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At least 163 records · Page 9

Simulation of the temperature distribution in crystals grown by Czochralski method

Production of perfect crystals, free of residual strain and dislocations and with prescribed dopant concentration, by the Czochralski method is possible only if the complex, interacting phenomena that affect crystal growth in a Cz-puller are fully understood and quantified. Natural and forced convection in the melt, thermocapillary effect and heat transfer in and around the crystal affect its growth rate, the shape of the crystal-melt interface and the temperature gradients in the crystal. The heat transfer problem in the crystal and between the crystal and all other surfaces present in the crystal pulling apparatus are discussed at length. A simulation and computer algorithm are used, based on the following assumptions: (1) only conduction occurs in the crystal (experimentally determined conductivity as a function of temperature is used), (2) melt temperature and the melt-crystal heat transfer coefficient are available (either as constant values or functions of radial position), (3) pseudo-steady state is achieved with respect to temperature gradients, (4) crystal radius is fixed, and (5) both direct and reflected radiation exchange occurs among all surfaces at various temperatures in the crystal puller enclosure.

Dudokovic, M. P.↗

EBIC investigation of hydrogenation of crystal defects in EFG solar silicon ribbons

Changes in the contrast and resolution of defect structures in 205 Ohm-cm EFG polysilicon ribbon subjected to annealing and hydrogenation treatments were observed in a JEOL 733 Superprobe scanning electron microscope, using electron beam induced current (EBIC) collected at an A1 Schottky barrier. The Schottky barrier was formed by evaporation of A1 onto the cleaned and polished surface of the ribbon material. Measurement of beam energy, beam current, and the current induced in the Schottky diode enabled observations to be quantified. Exposure to hydrogen plasma increased charge collection efficiency. However, no simple causal relationship between the hydrogenation and charge collection efficiency could be inferred, because the collection efficiency also displayed an unexpected thermal dependence. Good quality intermediate-magnification (1000X-5400X) EBIC micrographs of several specific defect structures were obtained. Comparison of grown-in and stress-induced dislocations after annealing in vacuum at 500 C revealed that stress-induced dislocations are hydrogenated to a much greater degree than grown-in dislocations. The theoretical approximations used to predict EBIC contrast and resolution may not be entirely adequate to describe them under high beam energy and low beam current conditions.

Sullivan, T.↗

Environmental fatigue of an Al-Li-Cu alloy. Part 3: Modeling of crack tip hydrogen damage

Environmental fatigue crack propagation rates and microscopic damage modes in Al-Li-Cu alloy 2090 (Parts 1 and 2) are described by a crack tip process zone model based on hydrogen embrittlement. Da/dN sub ENV equates to discontinuous crack advance over a distance, delta a, determined by dislocation transport of dissolved hydrogen at plastic strains above a critical value; and to the number of load cycles, delta N, required to hydrogenate process zone trap sites that fracture according to a local hydrogen concentration-tensile stress criterion. Transgranular (100) cracking occurs for process zones smaller than the subgrain size, and due to lattice decohesion or hydride formation. Intersubgranular cracking dominates when the process zone encompasses one or more subgrains so that dislocation transport provides hydrogen to strong boundary trapping sites. Multi-sloped log da/dN-log delta K behavior is produced by process zone plastic strain-hydrogen-microstructure interactions, and is determined by the DK dependent rates and proportions of each parallel cracking mode. Absolute values of the exponents and the preexponential coefficients are not predictable; however, fractographic measurements theta sub i coupled with fatigue crack propagation data for alloy 2090 established that the process zone model correctly describes fatigue crack propagation kinetics. Crack surface films hinder hydrogen uptake and reduce da/dN and alter the proportions of each fatigue crack propagation mode.

