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At least 271 records · Page 15

Nucleation, Growth, and Strain Relaxation of Lattice-Mismatched III-V Semiconductor Epitaxial Layers

We have investigated the early stages of evolution of highly strained 2-D InAs layers and 3-D InAs islands grown by metal-organic chemical vapor deposition (MOCVD) on (100) and (111) B GaAs substrates. The InAs epilayer / GaAs substrate combination has been chosen because the lattice-mismatch is severe (approx. 7.20%), yet these materials are otherwise very similar. By examining InAs-on-GaAs composites Instead of the more common In(x)Ga(1-x)As alloy, we remove an additional degree of freedom (x) and thereby simplify data interpretation. A matrix of experiments is described in which the MOCVD growth parameters -- susceptor temperature, TMIn flux, and AsH3 flux -- have been varied over a wide range. Scanning electron microscopy, atomic force microscopy, transmission electron microscopy, and electron microprobe analysis have been employed to observe the thin film surface morphology. In the case of 3-D growth, we have extracted activation energies and power-dependent exponents that characterize the nucleation process. As a consequence, optimized growth conditions have been identified for depositing approx. 250 A thick (100) and (111)B oriented InAs layers with relatively smooth surfaces. Together with preliminary data on the strain relaxation of these layers, the above results on the evolution of thin InAs films indicate that the (111)B orientation is particularly promising for yielding lattice-mismatched films that are fully relaxed with only misfit dislocations at the epilayer / substrate interface.

Welser, R. E.↗

Single crystal yield criterion for chromium based on atomistic studies of isolated 1/2[111] screw dislocations

Using the recently developed Bond Order Potential for Cr, we investigate the mobility of isolated 1/2[111] screw dislocations under stress at 0 K. These studies provide the dependence of the critical resolved shear stress (i.e., the Peierls stress) on the orientation of the maximum resolved shear stress plane and on the shear stress perpendicular to the slip direction. Similar studies are made for loading in tension and compression to show that the onset of yielding in Cr single crystals can be described using a combination of the shear stresses parallel and perpendicular to the slip direction. Based on these results, we develop a single crystal yield criterion for Cr that includes all non-Schmid contributions to the Peierls stress. This criterion is used to predict the shape of the yield surface and compare it with the regular Tresca's hexagon arising from the Schmid law. For all directions of uniaxial load, the criterion is used to quantify the character and magnitude of the tension-compression asymmetry.

36 MATERIALS SCIENCE↗

The effects of surface films on mechanical behavior of B2 ordered intermetallic alloys

Surface films deposited on body-centered cubic metals can greatly reduce the yield and flow stresses and increase the ductility at low homologous temperatures. This softening process is associated with the ability of the film-substrate interface to generate large populations of mobile edge dislocations. This phenomenon is extended to B2 ordered intermetallic alloys, which display many deformation characteristics of bcc metals. Single crystal NiAl coated with thermally formed oxide films and polycrystalline FeAl with electrochemically formed Fe-Al-O films display film softening at and below room temperature. The extent of film softening is shown to depend on many factors, including crystal orientation, deformation temperature, operative slip systems, film thickness, film adherence, and film and substrate properties.

Noebe, R. D.↗

Growth of Defect-Free 3C-Sic on 4H- and 6H-SIC Mesas Using Step-Free Surface Heteroepitaxy

A new growth process, herein named step-free surface heteroepitaxy, has achieved 3C-SiC films completely free of double positioning boundaries and stacking faults on 4H-SiC and 6H-SiC substrate mesas. The process is based upon the initial 2-dimensional nucleation and lateral expansion of a single island of 3C-SiC on a 4H- or 6H-SiC mesa surface that is completely free of bilayer surface steps. Our experimental results indicate that substrate-epilayer in-plane lattice mismatch (Delta/a = 0.0854% for 3C/4H) is at least partially relieved parallel to the interface in the initial bilayers of the heterofilm, producing an at least partially relaxed 3C-SiC film without dislocations that undesirably thread through the thickness of the epilayer. This result should enable realization of improved 3C-SiC devices.

