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At least 307 records · Page 17

High resolution electrolyte for thinning InP by anodic dissolution and its applications to EC-V profiling, defect revealing and surface passivation

An extensive experimental study was conducted using various electrolytes in an effort to find an appropriate electrolyte for anodic dissolution of InP. From the analysis of electrochemical characteristics in the dark and under different illumination levels, x ray photoelectron spectroscopy and SEM/Nomarski inspection of the surfaces, it was determined that the anodic dissolution of InP front surface layers by FAP electrolyte is a very good choice for rendering smooth surfaces, free of oxides and contaminants and with good electrical characteristics. The FAP electrolyte, based on HF, CH3COOH, and H2O2 appears to be inherently superior to previously reported electrolytes for performing accurate EC-V profiling of InP at current densities of up to 0.3 mA/sq cm. It can also be used for accurate electrochemical revealing of either precipitates or dislocation density with application to EPD mapping as a function of depth, and for defect revealing of multilayer InP structures at any depth and/or at the interfaces.

Faur, Maria↗

Study of the interplay between lower-order and higher-order energetic strain-gradient effects in polycrystal plasticity

in this report strain-gradient (SG) plasticity refers to a class of non-local theories in which gradients of plastic slip determine the storage of geometrically necessary dislocations, introducing a length-scale dependence in the mechanical behavior of crystalline materials, which is otherwise lacking in local theories. In this work, we incorporate lower-order (LO) and higher-order energetic (HOE) strain-gradient effects into a crystal plasticity fast Fourier transform (FFT)-based formulation to investigate the interplay of the length scale that each strain-gradient term introduces at the microscale, and the mechanical properties that result at the macroscale. For an applicable range of length scales, we consider two systems: a 1-D two-phase face centered cubic (FCC) laminate and a 3-D FCC polycrystal, and two uniaxial deformation modes: monotonic tension and cyclic tension–compression. We show that increases in the individual LO and HOE length scales increase the hardening rate and strength of the material, respectively. When combined, the strong LO hardening is less pronounced than the effect alone due to the lowering of the gradients due to the HOE microstress. We demonstrate that the LO and HOE hardening manifest as “isotropic” (yield surface expansion) and “kinematic” (yield surface shift) effects, respectively, consistent with their theoretical origins. We show that in cyclic loading, the Bauschinger effect emerges in both local and non-local calculations and link its origins and severity to the behavior in the strain field, slip-system rates, and the HOE microforce.

36 MATERIALS SCIENCE↗

High Carrier Lifetimes in Epitaxial Germanium-Tin/Al(In)As Heterostructures with Variable Tin Compositions

Group IV-based germanium-tin (Ge1-ySny) compositional materials have recently shown great promise for infrared detection, light emission and ultra-low power transistors. High carrier lifetimes are desirable for enhancing the detection limit and efficiency of photodetectors, low threshold current density in lasers, and low tunneling barrier height by lowering defects and dislocations at the heterointerface of a source and a channel. Here, carrier lifetimes in epitaxial germanium (Ge) and variable tin (Sn) compositional Ge1-ySny materials were experimentally determined on GaAs substrates using the contactless microwave photoconductive decay (u-PCD) technique at an excitation wavelength of 1500 nm. Sharp (2 x 2) reflection high energy electron diffraction patterns and low surface roughness were observed from the surface of the Ge0.97Sn0.03 epilayer. X-ray rocking curves from Ge0.97Sn0.03 and Ge0.94Sn0.06 layers demonstrated the pseudomorphic and lattice-matched growth on AlAs and In0.12Al0.88As buffers, respectively, further substantiated by reciprocal space maps and abrupt heterointerfaces evident from the presence of Pendellosung oscillations. High effective carrier lifetimes of 150 ns to 450 ns were measured for Ge1-ySny epilayers as a function of Sn composition, surface roughness, growth temperature, and layer thickness. The observed increase in the carrier lifetime with an increasing Ge layer thickness and a reducing surface roughness, by incorporating Sn, were explained. The enhancement of the carrier lifetime with an increasing Sn concentration was achieved by controlling the defects with lattice-matched Ge0.94Sn0.06/In0.12Al0.88As heterointerfaces or the pseudomorphic growth of Ge0.94Sn0.06 on GaAs. Therefore, our monolithic integration of variable Sn alloy compositional Ge1-ySny materials with high carrier lifetimes opens avenues to realize electronic and optoelectronic devices.