Piascik, Robert S.↗

Creep behavior of copper at intermediate temperatures. II - Surface microstructural observations. III - A comparison with theory

Three different types of microstructural slip features are noted to occur during the creep of Cu at 0.46-0.72 of absolute melting point. While single slip is associated with higher temperatures and lower stresses, complex wavy slip features are observed at higher temperatures and higher stresses as well as with increasing strains: suggesting the importance of cross-slip mechanisms. At lower temperatures and higher stresses the multiple-slip morphologies observed indicate that cross-slip mechanisms may control the creep of polycrystalline Cu only over a limited stress and temperature range. A phenomenological model is proposed which assumes that (1) cell boundaries within subgrains act as both sources of, and obstacles to, gliding dislocations, and (2) dislocation annihilation occurs at the cell boundaries by climb and cross-slip.

Raj, S. V.↗

Crack Growth Behavior in the Threshold Region for High Cycle Fatigue Loading

This paper describes the results of a research program conducted to improve the understanding of fatigue crack growth rate behavior in the threshold growth rate region and to answer a question on the validity of threshold region test data. The validity question relates to the view held by some experimentalists that using the ASTM load shedding test method does not produce valid threshold test results and material properties. The question involves the fanning behavior observed in threshold region of da/dN plots for some materials in which the low R-ratio data fans out from the high R-ratio data. This fanning behavior or elevation of threshold values in the low R-ratio tests is generally assumed to be caused by an increase in crack closure in the low R-ratio tests. Also, the increase in crack closure is assumed by some experimentalists to result from using the ASTM load shedding test procedure. The belief is that this procedure induces load history effects which cause remote closure from plasticity and/or roughness changes in the surface morphology. However, experimental studies performed by the authors have shown that the increase in crack closure is a result of extensive crack tip bifurcations that can occur in some materials, particularly in aluminum alloys, when the crack tip cyclic yield zone size becomes less than the grain size of the alloy. This behavior is related to the high stacking fault energy (SFE) property of aluminum alloys which results in easier slip characteristics. Therefore, the fanning behavior which occurs in aluminum alloys is a function of intrinsic dislocation property of the alloy, and therefore, the fanned data does represent the true threshold properties of the material. However, for the corrosion sensitive steel alloys tested in laboratory air, the occurrence of fanning results from fretting corrosion at the crack tips, and these results should not be considered to be representative of valid threshold properties because the fanning is eliminated when testing is performed in dry air.

Forman, R. G.↗

Crack Growth Behavior in the Threshold Region for High Cycle Fatigue Loading

The research results described in this paper presents a new understanding of the behavior of fatigue crack growth in the threshold region. It is believed by some crack growth experts that the ASTM load shedding test method does not produce true or valid threshold properties. The concern involves the observed fanning of threshold region da/dN data plots for some materials in which the low R-ratio data fans out or away from the high R-ratio data. This data fanning or elevation of threshold values is obviously caused by an increase in crack closure in the low R-ratio tested specimens. This increase in crack closure is assumed by some investigators to be caused by a plastic wake on the crack surfaces that was created during the load shedding test phase. This study shows that the increase in crack closure is the result of an extensive occurrence of crack bifurcation behavior in some materials, particularly in aluminum alloys, when the crack tip cyclic yield zone size becomes less than the grain size of the alloy. This behavior is related to the high stacking fault energy (SFE) property of aluminum alloys which results in easier slip characteristics. Therefore, the particular fanning behavior in aluminum alloys is a function of intrinsic dislocation property of the materials and that the fanned data represents valid material properties. However, for corrosion sensitive steel alloys used in this study the fanning was caused by a build-up of iron oxide at the crack tip from fretting corrosion.