Neudeck, Philip G.↗

High-temperature nanoindentation creep studies on castable and sintered nanostructured low-activation ferritic-martensitic alloys

In this article, we present the creep characteristics of two reduced activation ferritic-martensitic steels of identical starting compositions formed by different fabrication routes: a nanostructured ferritic alloy commonly referred to as a castable nanostructured alloy (CNA) and a sintered nanostructured alloy (SNA) variant. Through a series of nanoindentation experiments spanning a temperature range of 25 °C to 650 °C, with a maximum load of 100 mN, we find creep behaviors in the cast and sintered materials to be remarkably similar. The creep stress exponent (n) for CNA and SNA were found to be in the range of 8–35 and the activation volume was ∼14–42b 3 , underscoring a dominance of dislocation-mediated mechanisms in both alloys. Notably, we observed a decline in the creep stress exponent with increasing temperature, attributable to the heightened influence of thermally activated dislocations. This phenomenon suggests a potential transition in the deformation mechanism towards a thermally activated dislocation climb process, significantly impacting the observed creep behavior.

36 MATERIALS SCIENCE↗

Fracture behavior of irradiation induced nanocrystalline UO 2 studied by in-situ mechanical testing in transmission electron microscopy

Uranium Dioxide (UO 2 ) is widely used as a fuel in current light water reactors (LWRs). Upon accumulation of radiation damage, LWR UO 2 fuel pellets start to develop a different microstructure at the pellet periphery when fuel burnup exceeds 45–50 GWd/tHM. The resulting porous, nanocrystalline microstructure is one of the most prominent microstructural changes occurring in such fuel. Its fracture mechanisms, which causes fuel fine fragmentation, could impact safety limits when the cladding breaches. Direct measurements of these properties are challenging, therefore a surrogate obtained via ion irradiation can be used. In this study, multiple microcantilevers were fabricated by focused ion beam from both fresh UO 2 and UO 2 irradiated with 84 MeV Xe 26+ ions to a peak dose of 1357 displacements per atom (dpa). Further, the irradiation produced a pseudo high burnup structure approximately 2 µm below the surface. In-situ nano-mechanical bending tests were conducted to investigate the fracture behavior and the effect of the surrogate UO 2 high burnup structure on local fracture properties. Fresh UO 2 fuel was observed to fracture in transgranular mode without nucleation or movement of dislocations. However, the Xe-irradiated nanocrystalline microcantilevers fractured along the grain boundaries, with no influence from the pre-existing micro-cracks in the microcantilever. Fracture toughness for this type of surrogate high burnup UO 2 structure is reported for the first time in literature. Both the fracture stress and toughness show degradation for UO 2 as a result of Xe-irradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

GPS measurements of deformation associated with the 1987 Superstition Hills earthquake: Evidence for conjugate faulting

Large station displacements observed from Imperial Valley Global Positioning System (GPS) campaigns are attributed to the November 24, 1987 Superstition Hills earthquake sequence. Thirty sites from a 42 station GPS network established in 1986 were reoccupied during 1988 and/or 1990. Displacements at three sites within 3 kilometers of the surface rupture approach 0.5 m. Eight additional stations within 20 km of the seismic zone are displaced at least 10 cm. This is the first occurrence of a large earthquake (M(sub S) 6.6) within a preexisting GPS network. Best-fitting uniform slip models of rectangular dislocations in an elastic half-space indicate 130 + or - 8 cm right-lateral displacement along the northwest-trending Superstition Hills fault and 30 + or - 10 cm left-lateral displacement along the conjugate northeast-trending Elmore Ranch fault. The geodetic moments are 9.4 x 10(exp 25) dyne-cm and 2.3 x 10(exp 25) dyne-cm for the Superstition Hills and Elmore Ranch faults, respectively, consistent with teleseismic source parameters. The data also suggest the post seismic slip along the Superstition Hills fault is concentrated at shallow depths. Distributed slip solutions using Singular Value Decomposition indicate near uniform displacement along the Elmore Ranch fault and concentrated slip to the northwest and southeast along the Superstition Hills fault. A significant component of non-seismic displacement is observed across the Imperial Valley, which is attributed in part to interseismic plate-boundary deformation.