carrier lifetimes↗

The importance of properties in modeling

Casting and welding of superalloys, stainless steel and titanium alloys are processes which can be improved through modeling of heat flow, fluid flow, residual stress development, and microstructural evolution. These simulations require inputs of thermophysical data, some of which involves the partially or totally liquid state. In particular, these processes involve melting, flow in the liquid, and solidification. Modeling of such processes can lead to an improved understanding of defects such as shrinkage, inclusions, cracks, incomplete filling (or penetration), macrosegregation, improper grain structure, and deviations from dimensional specifications. Effective modeling can shorten process development time and improve quality. An approach to these problems is to develop efficient models; validate through correlations with thermal, distortion, and microstructural data; run parametric studies; extract knowledge based rules; and apply to adaptive closed loop control systems. With the appropriate pre- and post-processing, such analyses can be made 'user friendly'. This would include graphical user interfaces as well as realistic images and color maps. In such form, these models can be used for sensitivity analyses, which are useful in defining appropriate sensors and in the development of control strategies. Such modeling can be done at several levels, e.g., the MARO level, modeling large scale phenomena such as heat and fluid flow or material deformation; the MICRO level, modeling the development of dendrites, grains or precipitates; or at the NANO level, modeling point defects, dislocations, stacking faults, etc. There are many computational issues associated with these simulations, e.g. computational efficiency and accuracy. In addition, there are many materials issues, not the least of which is the availability of accurate high temperature thermophysical data for complex alloys. This would include latent heat of fusion, temperature dependent heat capacity and thermal conductivity (for liquid and solid), viscosity, surface tension, thermal expansion, mechanical properties, etc. Preliminary data is frequently gathered from the literature; however, this is often not available for modern alloys. If additional data are required, measurements can be used; however, these are costly, time consuming and can be erroneous due to a lack of testing standards or impure materials. Microstructural predictors can be extracted from thermal information, e.g. cooling rate and thermal gradient; the prediction of microstructure is dependent on solidus and liquidus temperature, mushy zone permeability, the solidification curve, volume changes, phase transformations, alloying effects (such as surface tension or viscosity), mold/metal reactions, metal/environment reactions, etc. Defect maps may be needed to predict the onset of shrinkage, hot cracking or 'freckling'. Constants may be needed for stress relaxation, dendrite coarsening, vaporization, etc. Visualization was used as a tool to better comprehend complex data sets associated with the analysis of directional solidification (including crystal growth) and welding. Examples include not only isotherms, but also cooling rate, growth rate and thermal gradient. The latter two are not single valued scalars, but rather time and space dependent vector fields. Efficient models were developed for both casting and welding to predict heat flow and the relationship to dendrite and grain growth. These codes include many of the non-linear effects, e.g. radiation, which dominate these processes. The home-built FDM code(s) were designed to be useful not only to the scientist, but also to the process engineer. Special output can be requested to compare directly to experimental data. Visualization procedures were developed to visualize critical results, e.g. fusion zone width at the surface opposite that where the arc is applied ('penetration'). Both elaborate and simplified distortion analyses were carried out. It is clear that extensive mechanical property data are critical in order to accurately predict residual stress patterns. A scheme is currently being developed to integrate these modeling tools into a set of control algorithms; however, the success of this approach is critically dependent on the availability of accurate high temperature thermophysical data.