Forman, Royce G.↗

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗

Deformation and fracture of a directionally solidified NiAl-28Cr-6Mo eutectic alloy

A directionally solidified alloy based on the NiAl-(Cr, Mo) eutectic was examined by transmission and scanning electron microscopy to characterize the microstructure and room temperature deformation and fracture behavior. The microstructure consisted of a lamellar morphology with a group of zone axes (111) growth direction for both the NiAl and (Cr, Mo) phases. The interphase boundary between the eutectic phases was semicoherent and composed of a well-defined dislocation network. In addition, a fine array of coherent NiAl precipitates was dispersed throughout the (Cr, Mo) phase. The eutectic morphology was stable at 1300 K with only coarsening of the NiAl precipitates occurring after heat treatment for 1.8 ks (500 h). Fracture of the aligned eutectic is characterized primarily by a crack bridging/renucleation mechanism and is controlled by the strength of the semicoherent interface between the two phases. However, contributions to the toughness of the eutectic may arise from plastic deformation of the NiAl phase and the geometry associated with the fracture surface.

Chen, X. F.↗

Growth of (101) Faces of Tetragonal Lysozyme Crystals: Determination of the Growth Mechanism

Measurements of the macroscopic growth rates of the (101) face of tetragonal lysozyme crystals indicate an unusual dependence on the supersaturation (Forsythe, Nadarajah & Pusey, 1998), similar to that observed for the (110) face. As done before for the (110) face, in this study the surface packing arrangement for the (101) face was constructed, based on earlier microscopic observations and theoretical analysis of the internal molecular packing. This allowed the minimum growth unit for this face to be identified as a tetramer corresponding to a single turn of helices centered about the 4(sub 3) axes, and the minimum growth step to be of unimolecular height. A macroscopic mathematical model for the growth of the (101) face was developed, based on the formation of aggregate growth units in solution and the addition of a unit to the crystal face by dislocation and two-dimensional nucleation mechanisms. The calculations showed that the best fits were obtained for tetramer or octamer growth units in this model, indicating that average size of the growth unit participating in the growth process was between these two sizes.

Li, Meirong↗

Experiment 1: Orbital Processing of High-Quality Zn-Alloyed CdTe Compound Semiconductors

Zinc-alloyed cadmium telluride (Zn:CdTe) crystals were grown in unit gravity and in microgravity for comparative analysis. Two crystals were grown on USML-1/STS-50 in 1992, and two additional crystals were grown on USML-2/STS-73 in 1995. The Crystal Growth Furnace (CGF) in the seeded Bridgman-Stockbarger crystal growth geometry was utilized on both missions. Crystals grown on USML-1/STS-50 were found to have solidified with partial wall contact due to the near-absence of the hydrostatic pressure in microgravity, a residual g-vector that was not axial, and the nonwetting sample/ampoule wetting conditions. Crystals grown on USML-2/STS-73 included: a sample/ampoule identical to the USML-1/STS-73 sample/ampoule, with the addition of a restraining spring to simulate hydrostatic pressure internally, and a tapered ampoule which accomplished 2.2 cm of crystal growth without wall contact. Infrared transmission of all ground and flight samples was found to be 63-66 percent, very close to the theoretical 66 percent, suggesting good stoichiometric control. Infrared microscopy confirmed that the primary precipitates were Te and their size (1-10 microns) and density suggested that the flight- and ground-base samples experienced similar thermal histories. Longitudinal macrosegregation, calculated using scaling analysis, was predicted to be low. Nearly diffusion controlled growth was achieved even in unit gravity and macrosegregation data could be fit with a diffusion controlled model. Radial segregation was monitored and was found to vary with fraction solidified, particularly through the shoulder region, where the sample cross section was varying significantly. It was also disturbed in the flight samples in regions where asymmetric wall contact was noted. In regions where a steady state was established, the radial segregation was invariant within our experimental measurement error. Flight samples were found to be much higher in structural perfection than samples processed in unit gravity under identical growth conditions. In regions where solidification had occurred without wall contact, the free surfaces evidenced virtually no twinning, although twins appeared in the flight samples in regions of wall contact and were pervasive in the ground samples. These results were confirmed using optical microscopy and synchrotron x-ray white beam topography. Full-width half-maximum rocking curve widths (FWHM), recorded in arc-seconds, were significantly reduced from 20 a-s (1 g) to 9 a-s (micro-g) for the best regions of the crystals. The 9 a-s (FWHM) rocking curve value in the unconfined flight samples equals the best value reported terrestrially for this material. The ground samples exhibited a fully developed (111)[110] dislocation mosaic structure, whereas dislocations within the flight samples were discrete and no mosaic structure was evident. The defect density was quantitatively reduced from 75,000 (1 g) to 800 (micro-g) +/-50 percent. Dislocation etch pit density results were confirmed using transmission synchrotron white beam and monochromated beam topography. The low defect density is thought to have resulted from the near absence of hydrostatic pressure, which allowed the molten boule to solidify with little or no wall contact. This minimized the transfer of hoop stresses during solidification and post-solidification processing.

