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At least 127 records · Page 7

ORNL/Thermo4PFM

Library to compute equilibrium compositions and equal chemical potential compositions in binary and ternary alloys. This library supports thermodynamic data formulated according to CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) models, as well as dilute binary alloys. One major aim is to solve the Kim-Kim-Suzuki (KKS) equations to obtain local compositions given a local mixture of two phases. These quantities are then used to evaluate the phase-field model driving force (right handside of time-evolution equation), as well as the energy density

Fattebert, Jean-Luc↗

Analysis of Crystalline Defects Caused by Growth on Partially Planarized Spalled (100) GaAs Substrates

We analyze the effect of growth on non-(100) surfaces resulting from incomplete planarization of spalled GaAs wafers on the defect structure of GaAs solar cell layers grown by hydride vapor phase epitaxy (HVPE). Controlled spalling of (100)-oriented GaAs has the potential to reduce substrate costs for III-V epitaxy; however, it creates regularly faceted surfaces that may complicate the growth of high-quality III-V optoelectronic devices. We leverage the anisotropic growth rate of HVPE to planarize these faceted GaAs substrates, reducing the surface roughness and degree of faceting. We observe degraded solar cell performance and material quality in sample areas where facets are not completely removed. We used dark lock-in thermography and photoluminescence to identify recombination in areas that were not fully planarized. We used cathodoluminescence to identify the presence of extended defects in these regions, which are correlated with bandgap fluctuations in the material. We hypothesize that these defects were created by strain from compositional fluctuations in ternary alloys grown on the faceted surfaces. This work elucidates the potential issues of solar cells grown on faceted surfaces and builds understanding toward realizing high performance III-V photovoltaics with the cost-reduction potential of controlled spalling.

14 SOLAR ENERGY↗

Design and Performance of an InAs Quantum Dot Scintillator with Integrated Photodetector

A new scintillation material composed of InAs quantum dots (QDs) hosted within a GaAs matrix was developed, and its performance with different types of radiation is evaluated. A methodology for designing an integrated photodetector (PD) with a low defect density and that is optically matched to the QD’s emission spectrum is introduced, utilizing an engineered epitaxial InAlGaAs metamorphic buffer layer. The photoluminescence (PL) collection efficiency of the integrated PD is examined using two-dimensional scanning laser excitation. The detector response to 5.5 MeV α-particles and 122 keV photons is presented. Yields of 13 electrons/keV for α-particles and 30–60 electrons/keV for photons were observed. The energy resolution of 12% observed with α-particles was mainly limited by noise- and geometry-related optical losses. The radiation hardness of an InAs QDs hosted within GaAs and a wider band gap AlGaAs ternary alloy was studied under a 1 MeV proton implantation up to a 10 14 cm –2 dose. The integrated PL responses were compared to evaluate PL quenching due to non-radiative defects. The QDs embedded in the AlGaAs demonstrated improved radiation hardness compared to QDs in the GaAs matrix and in the InGaAs quantum wells.

36 MATERIALS SCIENCE↗

High temperature superconductor NB3Ga

The discovery of superconductivity at 20.3 K in the Nb-Ga system by applying chemical vapor deposition (CVD) techniques to the materials preparation problem is reported. Films on ceramic substrates have been grown with superconducting onsets of up to 20.3 K. Critical fields at 4.2 K in excess of 300 kG and alpha's of 1100,000 T-A/sq cm have been obtained. The results confirm that the outstanding properties of Nb-Ga are due to an equilibrium configuration of the system, namely, the stoichiometric A-15 compound Nb3Ga, which is stable at relatively low temperatures. Practical materials preparation problems center on the codeposition of an adjacent Nb5Ga3 phase and the requirement that the deposition temperature be low. Some ternary alloys were also prepared, with part of the Ga replaced by Sn, Sb, Al, or Ge.

Vieland, L. J.↗

A theoretical study of heterojunction and graded band gap type solar cells

A computer program was designed for the analysis of variable composition solar cells and applied to several proposed solar cell structures using appropriate semiconductor materials. The program simulates solar cells made of a ternary alloy of two binary semiconductors with an arbitrary composition profile, and an abrupt or Gaussian doping profile of polarity n-on-p or p-on-n with arbitrary doping levels. Once the device structure is specified, the program numerically solves a complete set of differential equations and calculates electrostatic potential, quasi-Fermi levels, carrier concentrations and current densities, total current density and efficiency as functions of terminal voltage and position within the cell. These results are then recorded by computer in tabulated or plotted form for interpretation by the user.