Giamei, A. F.↗

Crystal plasticity modeling and analysis for the transition from intergranular to transgranular failure in nickel-based alloy Inconel 740H at elevated temperature

The precipitation-strengthened Nickel alloy Inconel® 740H® (IN740H) exhibits increased ductility at higher applied strain rates during quasi-static tensile tests at an elevated temperature of 760°C. The examination of fracture surfaces in this context reveals a noteworthy transition of underlying fracture mechanisms from transgranular to intergranular fracture as the applied strain rate decreases from 1×10 -3 / s to 0.83×10 -4 / s . To thoroughly understand the mechanical response of IN740H under these conditions, this study develops a crystal plasticity finite element (CPFE) model. Further, this model incorporates various deformation mechanisms including dislocation slips, climb, and grain boundary sliding, which are relevant to the test conditions. The model is calibrated using data from both tensile tests at different strain rates and creep tests across a broad stress range at 760°C, enabling the accurate determination of model parameters for each mechanism. Simulation results well captured the experimental observations of different failure modes. At higher strain rates, the model shows a dominance of dislocation slip leading to heterogeneous plastic deformation and formation of transgranular shear bands causing the failure, while at lower strain rates, an increased activity of grain boundary sliding causes grain boundaries crack leading to intergranular failure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Growth and structure of alpha-Ta films for quantum circuit integration

Tantalum films incorporated into superconducting circuits have exhibited low surface losses, resulting in long-lived qubit states. The remaining loss pathways originate in microscopic defects that manifest as two level systems (TLSs) at low temperatures. These defects limit performance, so careful attention to tantalum film structures is critical for optimal use in quantum devices. In this work, we investigate the growth of tantalum using magnetron sputtering on sapphire, Si, and photoresist substrates. In the case of sapphire, we present procedures for the growth of fully-oriented films with α-Ta [1 1 1]//Al2O3 [0 0 0 1] and α-Ta [1 −1 0]//Al2O3 [1 0 −1 0] orientational relationships and having residual resistivity ratio (RRR) ∼ 60 for 220 nm thick films. On Si, we find a complex grain texturing with Ta [1 1 0] normal to the substrate and RRR ∼ 30. We further demonstrate airbridge fabrication using Nb to nucleate α-Ta on photoresist surfaces. For the films on sapphire, resonators show TLS-limited quality factors of 1.3 ± 0.3 × 106 at 10 mK (for a waveguide gap and conductor width of 3 and 6 μm, respectively). Structural characterization using scanning electron microscopy, x-ray diffraction, low temperature transport, secondary ion mass spectrometry, and transmission electron microscopy reveal the dependence of residual impurities and screw dislocation density on processing conditions. The results provide practical insights into the fabrication of advanced superconducting devices including qubit arrays and guide future works on crystallographically deterministic qubit fabrication.

42 ENGINEERING↗

Local Berry Phase Signatures of Bilayer Graphene in Intervalley Quantum Interference

Chiral quasiparticles in Bernal-stacked bilayer graphene have valley-contrasting Berry phases of ±2π. This nontrivial topological structure, associated with the pseudospin winding along a closed Fermi surface, is responsible for various novel electronic properties. In this work, we show that the quantum interference due to intervalley scattering induced by single-atom vacancies or impurities provides insights into the topological nature of the bilayer graphene. The scattered chiral quasiparticles between distinct valleys with opposite chirality undergo a rotation of pseudospin that results in the Friedel oscillation with wavefront dislocations. The number of dislocations reflects the information about pseudospin texture and hence can be used to measure the Berry phase. As demonstrated both experimentally and theoretically, the Friedel oscillation, depending on the single-atom vacancy or impurity at different sublattices, can exhibit N = 4, 2, or 0 additional wavefronts, characterizing the 2π Berry phase of the bilayer graphene. Our results provide a comprehensive study of the intervalley quantum interference in bilayer graphene and can be extended to multilayer graphene, shedding light on the pseudospin physics.

