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At least 73 records · Page 4

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DOE OSTI2023

Initial study on thermal stability of cold spray tantalum coating irradiated with deuterium for fusion applications

Abstract Removal of neutral hydrogen atoms in the plasma edge reduces the number of charge exchange events and thus, the net energy losses in the plasma, significantly improving performance of fusion devices. Effective control of the residual pressure of hydrogen isotopes (HIs) in the plasma edge may be achieved by utilizing a hydrogen absorbing first wall interface capable of withstanding the harsh fusion environment. In this study, we have investigated tantalum (Ta) coating deposited by cold spray technology on 316L stainless steel substrate as a potential plasma-facing material surface. High fluence low energy deuterium plasma irradiation experiments and subsequent thermal annealing cycles associated with thermal desorption spectrometry (TDS) demonstrated superior structural stability of the Ta coating. TDS experiments revealed the outgassing of deuterium (as measure of its retention) for cold spray Ta coatings to be three times higher than bulk Ta and two orders of magnitude greater than bulk polycrystalline W. X-ray photoelectron spectroscopy revealed evolution of oxidation states upon deuterium irradiation and a partial recovery of the metallic signature of Ta after the thermal treatment at 1100 K.

Physics↗

NASA NTRS2004

New Hydrophilic, Composite Membranes for Air Removal from Water Coolant Systems

Liquid coolants are commonly used as thermal transport media to increase efficiency and flexibility in aerospace vehicle design. The introduction of gas bubbles into the coolant can have negative consequences, including: loss of centrifugal pump prime, irregular sensor readings, and blockage of coolant flow to remote systems. One solution to mitigate these problems is the development of a passive gas removal device, or gas trap, installed in the flight cooling system. In this study, a new hydrophilic, composite membrane has been developed for passage of the coolant fluid and retention of gas bubbles. The trapped bubbles are subsequently vented from the system by a thin, hydrophobic, microporous membrane. The original design for this work employed a homogeneous membrane that was susceptible to fouling and pore plugging. Spare gas traps of this variety have degraded during storage, and recreation of the membranes has been complicated due to problems with polymer duplication and property variations in the final membranes. In this work, replacements have been developed based on deposition of a hydrophilic polymer on the bore-side of a porous polyethylene (PE) tube. The tube provides excellent chemical and mechanical stability, and the hydrophilic layer provides retention of gas bubbles. Preliminary results have shown that intimate contact is required between the deposited layer and the substrate to overcome material differences. This has been accomplished by presoaking the membrane tube in the solvent to raise its surface energy. Polymer solutions of various concentrations have been used to promote penetration of the polymer layer into the porous substrate and to control separation layer thickness. The resulting composite membranes have shown repeatable decrease in nitrogen permeability, which is indicative of a decrease in membrane pore size. Studies with water permeation have yielded similar results. We have observed some swelling of the added polymer layer, which causes a slight decrease in membrane pore size, and should result in improved bubble retention. Preliminary studies have also been performed on gas retention in flowing systems. Initial results have been promising, with negligible gas permeation for the coated membranes compared to 100% gas permeation in the uncoated tube.

Ritchie, Stephen M. C.↗

NASA NTRS1984

Solar energy converter using surface plasma waves

Sunlight is dispersed over a diffraction grating formed on the surface of a conducting film on a substrate. The angular dispersion controls the effective grating period so that a matching spectrum of surface plasmons is excited for parallel processing on the conducting film. The resulting surface plasmons carry energy to an array of inelastic tunnel diodes. This solar energy converter does not require different materials for each frequency band, and sunlight is directly converted to electricity in an efficient manner by extracting more energy from the more energetic photons.

Anderson, L. M.↗

NASA NTRS2021

Sputtering of Surfaces by Ion Irradiation: A Comparison of Molecular Dynamics and Binary Collision Approximation Models to Laboratory Measurements

We compare various sputtering simulation methods to experimental results in both the low energy (<1 keV) and high energy (≥1 keV) impact regimes for argon ions impacting a pure copper substrate at normal incidence. Our results indicate that for high energy impacts, both binary collision approximation (BCA) and molecular dynamics methods can be used to generate reasonable predictions for the yield and energy distribution of the sputtered atoms. We also find reasonable agreement between the theoretical and experimental results down to impact energies of 600 eV. However, at 200 eV impact energies, significant discrepancies appear between the experimental and theoretical ejecta energy distributions in the peak position, the width of the energy distribution, and the magnitude of the high energy tail. These discrepancies appear to arise from the experimental results being only for atoms sputtered normal to the substrate surface, whereas the theoretical results are integrated over all 2π solid angles above the surface. Using the BCA code SDTrimSP and limiting the results to only atoms emitted within ±15° of the surface normal brings theory and experiment into reasonable agreement. These results suggest that for low energy impacts, the energy distribution of sputtered atoms is highly dependent on the emission angle of the ejecta.