Larsen, Shawn↗

Global positioning system measurements of deformations associated with the 1987 Superstition Hills earthquake - Evidence for conjugate faulting

Large station displacements observed from Imperial Valley Global Positioning System (GPS) compaigns are attributed to the November 24, 1987 Superstition Hills earthquake sequence. Thirty sites from a 42 station GPS network established in 1986 were reoccupied during 1988 and/or 1990. Displacements at three sites within 3 kilometers of the surface rupture approach 0.5 m. Eight additional stations within 20 km of the seismic zone are displaced at least 10 cm. This is the first occurrence of a large earthquake (M(sub S) 6.6) within a preexisting GPS network. Best-fitting uniform slip models of rectangular dislocations in an elastic half-space indicate 130 + or - 8 cm right-lateral displacement along the northwest-trending Superstition Hills fault and 30 + or - 10 cm left-lateral displacement along the conjugate northeast-trending Elmore Ranch fault. The geodetic moments are 9.4 x 10 (exp 25) dyne-cm and 2.3 x 10 (exp 25) dyne-cm for the Superstition Hills and Elmore Ranch faults, respectively, consistent with teleseismic source parameters. The data also suggest the post seismic slip along the Superstition Hills fault is concentrated at shallow depths. Distributed slip solutions using Singular Value Decomposition indicate near uniform displacement along the Elmore Ranch fault and concentrated slip to the northwest and southeast along the Superstition Hills fault. A significant component of non-seismic displacement is observed across the Imperial Valley, which is attributed in part to interseismic plate-boundary deformation.

Larsen, Shawn↗

Growth of Defect-Free 3C-SiC on 4H- and 6H-SiC Mesas Using Step-Free Surface Heteroepitaxy

A new growth process, herein named step-free surface heteroepitaxy, has achieved 3CSiC films completely free of double positioning boundaries and stacking faults on 4H-SiC and 6H-SiC substrate mesas. The process is based upon the initial 2-dimensional nucleation and lateral expansion of a single island of 3C-SiC on a 4H- or 6H-SiC mesa surface that is completely free of bilayer surface steps. Our experimental results indicate that substrate-epilayer in-plane lattice mismatch (delta a/a = 0.0854% for 3C/4H) is at least partially relieved parallel to the interface in the initial bilayers of the heterofilm, producing an at least partially relaxed 3C-SiC film without dislocations that undesirably thread through the thickness of the epilayer. This result should enable realization of improved 3C-SiC devices.

Neudeck, Philip G.↗

Time–series Analysis of Volume Change at Brady Hot Springs, Nevada, USA using Geodetic Data from 2003 – 2018

Brady Hot Springs geothermal field has exhibited subsidence, as measured by interferometric synthetic aperture radar (InSAR). Previous studies have examined both the temporal evolution of the deformation from 2004 through 2016 and the spatial extent of the deformation, directly relating the observed subsidence to volumetric changes below the surface. We extend the modeling at Brady to analyze a data set of interferometric pairs spanning from the end of 2003 through 2018. We examine spatial and temporal trends in the observed deformation by time–series analysis of each of the 1656 cubic voxels in a parameterized elastic dislocation model to identify areas where the subsurface volume changes as a function of time. Joint time–series analysis of Global Positioning System and InSAR pairs confirm significant changes in rates of volume change during time intervals when well operations were varied. Here, the rate of subsidence increases with increased injection, consistent with the identification of thermal contraction of the rock matrix as the dominant driving mechanism. Conversely, the modeled volume increases when pumping ceases, suggesting thermal expansion of the rock matrix.

58 GEOSCIENCES↗

Nonlinear ultrasonic technique for the characterization of microstructure in additive materials

This study employs nonlinear ultrasonic techniques to track microstructural changes in additively manufactured metals. The second harmonic generation technique based on the transmission of Rayleigh surface waves is used to measure the acoustic nonlinearity parameter, β. Stainless steel specimens are made through three procedures: traditional wrought manufacturing, laser-powder bed fusion, and laser engineered net shaping. The β parameter is measured through successive steps of an annealing heat treatment intended to decrease dislocation density. Dislocation density is known to be sensitive to manufacturing variables. In agreement with fundamental material models for the dislocation-acoustic nonlinearity relationship in the second harmonic generation, β drops in each specimen throughout the heat treatment before recrystallization. Geometrically necessary dislocations (GNDs) are measured from electron back-scatter diffraction as a quantitative indicator of dislocations; average GND density and β are found to have a statistical correlation coefficient of 0.852 showing the sensitivity of β to dislocations in additively manufactured metals. Moreover, β shows an excellent correlation with hardness, which is a measure of the macroscopic effect of dislocations.

