Atomistic Simulations of the Mechanical Behavior of Fivefold Twinned Nanowires

Atomistic simulations are used to investigate the mechanical behavior of metal nanowire with fivefold twinned structure. The twinned nanowires were reported in recent experiments [B. Wu et al., Nano Lett. 6, 468 (2006)]. In the present paper, we find that the yield strength of the fivefold twinned Cu nanowire is 1.3 GPa higher than that of the face-centered-cubic (fcc) < 110 > single crystalline Cu nanowire without fivefold twinned structure, and the microstructure-hardened mechanism is primarily due to the twinned boundaries which act as the barriers for the dislocation emission and propagation. However, we also find that the fivefold twinned Cu nanowire has lower ductility than that of fcc < 110 > single crystalline Cu nanowire without the twinned structure, and this is mainly attributed to the scarcity and low mobility of dislocations. In addition, in our simulations the effect of preexisting stacking faults and dislocations on strength of the fivefold twinned nanowires is investigated.

Nanocrystalline Formation During Mechanical Attrition of Cobalt

The nanocrystalline (nc) formation was studied in cobalt (a mixture of c (hexagonal close packed) and gamma (face-centered cubic) phases) subjected to surface mechanical attrition treatment. Electron microscopy revealed the operation of {10(1) over bar 0}< 11(2) over bar 0 > prismatic and {0001}< 11(2) over bar 0 > basal slip in the E phase, leading to the successive subdivision of grains to nanoscale. In particular, the dislocation splitting into the stacking faults was observed to occur in ultrafine and nc grains. By contrast, the planar dislocation arrays, twins and martensites were evidenced in the gamma phase. The strain-induced gamma ->epsilon martensitic transformation was found to progress continuously in ultrafine and nc grains as the strain increased. The nc formation in the gamma phase was interpreted in terms of the martensitic transformation and twinning.

Nonequilibrium microstructures and phase evolutions of an iron-based laser clad coating

The microstructural and compositional features of the laser-solidified microstructures and phase evolutions occurring during high temperature tempering were investigated by using analytical electron microscopy with energy dispersive X-ray analysis. The cladded alloy, a powder mixture of Fe, Cr, W, Ni and C with a weight ratio of 10:5:1:1:1, was processed with a 3 kW continuous wave CO2 laser. The cladded coating possessed the hypoeutectic microstructure of the primary dendritic gamma-austenite and interdendritic eutectic consisting of (gamma+M7C3). The gamma-austenite is a nonequilibrium phase with extended solid solution of alloying elements. And, a great deal of fine structures, i.e., a high density of dislocations, twins, and stacking faults existed in austenite phase. During high temperature aging, the precipitation of M23C6, MC and M2C in austenite and in situ transformation of M7C3(+gamma) --> M23C6 and M7C3+gamma --> M6C occurred. The laser clad coating revealed an evident secondary hardening and superior impact wear resistance.

Long-range automaton models of earthquakes: Power-law accelerations, correlation evolution, and mode-switching

We introduce a conceptual model for the in-plane physics of an earthquake fault. The model employs cellular automaton techniques to simulate tectonic loading, earthquake rupture, and strain redistribution. The impact of a hypothetical crustal elastodynamic Green's function is approximated by a long-range strain redistribution law with a r(-p) dependance. We investigate the influence of the effective elastodynamic interaction range upon the dynamical behaviour of the model by conducting experiments with different values of the exponent (p). The results indicate that this model has two distinct, stable modes of behaviour. The first mode produces a characteristic earthquake distribution with moderate to large events preceeded by an interval of time in which the rate of energy release accelerates. A correlation function analysis reveals that accelerating sequences are associated with a systematic, global evolution of strain energy correlations within the system. The second stable mode produces Gutenberg-Richter statistics, with near-linear energy release and no significant global correlation evolution. A model with effectively short-range interactions preferentially displays Gutenberg-Richter behaviour. However, models with long-range interactions appear to switch between the characteristic and GR modes. As the range of elastodynamic interactions is increased, characteristic behaviour begins to dominate GR behaviour. These models demonstrate that evolution of strain energy correlations may occur within systems with a fixed elastodynamic interaction range. Supposing that similar mode-switching dynamical behaviour occurs within earthquake faults then intermediate-term forecasting of large earthquakes may be feasible for some earthquakes but not for others, in alignment with certain empirical seismological observations. Further numerical investigation of dynamical models of this type may lead to advances in earthquake forecasting research and theoretical seismology.