Sutherland, J. E.↗

Chemical vapor deposition of high T sub c superconductors

The results are reported of an investigation into the synthesis and properties of high temperature superconducting materials. A chemical vapor deposition apparatus was designed and built which is suitable for the preparation of multicomponent metal films This apparatus was used to prepare a series of high T sub c A-15 structure superconducting films in the binary system Nb-Ge. The effect on T sub c of a variety of substrate materials was investigated. An extensive series of ternary alloys were also prepared. Conditions allowing the brittle high T sub c (approximately 18 K) A-15 structure superconductor Nb3A1 to be prepared in a low T sub c but ductile form were found. Some of the ways that the ductile (bcc) form can be cold worked or machined are described. Measurements of rate of transformation of cold worked bcc material to the high T sub c A-15 structure with low temperature annealing are given. Preliminary measurements indicate that this material has attractive high field critical current densities.

Webb, G. W.↗

Determination of the Fe-rich portion of the Fe-Ni-C phase diagram

The iron-enriched section of the phase diagram for the ternary alloy Fe-Ni-C of various compositions is determined at 773, 873, 923, and 1003 C. The two-phase tie lines and three-phase tie triangles are measured by electron microprobe analyses. Tie lines in samples without bulk equilibrium are obtained by extrapolated interface compositions under the assumption of local equilibrium at the interface. It is shown that Ni addition somewhat reduces carbon solubility in austenite while decreasing the stability of the carbide phase. In particular, the carbide is always poor in Ni relative to the coexisting metal phase(s).

Romig, A. D., Jr.↗

p-n junction formation in InSb and InAs(1-x)Sb(x) by metalorganic chemical vapor deposition

p-n junctions have been fabricated in InSb and InAs(1-x)Sb(x)(0.4 less than x less than 0.7) using metalorganic chemical vapor deposition. These junctions showed soft breakdown in addition to forward characteristics with a diode factor greater than 2. The ternary alloy has a cut-off wavelength in the 8-11-micron range, thus providing a potential material system for detectors covering the 8-12-micron range.

Chiang, P. K.↗

Flexible storage medium for write-once optical tape

A write-once data storage media was developed which is suitable for optical tape applications. The media is manufactured using a continuous film process to deposit a ternary alloy of tin, bismuth, and copper. This laser sensitive layer is sputter deposited onto commercial plastic web as a single-layer thin film. A second layer is sequentially deposited on top of the alloy to enhance the media performance and act as an abrasion resistant hard overcoat. The media was observed to have laser write sensitivities of less than 2.0 njoules/bit, carrier-to-noise levels of greater than 50dB's, modulation depths of approximately 100 percent, read-margins of greater than 35, uniform grain sizes of less than 200 Angstroms, and a media lifetime that exceeds 10 years. Prototype tape media was produced for use in the CREO drive system. The active and overcoat materials are first sputter deposited onto three mil PET film in a single pass through the vacuum coating system, and then converted down into multiple reels of 35mm x 880m tape. One mil PET film was also coated in this manner and then slit and packaged into 3480 tape cartridges.

Strandjord, Andrew J. G.↗

Numerical Modeling of High-Temperature Corrosion Processes

Numerical modeling of the diffusional transport associated with high-temperature corrosion processes is reviewed. These corrosion processes include external scale formation and internal subscale formation during oxidation, coating degradation by oxidation and substrate interdiffusion, carburization, sulfidation and nitridation. The studies that are reviewed cover such complexities as concentration-dependent diffusivities, cross-term effects in ternary alloys, and internal precipitation where several compounds of the same element form (e.g., carbides of Cr) or several compounds exist simultaneously (e.g., carbides containing varying amounts of Ni, Cr, Fe or Mo). In addition, the studies involve a variety of boundary conditions that vary with time and temperature. Finite-difference (F-D) techniques have been applied almost exclusively to model either the solute or corrodant transport in each of these studies. Hence, the paper first reviews the use of F-D techniques to develop solutions to the diffusion equations with various boundary conditions appropriate to high-temperature corrosion processes. The bulk of the paper then reviews various F-D modeling studies of diffusional transport associated with high-temperature corrosion.