Larson, D. J., Jr.↗

Hypervelocity Dust Impact in Olivine: Fib/Tem Characterization and Comparison of Experimental and Natural Microcraters

The flux of objects impacting the surfaces of solar system airless bodies is dominated by micrometeoroids less than 1 mm diameter whose impact effects play a major role in the space weathering of airless body surfaces. To obtain better understanding of how small scale impact effects vary as a function of impact speed in an important lunar and asteroidal mineral, we produced artificial microcraters in San Carlos olivine using Fe metal dust particles 0.10 to 5 µm in diameter electrostatically accelerated to speeds between 0.35 to 25 km s-1. The crater morphologies, size distrrubiton and microstruc-tures were characterized by field-emission SEM (FE-SEM) and also by FIB cross sectioning of selected craters for field-emission scanning transmission electron microscopy (FE-STEM). These same techniques were also applied to study a natural 20 µm-diameter microcrater in a olivine grain on the surface of lunar rock 12075. Measured microcrater diameters in the experimental sample range between 0.20 to 5 µm with larger craters having more irregular outlines dominated by spallation fractures. FE-SEM and FE-STEM imaging docu-ment the formation of shock melt in the size population of experimental craters below approximately 1 µm in diameter, corresponding to particle impact speeds in the 10-25 km s-1 range. The natural olivine crater exhibits similar shock melt features along the perimeter of its cavity, but the shock melt also contains nanophase Fe metal particles, something not observed in the experimental samples. FE-STEM imaging of the experimental craters reveals complex shock-generated dislocation and nanofracture microstructures in zones extend-ing 1-2 µm into the olivine from the crater cavity. The natural microcrater shows a lower density of shock-generated disloca-tions that extends a factor of 2 deeper into the the olivine than in the experimental samples.

Roy Gray Christoffersen↗

Behavior of Particle Depots in Molten Silicon During Float-Zone Growth in Strong Static Magnetic Fields

In the photovoltaics industry, the largest market share is represented by solar cells made from multicrystalline silicon, which is grown by directional solidification. During the growth process, the silicon melt is in contact with the silicon nitride coated crucible walls and the furnace atmosphere which contains carbon monoxide. The dissolution of the crucible coating, the carbon bearing gas, and the carbon already present in the feedstock, lead to the precipitation of silicon carbide, and silicon nitride, at later stages of the growth process. The precipitation of Si3N4 and SiC particles of up to several hundred micrometers in diameter leads to severe problems during the wire sawing process for wafering the ingots. Furthermore the growth of the silicon grains can be negatively influenced by the presence of particles, which act as nucleation sources and lead to a grit structure of small grains and are sources for dislocations. If doped with Nitrogen from the dissolved crucible coating, SiC is a semi conductive material, and can act as a shunt, short circuiting parts of the solar cell. For these reasons, the incorporation of such particles needs to be avoided. In this contribution we performed model experiments in which the transport of intentionally added SiC particles and their interaction with the solid-liquid interface during float zone growth of silicon in strong steady magnetic fields was investigated. SiC particles of 7μm and 60μm size are placed in single crystal silicon [100] and [111] rods of 8mm diameter. This is achieved by drilling a hole of 2mm diameter, filling in the particles and closing the hole by melting the surface of the rod until a film of silicon covers the hole. The samples are processed under a vacuum of 1x10(exp -5) mbar or better, to prevent gas inclusions. An oxide layer to suppress Marangoni convection is applied by wet oxidation. Experiments without and with static magnetic field are carried out to investigate the influence of melt convection on the distribution of particles and their incorporation into the crystal. The field strengths applied by a superconducting magnet are 1T, 3T, 4.5T, and 5T. The increase in field strength dampens the melt flow, and so this study provides comparative data to the crystal growth experiment to be carried out onboard the sounding rocket mission TEXUS 51, where purely diffusive growth condition will be achieved under microgravity conditions.

