous samples using computational modeling is difficult due to their amorphous structure. Therefore, this research intends to study the transport mechanism of water-organic mixtures by experimentally revealing fundamental transport properties, such as guest sorption amounts as well as diffusion and permeation rates. Considering the different size and guest-host affinity of water and organic solvent molecules, the objective of this research is to understand the structural conditions within the ultramicropores and micropores that generate different types of molecular transport and selection mechanisms within such complex systems. Carbonaceous materials are developed using tailored pyrolysis techniques to pyrolyze polymeric precursors, including polyvinylidene chloride (PVDC),polyvinylidene fluoride (PVDF), polymer of intrinsic microporosity (PIM) -1, and fully aromatic polyamide. The initial stage of the research will focus on the microscopic diffusion and sorption studies of pure component water, xylene isomers, and n,n- dimethylformamide within various carbons. Additional structural investigation on CMS, such as gas physisorption and neutron scattering studies, will be executed to gain deeper insight into these structure-transport relationships. Scanning electron microscopy and X-ray photoelectron microscopy are also used to further characterize these materials. The research will progress to probe mutual diffusion of complex water-organic mixtures within various CMS microstructures. Competitive sorption and permeation studies of the binary mixtures in different microstructural CMS will be followed. The obtained binary mixture transport parameters were used to predict binary water-organic mixtures transport.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Towards libraries of different ultrasmall amorphous silica cage topologies

Cage topology controlled at the nanometer length scale is expected to enable original functionalities, e.g., in catalysis and therapeutics. Cages are fundamental structural motifs of clathrates and their topological duals, Frank-Kasper phases, and are constituents of mesoporous silica frameworks. However, with one exception, they have not been synthesized as discrete particles. By varying reactant ratios of surfactant, oil, and silane, we report the discovery of 5(12)6(2) and 5(12)6(8) amorphous silica polyhedra, each coexisting with the previously identified 5(12) cage, using combined cryo-transmission electron microscopy (cryo-TEM) and single-particle reconstruction (SPR). Notably, the 5(12)6(8) polyhedron represents a topology not previously observed in mesoporous silica frameworks. Control over structural features is demonstrated, and insights into cage formation mechanisms are provided. Structural outcomes are summarized in a ternary morphology diagram alongside prior results, bridging serendipitous discovery and intentional design of silica cages displaying a level of control over silica polymerization rivaling nature.

Jang, Dong June [Department of Materials Science a↗
DOE OSTI2018

Experimental Investigation of the Change in the Efficiency of Hydrogenated Amorphous Silicon Solar Cells with Different Intrinsic Layer Thicknesses

The paper presents the results of experimental studies on changes in the efficiency of p-i-n-structured solar cells based on hydrogenated amorphous silicon (a-Si : H) with different thicknesses of the intrinsic i-region under prolonged illumination. An improvement in the efficiency of solar cells owing to light exposure and the Staebler–Wronski effect were observed. It was established that a-Si : H solar cells have a predetermined structure and parameters that influence the Staebler–Wronski effect, which must be taken into consideration in photocell construction.

14 SOLAR ENERGY↗
DOE OSTI2011

Cellular Recognition and Trafficking of Amorphous Silica Nanoparticles by Macrophage Scavenger Receptor A

The internalization of engineered nanoparticles (ENPs) into cells is known to involve active transport mechanisms, yet the precise biological molecules involved are poorly understood. We demonstrate that the uptake of amorphous silica ENPs (92 nm) by macrophage cells is strongly inhibited by silencing expression of scavenger receptor A (SR-A). In addition, ENP uptake is augmented by introducing SR-A expression into human cells that are normally non-phagocytic. Confocal fluorescent microscopy analyses show that the majority of single or small clusters of silica ENPs co-localize intracellularly with SR-A and are internalized through a pathway characteristic of clathrin-dependent endocytosis. In contrast, larger silica NP agglomerates (>500 nm) are poorly co-localized with the receptor, suggesting independent trafficking or internalization pathways are involved. SR-A silencing also caused decreased cellular secretion of pro-inflammatory cytokines in response to silica ENPs. As SR-A is expressed in macrophages throughout the reticulo-endothelial system, this pathway is likely an important determinant of the biodistribution of, and cellular response to ENPs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Impact of Amorphous SiO{sub 2} Nanoparticles on a Living Organism: Morphological, Behavioral, and Molecular Biology Implications

It is generally accepted that silica (SiO{sub 2}) is not toxic. But the increasing use of silica nanoparticles (SiO{sub 2}NPs) in many different industrial fields has prompted the careful investigation of their toxicity in biological systems. In this report, we describe the effects elicited by SiO{sub 2}NPs on animal and cell physiology. Stable and monodisperse amorphous silica nanoparticles, 25 nM in diameter, were administered to living Hydra vulgaris (Cnidaria). The dose-related effects were defined by morphological and behavioral assays. The results revealed an all-or-nothing lethal toxicity with a rather high threshold (35 nM NPs) and a LT50 of 38 h. At sub lethal doses, the morphophysiological effects included: animal morphology alterations, paralysis of the gastric region, disorganization and depletion of tentacle specialized cells, increase of apoptotic and collapsed cells, and reduction of the epithelial cell proliferation rate. Transcriptome analysis (RNAseq) revealed 45 differentially expressed genes, mostly involved in stress response and cuticle renovation. Our results show that Hydra reacts to SiO{sub 2}NPs, is able to rebalance the animal homeostasis up to a relatively high doses of SiO{sub 2}NPs, and that the physiological modifications are transduced to gene expression modulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Effects of High Magnetic Fields on Phase Transformations in Amorphous Nd2Fe14B