Nesbitt, James A.↗

Low Temperature Photoluminescence Characterization of Orbitally Grown CdZnTe

The II-VI ternary alloy CdZnTe is a technologically important material because of its use as a lattice matched substrate for HgCdTe based devices. The increasingly stringent requirements on performance that must be met by such large area infrared detectors also necessitates a higher quality substrate. Such substrate material is typically grown using the Bridgman technique. Due to the nature of bulk semiconductor growth, gravitationally dependent phenomena can adversely affect crystalline quality. The most direct way to alleviate this problem is by crystal growth in a reduced gravity environment. Since it requires hours, even days, to grow a high quality crystal, an orbiting space shuttle or space station provides a superb platform on which to conduct such research. For well over ten years NASA has been studying the effects of microgravity semiconductor crystal growth. This paper reports the results of photoluminescence characterization performed on an arbitrary grown CdZnTe bulk crystal.

Ritter, Timothy M.↗

Coating MCPs with AlN and GaN

A development effort underway at the time of reporting the information for this article is devoted to increasing the sensitivity of microchannel plates (MCPs) as detectors of photons and ions by coating the MCPs with nitrides of elements in period III of the periodic table. Conventional MCPs are relatively insensitive to slowly moving, large-mass ions for example, ions of biomolecules under analysis in mass spectrometers. The idea underlying this development is to coat an MCP to reduce its work function (decrease its electron affinity) in order to increase both (1) the emission of electrons in response to impingement of low-energy, large-mass ions and (2) the multiplying effect of secondary electron emission. Of particular interest as coating materials having appropriately low or even negative electron affinities are gallium nitride, aluminum nitride, and ternary alloys of general composition Al(x)Ga(1-x)N (where 0<x<1). These materials exhibit attractively high degrees of chemical, mechanical, and thermal stability plus acceptably high resistance to sputtering. The electron-excitation cross sections of these materials are expected to exceed those of several other materials (including diamond) that are, variously, in use or under development for the same purpose. Moreover, by doping these materials with silicon, one can render them partly electrically conductive, thereby suppressing the undesired accumulation of electric charge that could otherwise occur during bombardment by ions. For experiments, thin films of AlN and GaN both undoped and doped with Si were deposited on commercial MCPs by radio-frequency molecular-beam epitaxy (also known as plasma-assisted molecular-beam epitaxy) at temperatures <200 C. This deposition technique is particularly suitable because (1) MCPs cannot withstand the higher deposition-substrate temperatures used to decompose constituent compounds in some other deposition techniques and (2) in this technique, the constituent Al, Ga, and N are supplied in elemental form, so that there is no need for thermal decomposition at the substrate surface. The nitride films thus formed were, variously, amorphous or polycrystalline. The nitride films were coated with surface layers of gold <100 thick. The MCPs were tested in a standard configuration in which the output stage of a first MCP was coupled to the input stage of a second MCP. Each pair of MCPs was mounted in a standard holder that included front and back contact rings and an anode for collecting the output electrons of the second MCP. The MCP pairs were biased at potentials between 1.7 and 1.9 kV, and count rates measured after preamplification and discrimination. To enable a direct comparison, in one pair, the second MCP was uncoated while the first MCP was coated over half its surface. The coated and uncoated sides of the half-coated MCP were exposed to fluxes of argon ions at kinetic energies of 1.0 and 0.5 keV. At 1.0 keV, the count rate for the coated side was about 2.3 times greater than that for the uncoated side; at 0.5 keV, the count rate for the coated side was about 1.8 times greater than that for the uncoated side.

Bensaoula, Abdelhakim↗

GaN-Based Detector Enabling Technology for Next Generation Ultraviolet Planetary Missions