Jauss, T.↗

Effects of Mars Atmosphere on Arc Welds: Phase 2

Gas tungsten arc welding (GTAW) is a vital fusion welding process widely used throughout the aerospace industry. Its use may be critical for the repair or manufacture of systems, rockets, or facilities on the Martian surface. Aluminum alloy AA2219-T87 and titanium alloy Ti-6Al-4V butt welds have been investigated for weldability and weld properties in a simulated Martian gas environment. The resulting simulated Martian welds were compared to welds made in a terrestrial atmosphere, all of which used argon shielding gas. It was found that GTAW is a process that may be used in a Martian gas environment, not accounting for pressure and gravitational effects, as long as adequate argon shielding gas is used to protect the weld metal. Simulated Martian welds exhibited higher hardness in all cases and higher tensile strength in the case of AA2219-T87. This has been attributed to the absorption of carbon into the fusion zone, causing carbide precipitates to form. These precipitates may act to pin dislocations upon tensile testing of AA2219-T87. Dissolved carbon may have also led to carburization, which may have caused the increase in hardness within the fusion zone of the welds. Based on the results of this experiment and other similar experiments, GTAW appears to be a promising process for welding in a Martian gas environment. Additional funding and experimentation is necessary to determine the effects of the low pressure and low gravity environment found on Mars on GTAW.

Courtright, Z. S.↗

Collisional Histories of Comets and Trojan Asteroids: Diopside, Magnesite, and Fayalite Impact Studies

Comets and asteroids have weathered dynamic histories, as evidenced by their rough surfaces. The Nice model describes a violent reshuffling of small bodies during the Late Heavy Bombardment, with collisions acting to grind these planetesimals away. This creates an additional source of impact material that can re-work the surfaces of the larger bodies over the lifetime of the solar system. Here, we investigate the possibility that signatures due to impacts (e.g. from micrometeoroids or meteoroids) could be detected in their spectra, and how that can be explained by the physical manifestation of shock in the crystalline structure of minerals. All impact experiments were conducted in the Johnson Space Center Experimental Impact Laboratory using the vertical gun. Impact speeds ranged from approx.2.0 km/s to approx.2.8 km/s. All experiments were conducted at room temperature. Minerals found in comets and asteroids were chosen as targets, including diopside (MgCaSi2O6, monoclinic pyroxene), magnesite (MgCO3, carbonate), and fayalite (FeSiO4, olivine). Impacted samples were analyzed using a Fourier Transform Infrared Spectrometer (FTIR) and a Transmission Electron Microscope (TEM). Absorbance features in the 8-13 m spectral region demonstrate relative amplitude changes as well as wavelength shifts. Corresponding TEM images exhibit planar shock dislocations in the crystalline structure, attributed to deformation at high strain and low temperatures. Elongating or shortening the axes of the crystalline structure of forsterite (Mg2SiO4, olivine) using a discrete dipole approximation model (Lindsay et al., submitted) yields changes in spectral features similar to those observed in our impacted laboratory minerals.