Solar wind↗

DOE OSTI2021

Molecular dopants: Tools to control the electronic structure of metal halide perovskite interfaces

In the standard configurations of metal halide perovskite solar cell, the active layer, or absorber, follows a p-i-n or n-i-p electronic structure that is designed to enhance the separation and extraction of photo-induced charge carriers. The control of the Fermi level position across the film, between electron and hole transport layers, is therefore of paramount importance. Direct localized doping in metal halide perovskites being still elusive, the design of n-i-p and p-i-n structures has so far relied predominantly on surface and interface doping of the perovskite as well as on the control of the work function of the substrate and transport layers on which, or between which, the absorber is being placed. We provide here a short review of that work, emphasizing the fundamental studies of electronic structure performed on systems modified with organic molecular dopants. The review starts with a justification for the effectiveness of interface doping, based on the ability to move the Fermi level across the gap of the perovskite. We then review work done on the deposition of molecular oxidants and reductants on perovskite surfaces, including the mitigation of the surface states, and the impact of these dopants on energy level alignment with substrate and charge transport layers. The second part of the review focuses on the use of molecular dopants to either modify the work function of electron or hole transport layers to establish the boundary conditions for a p-i-n or n-i-p structure, or to enhance the conductivity of these layers in order to facilitate charge carrier extraction. Final considerations are also given on recent work on bulk doping of the perovskite layer with molecular dopants.

14 SOLAR ENERGY↗

DOE OSTI2020

Evaluating the exfoliation of two-dimensional materials with a Green's function surface model

Previous methods for the evaluation of the exfoliation of two-dimensional (2D) layered materials have drawbacks in computational efficiency and are unable to describe cases with semi-infinite substrates. Based on a Green's function surface (GFS) model, here we develop an approach to efficiently determine the tendency of exfoliation of 2D materials from their bulk crystals or semi-infinite substrates. By constructing appropriate surface configurations, we may calculate the exfoliation energy more precisely and quickly than the traditional way with the slab model. Furthermore, the GFS approach can provide angle-resolved photoemission spectroscopy of surface systems for direct comparison with experimental data. In this work, our findings indicate that the GFS approach is powerful for studies of 2D materials and various surface problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Heat exchangers fabricated by additive manufacturing, related components, and related methods

A method of forming at least a component of a heat exchanger comprises introducing a feed material comprising a first portion including a matrix material and a second portion including a sacrificial material on a surface of a substrate, exposing at least the first portion to energy to form bonds between particles of the matrix material and form a first thickness of a structure, introducing additional feed material comprising the first portion over the first thickness of the structure, exposing the additional feed material to energy to form a second thickness of the structure, and removing the sacrificial material from the structure to form at least one channel in the structure. Related heat exchangers and components, and related methods are disclosed.

van Rooyen, Isabella J.↗

DOE OSTI2023

Methods of forming components of heat exchangers and methods of forming heat exchangers

van Rooyen, Isabella J.↗

NASA NTRS2000

A Coupled Plasma-Sheath Model for High Density Sources

High density, low pressure plasmas are used for etching and deposition in microelectronics fabrication processes. The process characteristics are strongly determined by the ion energy distribution (IED) and the ion flux arriving at the substrate that are responsible for desorption of etch products and neutral dissociation at the surface. The ion flux and energy are determined by a self- consistent modeling of the bulk plasma, where the ions and the neutral radicals are produced, and the sheath, where the ions are accelerated. Due to their widely different time scales, it is a formidable task to self-consistently resolve non-collisional sheath in a high density bulk plasma model. In this work, we first describe a coupled plasma-sheath model that attempts to resolve the non-collisional sheath in a reactor scale model. Second, we propose a semianalytical radio frequency (RF) sheath model to improve ion dynamics.

Bose, Deepak↗

DOE OSTI2024

Non-Equilibrium Synthesis of Semiconductor Alloys for Energy Applications

This project explores the synthesis under equilibrium/non-equilibrium conditions of semiconductor alloys critical to SSL to impose top-down influence on the formation of atomic-scale microstructures. A plasma-enhanced MOCVD (PE-MOCVD) technique is employed, in which plasma generated within the low-pressure reactor environment introduces additional energy that is delivered to the gas-phase reactants and growth surface, allowing relatively low substrate temperatures to be maintained, rapidly switching the crystal-growth environment into a non-equilibrium state. The project coordinates on-going work at National Renewable Energy Laboratory (NREL) that addresses order/disorder Al x In 1-x P (AlInP) confinement structures, which are predicted to surpass the power-conversion efficiency of current materials used for red/amber LEDs as components of so-called color-mixed LEDs, which integrate multiple LEDs in a single device for improved color rendering. Ordering, phase separation, and strain relaxation are central to this technology. During growth, each spontaneous process could be suppressed or enhanced on demand by application of plasma as an additional handle. This technique could have broader applications to other energy technologies, such as photovoltaics.