42 ENGINEERING↗

Rheology of water and ammonia-water ices

Creep experiments on fine-grained water and ammonia-water ices have been performed at one atmosphere and high confining pressure in order to develop constitutive relationships necessary to model tectonic processes and interpret surface features of icy moons of the outer solar system. The present series of experiments explores the effects of temperature, strain rate, grain size, and melt fraction on creep strength. In general, creep strength decreases with increasing temperature, decreasing strain rate, and increasing melt fraction. A transition from dislocation creep to diffusion creep occurs at finer grain sizes, higher temperatures, and lower strain rates.

Goldsby, D. L.↗

Dynamic Scaling Analysis of Accelerated Irradiation Testing on Additive Manufacturing Materials by Positron Annihilation

The timely applications of Additive Manufacturing (AM) materials in nuclear environments require accelerated irradiation tests, mainly ion irradiation to enable rapid prototyping. Low dose ion irradiation would cause sub-nanostructure changes by generation of lattice defects, vacancies, vacancy clusters and voids and void swelling caused by cellular dislocations. Positron Annihilation Lifetime (PAL), a novel technology, sensitive towards sub-nanostructure morphology with high accuracy (about 10-7 vacancy per atom), supported by Transition Electron Microscope (TEM) would be applied to identify the type and total size of the defects. The subsequent PAL measurements and TEM surface studies would be followed by PAL analysis that includes sophisticated trapping model. The PAS results would become an input to dynamic scaling analysis (that predicts radiation effects from low dose studies for high dose effects), which incorporate mean-field theory model. The final effect is an in-depth understanding of the microstructure evolution of AM materials under ion irradiation which can be extrapolated to the studies of neutron irradiation, since ion-irradiation takes less time and do not cause the irradiation hazard. The working hypothesis is that PAL technology, that have excellent sensitivity to low-defect concentration would help to identify ion-induced material damage on the atomic and nano-scale level, which then could be extrapolated to understand the neutron damage better.

accelerated irradiation testing↗

Polarization-induced 2D hole gases in pseudomorphic undoped GaN/AlN heterostructures on single-crystal AlN substrates

A high-conductivity two-dimensional (2D) hole gas is the enabler of wide-bandgap p-channel transistors. Compared to commonly used AlN template substrates with high dislocation densities, the recently available single-crystal AlN substrates are promising to boost the speed and power handling capability of p-channel transistors based on GaN/AlN 2D hole gases (2DHGs) thanks to the much lower dislocation densities and the absence of thermal boundary resistance. Using plasma-assisted molecular beam epitaxy, we report the observation of polarization-induced high-density 2DHGs in undoped pseudomorphic GaN/AlN heterostructures on the single-crystal AlN substrates with high structural quality and atomic steps on the surface. The high-density 2DHG persists down to cryogenic temperatures with a record high mobility exceeding 280 cm 2 /V s and a density of 2.2 × 10 13 /cm 2 at 10 K. These results shed light on aspects of improving 2D hole mobilities and indicate significant potential of GaN/AlN 2DHG grown on bulk AlN substrates for future high performance wide-bandgap p-channel transistors.

36 MATERIALS SCIENCE↗

Effect of Laser Beam Profile on Rotating Lattice Single Crystal Growth in Sb2S3 Model Glass

Laser heating of chalcogenide glasses has successfully produced rotating lattice single crystals through a solid-solid transformation. To better understand the nature of complex, orientation-dependent lattice rotation, we designed heat profiles of the continuous wave laser by beam shaping, fabricated larger Sb2S3 crystal dots in Sb2S3 glass, and investigated the lattice rotation where the crystal could grow in all radial directions under a circular thermal gradient. The results show that the rate of lattice rotation is highly anisotropic and depends on crystallographic direction. The nature of this rotation is the same in crystals of different orientation relative to the surface. The growth directions that align with the slip planes show the highest rate of rotation and the rotation rate gradually decreases away from this direction. Additionally, the presence of multiple growth directions results in a complicated rotation system. We suggest that the growth front influences the density of dislocations introduced during growth under confinement and thus affects the lattice rotation rate in these crystals.