Lederer, S. M.↗

Simplex GPS and InSAR Inversion Software

Changes in the shape of the Earth's surface can be routinely measured with precisions better than centimeters. Processes below the surface often drive these changes and as a result, investigators require models with inversion methods to characterize the sources. Simplex inverts any combination of GPS (global positioning system), UAVSAR (uninhabited aerial vehicle synthetic aperture radar), and InSAR (interferometric synthetic aperture radar) data simultaneously for elastic response from fault and fluid motions. It can be used to solve for multiple faults and parameters, all of which can be specified or allowed to vary. The software can be used to study long-term tectonic motions and the faults responsible for those motions, or can be used to invert for co-seismic slip from earthquakes. Solutions involving estimation of fault motion and changes in fluid reservoirs such as magma or water are possible. Any arbitrary number of faults or parameters can be considered. Simplex specifically solves for any of location, geometry, fault slip, and expansion/contraction of a single or multiple faults. It inverts GPS and InSAR data for elastic dislocations in a half-space. Slip parameters include strike slip, dip slip, and tensile dislocations. It includes a map interface for both setting up the models and viewing the results. Results, including faults, and observed, computed, and residual displacements, are output in text format, a map interface, and can be exported to KML. The software interfaces with the QuakeTables database allowing a user to select existing fault parameters or data. Simplex can be accessed through the QuakeSim portal graphical user interface or run from a UNIX command line.

Donnellan, Andrea↗

Reduction of Defects in Germanium-Silicon

Crystals grown without being in contact with a container have superior quality to otherwise similar crystals grown in direct contact with a container, especially with respect to impurity incorporation, formation of dislocations, and residual stress in the crystals. In addition to float-zone processing, detached Bridgman growth, although not a completely crucible-free method, is a promising tool to improve crystal quality. It does not suffer from the size limitations of float zoning and the impact of thermocapillary convection on heat and mass transport is expected to be negligible. Detached growth has been observed frequently during g experiments. Considerable improvements in crystalline quality have been reported for these cases. However, neither a thorough understanding of the process nor a quantitative assessment of the quality of these improvements exists. This project will determine the means to reproducibly grow GeSi alloys in a detached mode and seeks to compare processing-induced defects in Bridgman, detached-Bridgman, and floating-zone growth configurations in GeSi crystals (Si less than or equal to 10 at%) up to 20mm in diameter. Specific objectives include: measurement of the relevant material parameters such as contact angle, growth angle, surface tension, and wetting behavior of the GeSi-melt on potential crucible materials; determination of the mechanism of detached growth including the role of convection; quantitative determination of the differences in defects and impurities for crystals grown using normal Bridgman, detached Bridgman, and floating zone (FZ) methods; investigation of the influence of a defined flow imposed by a rotating magnetic field on the characteristics of detached growth; control of time-dependent Marangoni convection in the case of FZ growth by the use of a rotating magnetic field to examine the influence on the curvature of the solid-liquid interface and the heat and mass transport; and growth of benchmark quality GeSi-single crystals.

Szofran, Frank R.↗

Scalable Variable Charge Molecular Dynamics Simulations of Metal-Oxide Systems

Interfaces between metals and oxides are an important feature in many technologically relevant materials, e.g., oxidation of metal surfaces, oxide-dispersion strengthened (ODS) alloys, dielectric components, and thermal barrier coatings among others. Experimental studies of such interfaces are challenging since the majority are buried within the bulk, making computational modeling an attractive alternative. Molecular dynamics (MD) simulations operate at the length scales relevant to many interface-mediated mechanisms, but the requisite interatomic potentials for metal-oxide systems require computationally expensive variable charge schemes to account for the disparate bonding types, thus often limiting their effectiveness. Here we introduce several improvements to the charge transfer interatomic potential (CTIP) model which enable greater computational efficiency for large scale MD simulations. Then, using a new CTIP parametrization for the Ni-O system, we demonstrate its capabilities to capture critical atomic scale mechanisms associated with metal-oxide interfaces. Long time scale simulations (>10 ns) are used to investigate high temperature oxidation and oxide precipitation from the melt, and large length scale simulations (> 1 million atoms) are used to study the interaction of dislocations with oxide particles. We have implemented the new CTIP model in the widely used, open-source MD code LAMMPS.

Gabriel Plummer↗