Microstructural evolution and formation of nanocrystalline intermetallic compound during surface mechanical attrition treatment of cobalt

Nanocrystalline intermetallic Co3Fe7 was produced on the surface of cobalt via surface mechanical attrition (SMA). Deformationinduced diffusion entailed the formation of a series of solid solutions. Phase transitions occurred depending on the atomic fraction of Fe in the surface solid solutions: from hexagonal close-packed (<4% Fe) to face-centered cubic (fcc) (4-11% Fe), and from fcc to body-centered cubic (>11% Fe). Nanoscale compositional probing suggested significantly higher Fe contents at grain boundaries and triple junctions than grain interiors. Short-circuit diffusion along grain boundaries and triple junctions dominate in the nanocrystalline intermetallic compound. Stacking faults contribute significantly to diffusion. Diffusion enhancement due to high-rate deformation in SMA was analyzed by regarding dislocations as solute-pumping channels, and the creation of excess vacancies. Non-equilibrium, atomic level alloying can then be ascribed to deformation-induced intermixing of constituent species. The formation mechanism of nanocrystalline intermetallic grains on the SMA surface can be thought of as a consequence of numerous nucleation events and limited growth. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Nanocrystalline Formation during Mechanical Attrition of Cobalt

The nanocrystalline (nc) formation was studied in cobalt (a mixture of c (hexagonal close packed) and gamma (face-centered cubic) phases) subjected to surface mechanical attrition treatment. Electron microscopy revealed the operation of {10(1) over bar 0}< 11(2) over bar 0 > prismatic and {0001}< 11(2) over bar 0 > basal slip in the E phase, leading to the successive subdivision of grains to nanoscale. In particular, the dislocation splitting into the stacking faults was observed to occur in ultrafine and nc grains. By contrast, the planar dislocation arrays, twins and martensites were evidenced in the gamma phase. The strain-induced gamma ->epsilon martensitic transformation was found to progress continuously in ultrafine and nc grains as the strain increased. The nc formation in the gamma phase was interpreted in terms of the martensitic transformation and twinning.

Atomistic Simulation On Size-Dependent Yield Strength And Defects Evolution Of Metal Nanowires

A simple derivation based on continuum mechanics is given, which shows the surface stress is critical for yield strength at ultra-small scales. Molecular dynamics (MD) simulations with modified embedded atom method (MEAM) are employed to investigate the mechanical behaviors of single-crystalline metal nanowires under tensile loading. The calculated yield strengths increasing with the decrease of the cross-sectional area of the nanowires are in accordance with the theoretical prediction. Reorientation induced by stacking faults is observed at the nanowire edge. In addition. the mechanism of yielding is discussed in details based on the snapshots of defects evolution. The nanowires in different crystallographic orientations behave differently in stretching deformation. This study on the plastic properties of metal nanowires will be helpful to further understanding of the mechanical properties of nanomaterials. (C) 2009 Elsevier B.V. All rights reserved.

A high-speed image sensing technique with adjustable frame rate based on an ordinary CCD

In the sinusoidal phase modulating interferometer technique, the high-speed CCD is necessary to detect the interference signals. The reason of ordinary CCD's low frame rate was analyzed, and a novel high-speed image sensing technique with adjustable frame rate based on ail ordinary CCD was proposed. And the principle of the image sensor was analyzed. When the maximum frequency and channel bandwidth were constant, a custom high-speed sensor was designed by using the ordinary CCD under the control of the special driving circuit. The frame rate of the ordinary CCD has been enhanced by controlling the number of pixels of every frame; therefore, the ordinary of CCD can be used as the high frame rate image sensor with small amount of pixels. The multi-output high-speed image sensor has the deficiencies of low accuracy, and high cost, while the high-speed image senor with small number of pixels by using this technique can overcome theses faults. The light intensity varying with time was measured by using the image sensor. The frame rate was LIP to 1600 frame per second (f/s), and the size of every frame and the frame rate were adjustable. The correlation coefficient between the measurement result and the standard values were higher than 0.98026, and the relative error was lower than 0.53%. The experimental results show that this sensor is fit to the measurements of sinusoidal phase modulating interferometer technique. (c) 2007 Elsevier GmbH. All rights reserved.

Tensile and compressive mechanical behavior of twinned silicon carbide nanowires

Molecular dynamics simulations with the Tersoff potential were used to study the response of twinned SiC nanowires under tensile and compressive strain. The critical strain of the twinned nanowires can be enhanced by twin stacking faults, and their critical strains are larger than those of perfect nanowires with the same diameters. Under axial tensile strain, the bonds of the nanowires are stretched just before failure. The failure behavior is found to depend on the twin segment thickness and the diameter of the nanowires. An atomic chain is observed for thin nanowires with small twin segment thickness under tension strain. Under axial compressive strain, the collapse of twinned SiC nanowires exhibits two different failure modes, depending on the length and diameter of the nanowires, i.e., shell buckling for short nanowires and columnar buckling for longer nanowires.