36 MATERIALS SCIENCE↗

Progress in Near-Equilibrium Ammonothermal (NEAT) Growth of GaN Substrates for GaN-on-GaN Semiconductor Devices

This paper reviews the near-equilibrium ammonothermal (NEAT) growth of bulk gallium nitride (GaN) crystals and reports the evaluation of 2″ GaN substrates and 100 mmbulk GaN crystal grown in our pilot production reactor. Recent progress in oxygen reduction enabled growing NEAT GaN substrates with lower residual oxygen, coloration, and optical absorption. The oxygen concentration was approximately 2 × 1018 cm−2, and the optical absorption coefficient was 1.3 cm−1 at 450 nm. Maps of full-width half maximum (FWHM) of X-ray diffraction rocking curveswere generated for grown crystals and finished wafers. The X-ray rocking curve maps confirmed high-quality and uniform microstructure across the entire surface of the bulk crystals and substrates. The average FWHM of the 50 best bulk crystals from the recent batch was 28 ± 4 arcsec for the 002 diffraction and 34 ± 5 arcsec for the 201 diffraction, with an average radius of curvature of 20 m. X-ray topography measured on both sides of the bulk crystals implied that the density of dislocations wasreduced by one order of magnitude during the NEAT growth. A typical NEAT GaN substrate shows dislocation density of about 2 × 105 cm−2.

36 MATERIALS SCIENCE↗

Sensitization of 316L Stainless Steel made by Laser Powder Bed Fusion Additive Manufacturing

Additively manufactured (AM) 316L stainless steel (SS) manufactured by laser powder bed fusion (L-PBF) and wrought 316L SS were subjected to sensitization heat treatments at 700°C up to 100 h. Using two evaluation methods, double-loop electrochemical potentiokinetic reactivation (DL-EPR) and ditching tests, degree of sensitization (DOS) and intergranular corrosion (IGC) susceptibility was evaluated. It was found that the wrought samples showed slightly lower IGC susceptibility compared to their AM counterpart. DOS and IGC attacks increased with sensitization time for all samples. Dislocation cellular structures were found to have little to no impact on DOS and IGC for the AM samples. Sensitized at 100 h, the AM sample showed significant Cr depletion along high-angle grain boundaries (12.35 wt% on average) and exhibited Cr carbide precipitation. Mo-rich particles along grain boundaries were also observed. The DL-EPR test attacks the surface oxide film and grain boundaries while the ditching test attacks the melt pool boundaries and grain boundaries (IGC and pitting). Changes to the DL-EPR and ditching standards for AM application have been proposed in this work.

316L stainless steel↗

Stress studies in EFG

Stress distributions were calculated for a creep law to predict a rate of plastic deformation. The expected reduction in stresses is obtained. Improved schemes for calculating growth system temperature distributions were evaluated. Temperature field modeling examined the possibility of using horizontal temperature gradients to influence stress distribution in ribbon. The defect structure of 10 cm wide ribbon grown in the cartridge system was examined. A new feature is identified from an examination of cross sectional micrographs. It consists of high density dislocation bands extending through the ribbon thickness. A four point bending apparatus was constructed for high temperature study of the creep response of silicon, to be used to generate defects for comparison with as grown defects in ribbon. The feasibility of laser interferometric techniques for sheet residual stress distribution measurement is examined. The mathematical formalism for calculating residual stress from changes in surface topology caused by an applied stress in a rectangular specimen was developed, and the system for laser interferometric measurement to obtain surface topology data was tested on CZ silicon.

Source record↗

Grand canonically optimized grain boundary phases in hexagonal close-packed titanium

Grain boundaries (GBs) profoundly influence the properties and performance of materials, emphasizing the importance of understanding the GB structure and phase behavior. As recent computational studies have demonstrated the existence of multiple GB phases associated with varying the atomic density at the interface, we introduce a validated, open-source GRand canonical Interface Predictor (GRIP) tool that automates high-throughput, grand canonical optimization of GB structures. While previous studies of GB phases have almost exclusively focused on cubic systems, we demonstrate the utility of GRIP in an application to hexagonal close-packed titanium. We perform a systematic high-throughput exploration of tilt GBs in titanium and discover previously unreported structures and phase transitions. In low-angle boundaries, we demonstrate a coupling between point defect absorption and the change in the GB dislocation network topology due to GB phase transformations, which has important implications for the accommodation of radiation-induced defects.