We briefly summarize the results from a set of experiments designed to demonstrate the effects of high magnetic fields applied during thermal annealing of amorphous Nd2Fe14B produced through melt-spinning. A custom-built differential scanning calorimeter was used to determine the crystallization temperatures in zero-field and in applied fields of 20 kOe and 90 kOe, which guided subsequent heat treatments to evaluate phase evolution. X-ray diffraction was used for phase identification and transmission electron microscopy was employed for observation of the crystallite size and morphology. Magnetization measurements were also used to evaluate the resulting magnetic phases after thermomagnetic processing. While the applied magnetic fields do not appear to affect the crystallization temperature, significant effects on the kinetics of phase evolution are observed and correlated strongly to the magnetic behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effects of Plasma on Physical Properties of Water: Nanocrystalline-to-Amorphous Phase Transition and Improving Produce Washing

Washing fresh produce using Plasma-activated water recently became a promising eco-friendly alternative to using chemical additives such as Chlorine. We discuss the produce-washing experiments that illustrate that addition of plasma to washing water is a multi-faced phenomena. Not only it increases the sterilization ability of water by killing pathogens, but it also has improved washibility: the ability to remove pathogens from the cleaning surface. We propose an explanation of these features based on the recently discoveries that many physical and chemical properties of water change their temperature dependence between about 35 and 60 degrees Celsius. In particular, heat conductance, light absorption, and surface tension all change their temperature dependence. These drastic changes were associated with water gradually changing its mesoscopic structure: while at the higher temperatures water is a uniform media (amorphous state), at the temperatures below transition it consists of many nano-to-micro-scale clusters (crystalline state). This transition is similar to the second order phase transition. In the present paper we propose that treating water with non-thermal plasma (adding plasma-created active compounds) can lower the temperature of the transition and thus cause a significant change in such physical quantities as surface tension, viscosity, freezing rate, and wettability and washability.

He, Jinjie↗
DOE OSTI2016

STICKING OF MOLECULES ON NONPOROUS AMORPHOUS WATER ICE

Accurate modeling of physical and chemical processes in the interstellar medium (ISM) requires detailed knowledge of how atoms and molecules adsorb on dust grains. However, the sticking coefficient, a number between 0 and 1 that measures the first step in the interaction of a particle with a surface, is usually assumed in simulations of ISM environments to be either 0.5 or 1. Here we report on the determination of the sticking coefficient of H{sub 2}, D{sub 2}, N{sub 2}, O{sub 2}, CO, CH{sub 4}, and CO{sub 2} on nonporous amorphous solid water. The sticking coefficient was measured over a wide range of surface temperatures using a highly collimated molecular beam. We showed that the standard way of measuring the sticking coefficient—the King–Wells method—leads to the underestimation of trapping events in which there is incomplete energy accommodation of the molecule on the surface. Surface scattering experiments with the use of a pulsed molecular beam are used instead to measure the sticking coefficient. Based on the values of the measured sticking coefficient, we suggest a useful general formula of the sticking coefficient as a function of grain temperature and molecule-surface binding energy. We use this formula in a simulation of ISM gas–grain chemistry to find the effect of sticking on the abundance of key molecules both on grains and in the gas phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

A COMPREHENSIVE STUDY OF HYDROGEN ADSORBING TO AMORPHOUS WATER ICE: DEFINING ADSORPTION IN CLASSICAL MOLECULAR DYNAMICS

Gas–grain and gas–phase reactions dominate the formation of molecules in the interstellar medium (ISM). Gas–grain reactions require a substrate (e.g., a dust or ice grain) on which the reaction is able to occur. The formation of molecular hydrogen (H{sub 2}) in the ISM is the prototypical example of a gas–grain reaction. In these reactions, an atom of hydrogen will strike a surface, stick to it, and diffuse across it. When it encounters another adsorbed hydrogen atom, the two can react to form molecular hydrogen and then be ejected from the surface by the energy released in the reaction. We perform in-depth classical molecular dynamics simulations of hydrogen atoms interacting with an amorphous water-ice surface. This study focuses on the first step in the formation process; the sticking of the hydrogen atom to the substrate. We find that careful attention must be paid in dealing with the ambiguities in defining a sticking event. The technical definition of a sticking event will affect the computed sticking probabilities and coefficients. Here, using our new definition of a sticking event, we report sticking probabilities and sticking coefficients for nine different incident kinetic energies of hydrogen atoms [5–400 K] across seven different temperatures of dust grains [10–70 K]. We find that probabilities and coefficients vary both as a function of grain temperature and incident kinetic energy over the range of 0.99–0.22.

79 ASTRONOMY AND ASTROPHYSICS↗