Microstructure and Optical Properties of Nonpolar m-Plane GaN Films Grown on m-Plane Sapphire by Hydride Vapor Phase Epitaxy

Thick nonpolar (10 (1) over bar0) GaN layers were grown on m-plane sapphire substrates by hydride vapor phase epitaxy (HVPE) using magnetron sputtered ZnO buffers, while semipolar (10 (1) over bar(3) over bar) GaN layers were obtained by the conventional two-step growth method using the same substrate. The in-plane anisotropic structural characteristics and stress distribution of the epilayers were revealed by high. resolution X-ray diffraction and polarized Raman scattering measurements. Atomic force microscopy (AFM) images revealed that the striated surface morphologies correlated with the basal plane stacking faults for both (10 (1) over bar0) and (10 (1) over bar(3) over bar) GaN films. The m-plane GaN surface showed many triangular-shaped pits aligning uniformly with the tips pointing to the c-axis after etching in boiled KOH, whereas the oblique hillocks appeared on the semipolar epilayers. In addition, the dominant emission at 3.42eV in m-plane GaN films displayed a red shift with respect to that in semipolar epilayers, maybe owing to the different strain states present in the two epitaxial layers. [DOI: 10.1143/JJAP.47.3346]

Nature of interfacial defects and their roles in strain relaxation at highly lattice mismatched 3C-SiC/Si (001) interface

Misfit defects in a 3C-SiC/Si (001) interface were investigated using a 200 kV high-resolution electron microscope with a point resolution of 0.194 nm. The [110] high-resolution electron microscopic images that do not directly reflect the crystal structure were transformed into the structure map through image deconvolution. Based on this analysis, four types of misfit dislocations at the 3C-SiC/Si (001) interface were determined. In turn, the strain relaxation mechanism was clarified through the generation of grow-in perfect misfit dislocations (including 90 degrees Lomer dislocations and 60 degrees shuffle dislocations) and 90 partial dislocations associated with stacking faults. (C) 2009 American Institute of Physics. [doi:10.1063/1.3234380]

Structural characterization of epitaxial lateral overgrown GaN on patterned GaN/GaAs(001) substrates

Epitaxial lateral overgrown (ELO) cubic GaN (c-GaN) on SiO2 patterned GaN/GaAs(0 0 1) substrates by metalorganic vapor phase epitaxy was investigated using transmission electron microscopy and X-ray diffraction (XRD) measurements. The density of stacking faults (SFs) in ELO c-GaN was similar to6 x 10(8) cm(-2), while that in underlying GaN template was similar to5 x 10(9) cm(-2). XRD measurements showed that the full-width at half-maximum of c-GaN (0 0 2) rocking curve decreased from 33 to 17.8 arcmin, indicating the improved crystalline quality of ELO c-GaN. The mechanism of SF reduction in ELO c-GaN was also discussed. (C) 2002 Elsevier Science B.V. All rights reserved.

Influences of initial nitridation process on the optical and structural characterization of GaN layer grown on sapphire (0001) by metalorganic chemical vapor deposition

In this paper. we investigate the influences of the initial nitridation of sapphire substrates on the optical and structural characterizations in GaN films. Two GaN samples with and without 3 min nitridation process were investigated by photoluminescence (PL) spectroscopy in the temperature range of 12-300 K and double-crystal X-ray diffraction (XRD). In the 12 K PL spectra of the GaN sample without nitridation, four dominant peaks at 3.476, 3.409 3.362 and 3.308 eV were observed, which were assigned to donor bound exciton, excitons bound to stacking faults and extended structural defects. In the sample with nitridation, three peaks at 3.453, 3.365. and 3.308 eV were observed at 12 K, no peak related to stacking faults. XRD results at different reflections showed that there are more stacking faults in the samples without nitridation.

Effect of Si doping on cubic GaN films grown on GaAs(100)

Epitaxial layers of cubic GaN have been grown by metalorganic vapor-phase epitaxy (MOVPE) with Si-doping carrier concentration ranging from 3 x 10(18) to 2.4 x 10(20)/cm(3). Si-doping decreased the yellow emission of GaN. However, the heavily doped n-type material has been found to induce phase transformation. As the Si-doping concentration increases, the hexagonal GaN nanoparticles increase. Judged from the linewidth of X-ray rocking curve, Si-doping increases the density of dislocations and stacking faults. Based on these observations, a model is proposed to interpret the phase transformation induced by the generated microdefects, such as dislocations and precipitates, and induced stacking faults under heavy Si-doping. (C) 1999 Elsevier Science B.V. All rights reserved.

TEM study of dislocations in ZnTe/GaAs heterostructure grown by hot-wall epitaxy

A ZnTe layer grown on GaAs substrate by hot-wall epitaxy (HWE) was studied using transmission electron microscopy (TEM). For a (110) cross-sectional specimen, its (001) ZnTe/GaAs interface was analysed by large angle stereo-projection (LASP) and high resolution electron microscopy (HREM). In the LASP, a double diffraction occurred and moire fringes were formed, meanwhile misfit dislocations were revealled clearly by weak beam technique. In HREM, not only Lomer and 60 degrees types of misfit dislocations were observed, but also two types of stacking faults were analysed. The residual strain was estimated by both methods.