14 SOLAR ENERGY↗

DOE OSTI2020

Effect of Hydrophilicity and Interfacial Water Structure on Particle Attachment

Oriented attachment (OA) of nanoparticles is an important and common crystallization pathway. Efforts to isolate and quantify the interparticle forces that underlie OA have only recently been initiated and the role played by the interfacial solvent structure in the confined region between nanocrystal surfaces in enabling and controlling OA remains an open question. In this work, classical molecular dynamics (MD) simulations were performed to compute the free energy landscape of nanoparticles approaching mineral substrates in both vacuum and pure water. Periclase (MgO), muscovite (KAl 3 Si 3 O 10 (OH) 2 ), and pyrophyllite (Al 2 Si 4 O 10 (OH) 2 ) nanoparticles exposing the (100), (001), and (001) surfaces, respectively, were brought to contact with substrates exposing the same surfaces. These mineral surfaces were selected to investigate a range of hydrophilicities (periclase > muscovite > pyrophyllite). The MD simulations revealed that the interfacial water structure created free energy minima for nanoparticle approach that corresponded to integer numbers of intervening water layers. The depth of the free energy minima and the free energy barriers between minima correlated positively with the hydrophilicity of the mineral surface. While the range of solvent-mediated interactions was predicted to be short (a few intervening water layers at most for MgO), the free energy barriers were calculated to be large (fraction of an eV per nm 2 ) and the effect of misalignment diminished rapidly with the number of intervening water layers. The results help explain the formation of mesocrystals and the observed ability of nanoparticles to rotate before attachment while in a long-lived solvent-separated state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Structure and energetics of the elbows in the Au(111) herringbone reconstruction

We study the structure of the threading edge dislocations, or “elbows,” which are an essential component of the well-known herringbone reconstruction of the (111) surface of Au. Previous work had shown that these dislocations can be stabilized by long-range elastic relaxations into the bulk. However, the validity of the harmonic spring model that had been used to estimate the energies of the dislocations is uncertain. To enable a more refined model of the dislocation energetics, we have imaged the atomic structure of these dislocations using scanning tunneling microscopy. We find that the harmonic spring model does not adequately reproduce the observed structure. We are able to reproduce the structure, however, with a two-dimensional Frenkel-Kontorova (FK) model that uses a pairwise Morse potential to describe the interactions between the top layer Au atoms on a rigid substrate. The parameters of the potential were obtained by fitting the energy of uniaxially compressed phases, or “stripes”, computed with density functional theory, as a function of surface Au density. Within this model, the formation of the threading dislocations remains unfavorable. However, the large forces on the substrate atoms near the threading-dislocation cores, render the assumption of a completely rigid substrate questionable. Indeed, if the FK parameters are modified to account for the relaxation of just one more atomic layer, threading dislocations can, in principle, become favorable, even without bulk elastic relaxations. Additional evidence for a small elbow energy is that our computed change in the Au(111) surface stress tensor caused by the (√ 3 × 22) reconstruction is considerably smaller than previous estimates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2020

Lunar Dust Simulant Particle Adhesion on Copolyimide Alkyl Ethers

Mitigation of lunar dust contamination is one of the greatest challenges to be overcome to realize a sustained lunar presence. Likely solutions will integrate active mitigation strategies, requiring the input of external energy, and passive materials, exhibiting an intrinsic resistance to lunar dust adhesion. In this work, a series of copolyimide alkyl ethers containing per fluorinated side-chains were generated to evaluate the influence surface modification agents have on surface chemical, topographical, and mechanical properties. An expanded testing protocol to characterize the adhesion interaction between lunar dust simulant and the copolyimide substrate was carried out. The interfacial adhesion strength was in-situ measured by a custom-built particulate adhesion instrument, utilizing a sonic wand. Surface mechanical properties were characterized by nanoindentation, utilizing the continuous stiffness measurement approach. A nominal presence of surface modifying agents, 1 wt%, resulted in a six-fold reduction in adhesion strength of the interface. A strong inverse correlation between the adhesion strength and Young’s modulus of the substrate was identified. The reduction was attributed to a synergistic interaction between the surface energy, surface roughness, and modulus of the copolyimide alkyl ethers film.

Lunar Dust, Particulate Adhesion, Surface Migratio↗

NASA NTRS1971

Lubrication with sputtered MoS2 films.

