The homogeneization quenching of platinum

In this paper the defect structure of platinum during homogeneization quenching has been studied by transmission electron microscopy on electropolished foils. Several black dots about 100 Å in diameter have been observed on the foils, corresponding to a density of the order of 10¹⁴ ?3. The dots have been interpreted as clusters of vacancies retained in the presence of impurities. The analysis of the number of quenched-in vacancies leads to the conclusion that the clusters are spherical and about 110 Å in diameter. In contrast to copper no dislocation density growth with the number of quenchings could be observed as the dislocation density is less than 10⁸ cm^?2, which could not be detected exactly enough by the electron microscope method.     

Mechanism of recovery of the mechanical properties of neutron-irradiated metals in the course of thermocycling

The mechanism of recovery of the strength and strain characteristics of neutron-irradiated metals and alloys (up to their initial values observed prior to irradiation) during periodic quenching in the temperature range below the irradiation temperature is considered. It is assumed that the removal of radiation-induced defects (interstitial and vacancy loops) from radiation-hardened metals is associated with the formation of defect-free channels along the slip planes (the phenomenon of dislocation channeling) under the thermal stresses arising in each cycle of quenching. The relationships describing both the kinetics of the decrease in the yield strength σ_Y and in the ultimate strength σ_U and the kinetics of the increase in the uniform strain ε_U of a preliminarily irradiated material with increasing number of quenching cycles are derived using the equations of dislocation kinetics. The theoretical results obtained are compared with experimental data on the kinetics of recovery of the mechanical properties of neutron-irradiated samples (the austenitic FeNiCr and ferritic FeCrMo structural steels and the titanium alloy TiAlZr) in the course of periodic quenching.     

A Metallografic study of the homogeneization quenching of copper

During homogeneization quenching the dislocation density in copper grows up to saturation and the dislocation structure becomes stabilized. This process is realized on quenching into gases and liquids, i.e. at both lower and higher quenching rates. Grain growth is also observed. The dislocation structure formed by cold-working is removed by annealing at temperatures near to the melting point in a time interval shorter than 30 minutes and the dislocation density reaches a stable value, growing with decreasing thickness of the specimen.The authors would like to thank Dr. K. Míek, CSc. (Institute of Solid State Physics, Czechosl. Acad. Sci., Prague) for his comments, Dr. J. Kuera CSc. and Dr. P. Luká, CSc. (Institute of Metallurgy, Czechosl. Acad. Sci., Brno) for critical remarks on the paper and Mrs. J. Zoubková for assistance with the experiments.     

高应变率压缩下纳米孔洞对金属铝塑性变形的影响研究

本文利用分子动力学模拟方法研究了含纳米孔洞金属铝在[110]晶向高应变率单轴压缩下弹塑性变形的微观过程. 对比单孔洞和完整单晶的模型, 讨论了多孔金属的应力应变关系及其位错发展规律. 研究结果表明, 对于多孔模型的位错积累过程, 位错密度随应变的增加可大致分为两个线性阶段. 由同一个孔洞生成的位错在相互靠近过程中, 其滑移速度越来越小; 随着位错继续滑移, 源自不同孔洞的位错之间开始交叉相互作用导致应变硬化. 达到流变峰应力之后又由于位错密度增殖速率升高发生软化. 当应变增加到11.8%时, 所有孔洞几乎完全坍缩, 并观察到在此过程中有棱位错生成.     

Volume density of dislocation lock sources

In this paper, we estimate the volume density of dislocation sources formed as a result of contact interaction between dislocations slipping in an octahedral plane and Lomer-Cottrell dislocation locks. Assuming that during the deformation each dislocation source forms a slip trace, we estimate the average distance between slip traces. This distance turns out to be two to three orders of magnitude less than the experimentally observed value. We draw the conclusion that dislocation lock sources may ensure plastic deformation of fcc crystals.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 62–64, February, 1996.     