36 MATERIALS SCIENCE↗

Stress-dominated growth of two-dimensional materials on nonplanar substrates

Curved features are ubiquitous on solid surfaces, but the effect of surface curvatures on growth of two-dimensional (2D) materials has not yet been established. Using a newly developed method based on the Metropolis algorithm and taking graphene as a prototype, we find that a curved feature on substrates can result in a variety of topological defects in 2D materials. As the feature's size increases by just nanometers, the defects can vary from adatoms, dislocation pairs, and grain boundary scars to long-range grain boundaries, in contrast to previously reported defect-free modes of rigid colloidal crystals growing on spheres. We identify an important role of curvature-induced lattice stress in lowering the growth rate over the curved features and driving a plastic instability in the materials. When the feature's size increases to several nanometers, the stress effect is compromised by an enhanced effect of geodesic curvature, yielding long-range grain boundaries as a result of increased local growth rate on the feature with respect to that on flat regions. Here we further provide a ‘phase diagram’ of defects that helps to guide a rational choice of geometrical parameters of features towards the growth of high-quality 2D materials as well as controllable creation of topological defects.

36 MATERIALS SCIENCE↗

Step Free Surface Heteroepitaxy of 3C-SiC Layers on Patterned 4H/6H-SiC Mesas and Cantilevers

The off-axis approach to SiC epitaxial growth has not prevented many substrate crystal defects from propagating into SiC epilayers, and does not permit the realization of SiC heteropolytype devices. This paper reviews recent advancements in SiC epitaxial growth that begin to overcome the above shortcomings for arrays of device-sized mesas patterned into on-axis 4H/6HSiC wafers. These on-axis mesa growth techniques have produced 4H/6H-SiC homoepilayers and 3C-SiC heteroepilayers with substantially lower dislocation densities. The results should enable improved homojunction and heterojunction silicon carbide prototype devices.

Neudeck, P. G.↗

A literature review and inventory of the effects of environment on the fatigue behavior of metals

The current state of knowledge of the effects of gas environments (at atmospheric pressure and below) on the fatigue behavior of metals is reviewed. Among the topics considered are the mechanisms proposed to explain the differences observed in the fatigue behavior of vacuum- and air-tested specimens, the effects of environment on the surface topography of fatigue cycled specimens, the effect of environment on the various phases of the fatigue phenomenon, the effect of prolonged exposure to vacuum on fatigue life, the variation of fatigue life with decreasing gas pressure, and gas evolution during fatigue cycling. Analysis of the findings of this review indicates that hydrogen embrittlement is primarily responsible for decreased fatigue resistance in humid environments, and that dislocations move more easily during tests in vacuum than during test in air. It was found that fatigue cracks generally initiated and propagated more rapidly in air than in vacuum. Prolonged exposure to vacuum does not adversely affect fatigue resistance. The variation of fatigue life with decreasing gas pressure is sometimes stepped and sometimes continuous.

Hudson, C. M.↗

Lattice-mismatched In(0.40)Al(0.60)As window layers for indium phosphide solar cells

The efficiency of indium phosphide (InP) solar cells is limited by its high surface recombination velocity (approximately 10(exp 7) cm/s). This might be reduced by a wide-bandgap window layer. The performance of InP solar cells with wide-bandgap (1.8 eV) lattice-mismatched In(0.40)Al(0.60)As as a window layer was calculated. Because the required window layer thickness is less than the critical layer thickness, growth of strained (pseudomorphic) layers without interfacial misfit dislocations should be possible. Calculations using the PC-lD numerical code showed that the efficiencies of baseline and optimized p(+)n (p-on-n) cells are increased to more than 22 and 24 percent, (air mass zero (AMO), 25 C), respectively for a lattice-mismatched In(0.40)Al(0.60)As window layer of 10-nm thickness. Currently, most cell development work has been focused on n(+)p (n-on-p) structures although comparatively little improvement has been found for n(+)p cells.