Sputtered MoS2 films (2000-6500 A) were deposited on highly polished metal surfaces. These films have a low coefficient of friction (0.03-0.04) at speeds of 40-80 rpm and loads of 250-1000 grams. At loads of 250 grams the wear lives are over 0.5 million cycles, but at 1000 gram loads, it decreases to 38,000 cycles. Friction experiments and tensile tests have indicated that sputtered films have a strong adherence to metal surfaces. Electron transmission, diffraction and scanning electron microscopy show that these films have an extremely small particle size, less than 30 A in diameter, and are very dense and free from observable pinholes. The high kinetic energy of these sputtered species, the submicroscopic particle size and the sputter-etched substrate surface is responsible for strong adhesion and cohesion of the sputtered film.

Spalvins, T.↗

NASA NTRS2006

Effect of Composite Substrates on the Mechanical Behavior of Brazed Joints in Metal-Composite System

Advanced composite components are being considered for a wide variety of demanding applications in aerospace, space exploration, and ground based systems. A number of these applications require robust integration technologies to join dissimilar materials (metalcomposites) into complex structural components. In this study, three types of composites (C-C, C-SiC, and SiC-SiC) were vacuum brazed to commercially pure Ti using the active metal braze alloy Cusil-ABA (63Ag-35.3Cu-1.75Ti). Composite substrates with as fabricated and polished surfaces were used for brazing. The microstructure and composition of the joint, examined using scanning electron microscopy (SEM) coupled with energy dispersive spectroscopy (EDS), showed sound metallurgical bonding in all systems. The butt strap tensile (BST) test was performed on bonded specimens at room and elevated temperatures. Effect of substrate composition, interlaminar properties, and surface roughness on the mechanical properties and failure behavior of joints will be discussed.

Singh, M.↗

NASA NTRS1997

Doping Scheme in Atomic Chain Electronics

Due to the dramatic reduction in MOS size, there appear many unwanted effects. In these small devices, the number of dopant atoms in the channel is not macroscopic and electrons may suffer significantly different scattering from device to device since the spatial distribution of dopant atoms is no longer regarded as continuous. This prohibits integration, while it is impossible to control such dopant positions within atomic scale. A fundamental solution is to create electronics with simple but atomically precise structures, which could be fabricated with recent atom manipulation technology. All the constituent atoms are placed as planned, and then the device characteristics are deviation-free, which is mandatory for integration. Atomic chain electronics belongs to this category. Foreign atom chains or arrays form devices, and they are placed on the atomically flat substrate surface. We can design the band structure and the resultant Fermi energy of these structures by manipulating the lattice constant. Using the tight-binding theory with universal parameters, it has been predicted that isolated Si chains and arrays are metallic, Mg chains are insulating, and Mg arrays have metallic and insulating phases [1]. The transport properties along a metallic chain have been studied, emphasizing the role of the contact to electrodes [2]. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along die chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of pant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

Toshishige, Yamada↗

DOE OSTI2021

Sr and Co Vapor-Phase Transport from LSCF Cathodes

A series of tests were performed to differentiate between surface diffusion and vapor-phase diffusion of chemical species from LSCF cathode material at typical sintering temperatures (up to 1100°C) in SOFC production. A GDC source substrate was printed with LSCF and separated by an air gap from a YSZ target substrate. Various geometries with long surface paths were employed to reduce the possibility of surface transport. Sr and Co were detected on the target substrates via energy dispersive spectroscopy (EDS) and x-ray photoelectron spectroscopy (XPS), including spatially resolved XPS. These results support a vapor-phase transport mechanism for Sr and Co. Sintering conditions and barrier layer requirements may need to be revisited to prevent the formation of undesired strontium zirconate at cathode/electrolyte interface due to vapor-phase transport.

vapor phase transport, SOFC cathode, Sr transport↗

DOE OSTI2024

Planarizing Spalled GaAs(100) Surfaces by MOVPE Growth

III-V photovoltaic devices have demonstrated exceptional performance across various applications, with controlled crystal fracturing, known as controlled spalling, emerging as a promising method to reduce costs by enabling substrate reuse. Spalling GaAs(100) substrates, a commonly used substrate in III-V photovoltaics, results in faceted ridges that must be planarized to grow high-quality photovoltaic devices. Here, in this study, we demonstrate that a GaAs(100) wafer offcut toward [$0\bar{11}$] and spalled toward [$011$] can be efficiently planarized by growing C:GaAs by metal-organic vapor phase epitaxy (MOVPE) on the surface, with up to 95% of the nominally deposited material used to fill the valleys between ridges. We find that reducing the offcut to 2° enhances the planarizing capability of C:GaAs. A surface morphology model indicates that the density of surface dangling bonds significantly influences the growth evolution of undoped GaAs surfaces. In contrast, the model suggests that the effectiveness of C:GaAs as a smoothing layer stems from modifying the atomic surface structure and, consequently, the associated sticking coefficients of the facets, which can alter the evolution of surface morphology. Our findings provide guidelines for the epitaxial planarization of semiconductor surfaces and improve the understanding of MOVPE growth on nonplanar surfaces.

14 SOLAR ENERGY↗