半绝缘砷化镓单晶中碳微区分布的研究

通过AB腐蚀（由Abrahams和Buiocchi发明的腐蚀方法，简称AB腐蚀）、KOH腐蚀，经金相显微镜观察、透射电子显微镜能谱分析、电子探针x射线微区分析，对液封直拉法生长的非掺 半绝缘砷化镓单晶中碳的微区分布进行了分析研究.实验结果表明，碳的微区分布受单晶中 高密度位错网络结构的影响.高密度位错区，位错形成较小的胞状结构，且胞内不存在孤立 位错，碳在单个胞内呈U型分布；较低密度位错区，胞状结构直径较大，且胞内存在孤立位 错，碳在单个胞内呈W型分布. 关键词： 半绝缘砷化镓 胞状位错 碳受主     

Effect of electrolytic colouration on dislocation density in KBr and KCl

Average dislocation density in a number of electrolytically coloured and uncoloured crystals of KBr and KCl has been measured using the etch-pit technique. A decrease in density of dislocation after electrolytic colouration has been observed. This is attributed to the change in the dislocation pattern inside the crystals during colouration to produce more number of vacancies under the typical conditions of large electric field gradient at high temperature.     

Bulk and Surface Quenching of Structural Steel: Morphological Analysis of the Structure

Structures formed in medium-carbon low-alloy steels during bulk quenching from furnace heating and surface quenching initiated by a low-power high-current electron beam are investigated by the methods of diffraction electron microscopy. The influence of the carbon concentration, initial austenite grain size, and cooling rate on the morphology of martensitic crystals and self-tempered carbide particles, long-range stress fields inside a packet and plates, and their dislocation substructure is analyzed. The temperature intervals for the formation of high-temperature plate martensitic crystals and packet (lath) martensite are estimated. It is demonstrated that the structure formed at ultrahigh heating and cooling rates is determined mostly by the morphology of martensite in the initial steel samples.     

Effect of copper on dislocation luminescence centers in silicon

The effect of copper on dislocation luminescence centers in silicon has been investigated using photoluminescence and transmission electron microscopy. It has been demonstrated that there exist two main mechanisms responsible for quenching of dislocation luminescence by the copper impurity. The first mechanism is dominant at high copper concentrations and associated with the decrease in the time of nonradiative recombination of nonequilibrium charge carriers due to the formation of copper precipitates in silicon. This leads to the quenching of the entire dislocation luminescence and the edge exciton luminescence. The second mechanism is associated with the interaction of individual copper atoms with deep dislocation centers D1/D2, which results in the passivation of the recombination activity of these centers. This mechanism takes place even at room temperature and is highly effective at low copper concentrations.     

单向拉伸作用下Cu(100)扭转晶界塑性行为研究

应用分子动力学方法研究了在不同扭转角度下的Cu（100）失配晶界位错结构,以及不同位错结构对晶界强度的影响.模拟结果表明：小角度扭转晶界上将形成失配位错网,失配位错密度随着晶粒之间的失配扭转角度的增加而增加.变形过程中,位错网每个单元中均产生位错形核扩展.位错之间的塞积作用影响晶界的屈服强度：随着位错网格密度的增加,位错之间的塞积作用增强,界面的屈服强度得到提高.大角度扭转晶界将形成面缺陷,在变形中位错由晶界角点处形核扩展,此时由于面缺陷位错开动应力趋于一致,因此晶界的临界屈服强度趋于定值. 关键词： 扭转晶界 失配位错网 强化机理 分子动力学     

Structural and optical characterization of GaN heteroepitaxial films on SiC substrates

We have estimated the threading dislocation density and type via X-ray diffraction and Williamson-Hall analysis to elicit qualitative information directly related to the electrical and optical quality of GaN epitaxial layers grown by PAMBE on 4H- and 6H-SiC substrates. The substrate surface preparation and buffer choice, specifically: Ga flashing for SiC oxide removal, controlled nitridation of SiC, and use of AlN buffer layers all impact the resultant screw dislocation density, but do not significantly influence the edge dislocation density. We show that modification of the substrate surface strongly affects the screw dislocation density, presumably due to impact on nucleation during the initial stages of heteroepitaxy.     