Jain, Raj K.↗

Microstructurally Strained Pyrochlore–Perovskite Biphasic Electrocatalysts for the Oxygen Evolution Reaction

Efficiency of water splitting for hydrogen production is often limited by the sluggish kinetics of multiple electronic transfers required in the heterogeneous oxygen evolution reaction (OER). Catalyst design for reducing the high OER overpotential remains a major scientific challenge. Lattice-strain engineering, a method for tuning the electronic structure and surface geometric configuration of active sites, may greatly affect the interaction between adsorbates and catalytic surfaces for high activity and stability. Here, in this study, we present the synthesis of biphasic oxides of YPrSrRuMnO x , which consists of distinct phases of Y 2 Ru 2 O 7 pyrochlore and (Pr 0.7 Sr 0.3 )MnO 3 perovskite, and the development of a suitable analytical approach to study the strain–catalytic property relationship. Linear sweep voltammetry results reveal that the biphasic oxide exhibits approximately 3.1 times greater mass activity and 2.4 times larger turnover frequency (TOF) than single-phase Y 2 Ru 2 O 7 in the 0.1 M HClO 4 electrolyte. The biphasic catalyst is also about 3 times more stable than the single-phase oxide under acidic conditions. X-ray photoelectron spectroscopy, nitrogen isotherm, and electrochemical surface area analyses indicate that the oxidation state, specific surface area, and electrochemical surface area do not cause enough difference in the observed enhancement of OER performance. We examined the effects of microstrain on electrocatalysis, originating from lattice mismatch between different phases, using three different structural models. Specifically, we compared the Williamson–Hall method, standard stress–strain analysis, and Rietveld refinement in analyzing the structure–property relationship. Strain mapping using geometric phase analysis (GPA) further revealed significant microstrain and lattice dislocations localized near phase boundaries in the biphasic oxide, in contrast to the uniform strain in single-phase materials. The results reveal that the increased microstrain correlates well with the improved OER performance, as the biphasic oxide catalyst exhibits 2–3 times greater microstrain than Y 2 Ru 2 O 7 pyrochlore.

electrocatalysts↗

Phase Transformation and Creep Behavior in Ti50Pd30Ni20 High Temperature Shape Memory Alloy in Compression

The creep behavior and the phase transformation of Ti50Pd30Ni20 High Temperature Shape Memory Alloy (HTSMA) is investigated by standard creep tests and thermomechanical tests. Ingots of the alloy are induction melted, extruded at high temperature, from which cylindrical specimens are cut and surface polished. A custom high temperature test setup is assembled to conduct the thermomechanical tests. Following preliminary monotonic tests, standard creep tests and thermally induced phase transformation tests are conducted on the specimen. The creep test results suggest that over the operating temperatures and stresses of this alloy, the microstructural mechanisms responsible for creep change. At lower stresses and temperatures, the primary creep mechanism is a mixture of dislocation glide and dislocation creep. As the stress and temperature increase, the mechanism shifts to predominantly dislocation creep. If the operational stress or temperature is raised even further, the mechanism shifts to diffusion creep. The thermally induced phase transformation tests show that actuator performance can be affected by rate independent irrecoverable strain (transformation induced plasticity + retained martensite) as well as creep. The rate of heating and cooling can adversely impact the actuators performance. While the rate independent irrecoverable strain is readily apparent early in the actuators life, viscoplastic strain continues to accumulate over the lifespan of the HTSMA. Thus, in order to get full actuation out of the HTSMA, the heating and cooling rates must be sufficiently high enough to avoid creep.

Kumar, Parikshith K.↗

Compliance matrices for cracked bodies

An algorithm is developed to construct the compliance matrix for a cracked solid in the integral-equation formulation of two-dimensional linear-elastic fracture mechanics. The integral equation is reduced to a system of algebraic equations for unknown values of the dislocation-density function at discrete points on the interval from -1 to 1, using the numerical procedure described by Gerasoulis (1982). Sample numerical results are presented, and it is suggested that the algorithm is especially useful in cases where iterative solutions are required; e.g., models of fiber-reinforced concrete, rocks, or ceramics where microcracking, fiber bridging, and other nonlinear effects are treated as nonlinear springs along the crack surfaces (Ballarini et al., 1984).

Ballarini, R.↗