The ternary alloy AlN-GaN-InN system provides several distinct advantages for the development of UV detectors for future planetary missions. First, (InN), (GaN) and (AlN) have direct bandgaps 0.8, 3.4 and 6.2 eV, respectively, with corresponding wavelength cutoffs of 1550 nm, 365 nm and 200 nm. Since they are miscible with each other, these nitrides form complete series of indium gallium nitride (In(sub l-x)Ga(sub x)N) and aluminum gallium nitride (Al(sub l-x)Ga(sub x)N) alloys thus allowing the development of detectors with a wavelength cut-off anywhere in this range. For the 2S0-365 nm spectral wavelength range AlGaN detectors can be designed to give a 1000x solar radiation rejection at cut-off wavelength of 325 nm, than can be achieved with Si based detectors. For tailored wavelength cut-offs in the 365-4S0 nm range, InGaN based detectors can be fabricated, which still give 20-40x better solar radiation rejection than Si based detectors. This reduced need for blocking filters greatly increases the Detective Quantum efficiency (DQE) and simplifies the instrument's optical systems. Second, the wide direct bandgap reduces the thermally generated dark current to levels allowing many observations to be performed at room temperature. Third, compared to narrow bandgap materials, wide bandgap semiconductors are significantly more radiation tolerant. Finally, with the use of an (AI, In)GaN array, the overall system cost is reduced by eliminating stringent Si CCD cooling systems. Compared to silicon, GaN based detectors have superior QE based on a direct bandgap and longer absorption lengths in the UV.

Aslam, S.↗

High performance earth-abundant electrocatalysts for hydrogen evolution reaction and other reactions

Electrodes for catalyzing electrochemical reactions (e.g., the hydrogen evolution reaction) are provided. The electrode may comprise a ternary pyrite-phase transition metal phosphochalcogenide (e.g., CoPS) disposed on a substrate, wherein the ternary pyrite-phase transition metal phosphochalcogenide is a solid material of a ternary compound of a transition metal, phosphorous (P), and a chalcogen, the solid material characterized by a substantially single, ternary alloy phase having a pyrite crystal structure. Methods of using and making the electrodes are also provided.

Jin, Song↗

Ab Initio Simulations of Martensitic Phase Transformations in NiTi-based High Temperature Ternary Shape Memory Alloys: NiTiHf and NiTiZr

Ab initio simulations of phase stability and martensitic phase transitions are performed for NiTi-based ternary shape memory alloys (SMAs). Specifically, we considered NiTiHf and NiTiZr, which are highly studied for high temperature SMA applications. Previously, we performed investigations of ordered NiTi and related binaries [1,2]. However, similar approaches for chemically disordered compounds present additional difficulties. In this work, special quasi-random structures (SQS) were generated for various compositions, x∈[0,0.5], of Ni0.5Ti(0.5-x)Hfx and Ni0.5Ti(0.5-x)Zrx to capture chemical disorder of off-stoichiometric compounds. Phase stability was evaluated through analysis of finite temperature phonon spectra using temperature dependent effective potential (TDEP) method. Free energies for the cubic B2 phase of NiTiHf and NiTiZr were computed using ab initio thermodynamic integration (AITI) developed previously [1,2]. Free energies for monoclinic B19’ and orthorhombic B33 phases were evaluated via quasi harmonic approximations (QHA). Our results show a critical composition (xc) where the three phases of B2, B19’ and B33 meet, i.e. there is a tri-critical point. For x xc, the transition is between B33 and B2, i.e. it is not a shape memory transition. The approach presented here opens the door to ab initio based predictions of MTT for arbitrary ternary SMAs.

Hessam Malmir↗

Site Occupancy of Ternary Additions to B2 Alloys

In this broad-based survey study, the substitutional site preference of ternary alloying additions to B2 compounds (stable at room temperature and 50/50 composition) is determined using the Bozzolo-Ferrante-Smith (BFS) method for alloys. The method is applied to Ni, Al, Ti, Cr, Cu, Co, Fe, Ta, Hf, Mo, Nb, W, V and Ru additions to NiAl, FeAl, CoAl, CoFe, CoHf, CoTi, FeTi, RuAl, RuSi, RuHf, RuTi, and RuZr. The results are compared, when available, to experimental data and other theoretical results.

Bozzolo, Guillermo H.↗

Structure and creep rupture properties of directionally solidified eutectic gamma/gamma-prime-alpha alloy

A simple ternary gamma/gamma-prime-alpha alloy of nominal composition (wt-%) Ni-32Mo-6Al has been directionally solidified at 17 mm/h and tested in creep rupture at 1073, 1173, and 1273 K. A uniform microstructure consisting of square-shaped Mo fibers in a gamma + gamma-prime matrix was found despite some variation in the molybdenum and aluminum concentrations along the growth direction. Although the steady-state creep rate is well described by the normal stress temperature equation, the stress exponent (12) and the activation energy (580 kJ/mol) are high. The rupture behavior is best characterized by the Larson-Miller parameter where the constant equals 20.

Whittenberger, J. D.↗