Modeling of Dislocation Generation and Interaction During High-Speed Deformation of Metals

Recent experiments by Kiritani et al. [1] have revealed a surprisingly high rate of vacancy production during high-speed deformation of thin foils of fcc metals. Virtually no dislocations are seen after the deformation. This is interpreted as evidence for a dislocation-free deformation mechanism at very high strain rates. We have used molecular-dynamics simulations to investigate high-speed deformation of copper crystals. Even though no pre-existing dislocation sources are present in the initial system, dislocations are quickly nucleated and a very high dislocation density is reached during the deformation. Due to the high density of dislocations, many inelastic interactions occur between dislocations, resulting in the generation of vacancies. After the deformation, a very high density of vacancies is observed, in agreement with the experimental observations. The processes responsible for the generation of vacancies are investigated. The main process is found to be incomplete annihilation of segments of edge dislocations on adjacent slip planes. The dislocations are also seen to be participating in complicated dislocation reactions, where sessile dislocation segments are constantly formed and destroyed.     

Dynamics of threading dislocations in porous heteroepitaxial GaN films

Behavior of threading dislocations in porous heteroepitaxial gallium nitride (GaN) films has been studied using computer simulation by the two-dimensional discrete dislocation dynamics approach. A computational scheme, where pores are modeled as cross sections of cylindrical cavities, elastically interacting with unidirectional parallel edge dislocations, which imitate threading dislocations, is used. Time dependences of coordinates and velocities of each dislocation from dislocation ensembles under investigation are obtained. Visualization of current structure of dislocation ensemble is performed in the form of a location map of dislocations at any time. It has been shown that the density of appearing dislocation structures significantly depends on the ratio of area of a pore cross section to area of the simulation region. In particular, increasing the portion of pores surface on the layer surface up to 2% should lead to about a 1.5-times decrease of the final density of threading dislocations, and increase of this portion up to 15% should lead to approximately a 4.5-times decrease of it.     

Peculiarities of dislocation structure at surface of deformed crystals

An experimental study of the distribution of edge and screw dislocation components in deformed LiF crystals at external surface parallel to Burgers vector of mobile dislocations was performed. At the surface we observed a layer with low density of edge and screw dislocations compared to the dislocation density in the bulk. The thickness of this layer was tens of microns. The experimental results are explained on the basis of analysis of dislocation structure evolution at surface layers during the plastic deformation.     

XRD法计算4H-SiC外延单晶中的位错密度

对用X射线衍射法计算4H-SiC外延中的位错密度方法进行了理论和实验研究。材料中的位错密度大于106 cm-2会给材料位错密度的测试会带来一定的困难。首先从理论上分析了位错密度对X射线衍射结果的影响,得出位错密度和峰宽FWHM展宽的关系。然后对4H-SiC样品进行了X射线三轴晶ω-2θ测试,采用不同晶面衍射峰,计算出样品的位错密度。分析了外延中位错产生的原因,并提出了相应的解决办法。     

Model of ideal relaxation of thermoelastic stresses in the course of growth of single crystals

A simple dislocation model is proposed for relaxation of thermoelastic stresses generated during the growth of single crystals from a melt. This model does not require a solution of the kinetic equations for dislocations involved in relaxation and makes it possible to obtain the lower estimate of the dislocation density in the bulk of a grown crystal.     