36 MATERIALS SCIENCE↗

A comparative study of performance parameters of n(+)-p InP solar cells made by closed-ampoule sulfur diffusion into Cd- and Zn-doped p-type InP substrates

Preliminary results indicate that Cd-doped substrates are better candidates for achieving high efficiency solar cells fabricated by closed-ampoule sulfur (S) diffusion than Zn-doped substrates. The differences in performance parameters (i.e., 14.3 percent efficiency for Cd-doped vs. 11.83 percent in the case of Zn-doped substrates of comparable doping and etch pit densities) were explained in terms of a large increase in dislocation density as a result of S diffusion in the case of Zn-doped as compared to Cd-doped substrates. The In(x)S(y) and probably Zn(S) precipitates in the case of Zn-doped substrates, produce a dead layer which extends deep below the surface and strongly affects the performance parameters. It should be noted that the cells had an unoptimized single layer antireflective coating of SiO, a grid shadowing of 6.25 percent, and somewhat poor contacts, all contributing to a reduction in efficiency. It is believed that by reducing the external losses and further improvement in cell design, efficiencies approaching 17 percent at 1 AMO, 25 degrees should be possible for cells fabricated on these relatively high defect density Cd-doped substrates. Even higher efficiencies, 18 to 19 percent should be possible by using long-lifetime substrates and further improving front surface passivation. If solar cells fabricated on Cd-doped substrates turn out to have comparable radiation tolerance as those reported in the case of cells fabricated on Zn-doped substrates, then for certain space missions 18 to 19 percent efficient cells made by this method of fabrication would be viable.

Faur, Mircea↗

Modeling of the surface static displacements and fault plane slip for the 1979 Imperial Valley earthquake

Three-dimensional finite element modeling techniques are used to synthesize geodetic and seismological results for 1979 Imperial Valley earthquake. The strategy pursued consists of two principal steps. In the first step, the seismologically-derived coseismic fault slip is taken as a function of position in the fault plane and is applied directly to the three-dimensional dislocation model. In the second step, a physical model of stresses and constitutive parameters is perturbed so as to reproduce the observed fault slip. Hence, the principal features of the coseismic slip pattern are explained by a stress-driven fault model in which: (1) a spatially unresolved asperity is found equivalent to a stress drop of 18 MPa averaged over an area of 15 sq km, and (2) driving stress is essentially absent on the fault segment overlapping the 1940 earthquake rupture zone.

Slade, M. A.↗

Single Junction InGaP/GaAs Solar Cells Grown on Si Substrates using SiGe Buffer Layers

Single junction InGaP/GaAs solar cells displaying high efficiency and record high open circuit voltage values have been grown by metalorganic chemical vapor deposition on Ge/graded SiGe/Si substrates. Open circuit voltages as high as 980 mV under AM0 conditions have been verified to result from a single GaAs junction, with no evidence of Ge-related sub-cell photoresponse. Current AM0 efficiencies of close to 16% have been measured for a large number of small area cells, whose performance is limited by non-fundamental current losses due to significant surface reflection resulting from greater than 10% front surface metal coverage and wafer handling during the growth sequence for these prototype cells. It is shown that at the material quality currently achieved for GaAs grown on Ge/SiGe/Si substrates, namely a 10 nanosecond minority carrier lifetime that results from complete elimination of anti-phase domains and maintaining a threading dislocation density of approximately 8 x 10(exp 5) per square centimeter, 19-20% AM0 single junction GaAs cells are imminent. Experiments show that the high performance is not degraded for larger area cells, with identical open circuit voltages and higher short circuit current (due to reduced front metal coverage) values being demonstrated, indicating that large area scaling is possible in the near term. Comparison to a simple model indicates that the voltage output of these GaAs on Si cells follows ideal behavior expected for lattice mismatched devices, demonstrating that unaccounted for defects and issues that have plagued other methods to epitaxially integrate III-V cells with Si are resolved using SiGe buffers and proper GaAs nucleation methods. These early results already show the enormous and realistic potential of the virtual SiGe substrate approach for generating high efficiency, lightweight and strong III-V solar cells.

Ringel, S. A.↗