Theory and simulation of coupled grain boundary migration and grain rotation in low angle grain boundaries

Abstract

Microstructure evolution due to coupled grain boundary migration and grain rotation in low angle grain boundaries is studied through a combination of molecular dynamics and phase field modeling. We have performed two dimensional molecular dynamics simulations on a bicrystal with a circular grain embedded in a larger grain. Both size and orientation of the embedded grain are observed to evolve with time. The shrinking embedded grain is observed to have two regimes: constant dislocation density on the grain boundary followed by constant rate of increase in dislocation density. Based on these observations from the molecular dynamics simulations, a theoretical formulation of the kinetics of coupled grain rotation is developed. The grain rotation rate is derived for the two regimes of constant dislocation density and constant rate of change of dislocation density on the grain boundary during evolution. The theoretical calculation of the grain rotation rate shows strong dependence on the grain size and compares very well with the molecular dynamics simulations. A multi-order parameter based phase field model with coupled grain rotation is developed using the theoretical formulation to model polycrystalline microstructure evolution.     

Stress‐enhanced dislocation density reduction in multicrystalline silicon

Stress is generally perceived to be detrimental for multicrystalline silicon (mc‐Si), leading to dislocation multiplication during crystal growth and processing. Herein, we evaluate the role of stress as a driving force for dislocation density reduction in mc‐Si. At high temperatures, close to the melting point (>0.8T_m), we observe that the application of stress as well as the relief of residual stress, can modify the density of pre‐existing dislocations in as‐grown mc‐Si under certain conditions, leading to a net local reduction of dislocation density. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

On the generation of vacancies by moving dislocations

New experiments of Molenaar and Aarts, Blewitt and others seem to confirm the view of the author, previously based only on the experiments of Gyulai and Hartly and Stepanow on sodium chloride, that vacant lattice sites, and possibly interstitial atoms, are generated during plastic flow in ductile crystals, particularly in metals. It is pointed out that the average temperatures near a moving dislocation are probably not sufficiently high to evaporate vacant lattice sites or interstitial atoms as a result of thermal effects alone. Instead, one apparently must conclude that the imperfections are generated either by purely geometrical means during the looping of dislocations about appropriate obstacles, as the result of dynamical instability in the motion of a dislocation, possibly near a jog, or in the very high thermal pulses or ‘spikes’ which are generated either in the zone where two dislocations of opposite sign annihilate one another or near impediments where dislocations are strongly curved. It is pointed out that a pair of vacancies is probably stable near room temperature and may diffuse more rapidly than a single vacancy. It is also proposed that vacancies retained during quenching of Al-Cu alloys and those generated by cold-work play an important role in the precipitation process. The origin of work hardening in single crystals is discussed and several alternative interpretations, which involve the impediment of Frank-Read generators either directly or indirectly as a consequence of the generation of vacancies, are presented. The importance of prismatic dislocations formed by condensation of vacancies is restated. The role that vacancies formed by cold-work may play in determining the stored energy and decrease in density and in affecting processes such as creep and the hardening of latent slip planes is also discussed. Finally a few experiments are proposed, typical of those which could prove decisive in isolating the influence of vacancies.     

Atomistic simulation of the stacking fault energy and grain shape on strain hardening behaviours of FCC nanocrystalline metals

ABSTRACT

Ultra-fine grained copper with nanotwins is found to be both strong and ductile. It is expected that nanocrystalline metals with lamella grains will have strain hardening behaviour. The main unsolved issues on strain hardening behaviour of nanocrystalline metals include the effect of stacking fault energy, grain shape, temperature, strain rate, second phase particles, alloy elements, etc. Strain hardening makes strong nanocrystalline metals ductile. The stacking fault energy effects on the strain hardening behaviour are studied by molecular dynamics simulation to investigate the uniaxial tensile deformation of the layer-grained and equiaxed models for metallic materials at 300?K. The results show that the strain hardening is observed during the plastic deformation of the layer-grained models, while strain softening is found in the equiaxed models. The strain hardening index values of the layer-grained models decrease with the decrease of stacking fault energy, which is attributed to the distinct stacking fault width and dislocation density. Forest dislocations are observed in the layer-grained models due to the high dislocation density. The formation of sessile dislocations, such as Lomer–Cottrell dislocation locks and stair-rod dislocations, causes the strain hardening behaviour. The dislocation density in layer-grained models is higher than that in the equiaxed models. Grain morphology affects dislocation density by influencing the dislocation motion distance in grain interior.