温度对大角度晶界变形过程影响的晶体相场法研究

应用晶体相场法研究大角度晶界在外加应力作用下温度对位错运动的影响。研究表明,大角度晶界在应力作用下会发生形状变化;当变形达到临界应变时,晶界褶皱处产生位错并发射进入晶粒内部;温度较低时,晶界处位错形核所需的临界应变更大。在应力作用下大角度晶界通过改变曲率和位错运动产生迁移,温度较高时有利于晶界迁移。     

不同温度下bcc-Fe中螺位错滑移及其与1/2[111ˉ]位错环相互作用行为

采用分子动力学方法模拟研究了不同温度下bcc-Fe中螺位错滑移行为和螺位错与1/2[11ˉ1]位错环相互作用机制.结果表明,螺位错在低温2 K剪切应力下主要沿(ˉ211)面滑移;随温度逐渐升高到823 K,它容易发生交滑移,该交滑移在(ˉ110)和(ˉ211)面之间交替进行,因此随温度升高,临界剪切应力逐渐降低.当螺位错滑移靠近位错环时,不同温度下螺位错与位错环相互作用机制不同:低温2 K时,螺位错与位错环之间存在斥力作用,当螺位错滑移靠近位错环过程中,螺位错发生交滑移,切应力比无位错环时有所降低;中温300 K和600 K时,螺位错与位错环间斥力对螺位错的滑移影响减弱,螺位错会滑移通过位错环并与之形成螺旋结构,阻碍螺位错继续滑移,切应力有所升高;高温823 K时,螺位错因热激活更易发生交滑移,位错环也会滑移,两者在整个剪切过程中不接触,剪切应力最低.     

Morse势函数和钼单晶临界切应力的温度依赖性

Ｍｏｒｓｅ势函数和钼单晶临界切应力的温度依赖性龙期威中国科学院金属研究所，中国科学院国际材料物理中心沈阳１１００１５位错中心原子相互作用对于它的结构及范性行为有很重要的作用［１］。几乎和国外同时，本文作者等与艹勾清泉教授合作开展了金属力学性质的原子...     

α-Fe纯I型裂纹扩展中位错形成过程的三维分子动力学模拟

通过分子动力学方法模拟了三维 α-Fe I型裂纹的单向拉伸实验中的裂纹扩展过程。研究了在不同温度下裂纹扩展时位错的形成过程和断裂机理。计算结果表明,裂纹扩展过程是位错不断发射的过程。 裂纹尖端附近先形成无位错区和层错,当裂纹处应力增加到KI=0.566 MPam1/2时,裂纹尖端附近的某一层原子会逐渐分叉形成两层原子,分层后的原子层继续分离形成位错;当应力KI 达到0.669MPam1/2时第一个位错发射。随着温度的升高,临界应力强度因子逐渐降低,同时位错发射也相应地加快。     

α-Fe纯I型裂纹扩展中位错形成过程的三维分子动力学模拟

通过分子动力学方法模拟了三维 α-Fe I型裂纹的单向拉伸实验中的裂纹扩展过程。研究了在不同温度下裂纹扩展时位错的形成过程和断裂机理。计算结果表明,裂纹扩展过程是位错不断发射的过程。 裂纹尖端附近先形成无位错区和层错,当裂纹处应力增加到KI=0.566 MPam1/2时,裂纹尖端附近的某一层原子会逐渐分叉形成两层原子,分层后的原子层继续分离形成位错;当应力KI 达到0.669MPam1/2时第一个位错发射。随着温度的升高,临界应力强度因子逐渐降低,同时位错发射也相应地加快。     

应力预释放对单晶硅片的压痕位错滑移的影响

单晶硅片的压痕位错在一定温度下的滑移距离反映了硅片的机械强度. 压痕位错的滑移是受压痕的残余应力驱动的, 因此研究残余应力与位错滑移之间的关系具有重要的意义. 本文首先采用共聚焦显微拉曼术研究了单晶硅片压痕的残余应力经过300或500 ℃ 热处理后的预释放, 然后研究了上述应力预释放对压痕位错在后续较高温度(700–900 ℃)热处理过程中滑移的影响. 在未经应力预释放的情况下, 压痕位错在700–900 ℃热处理2 h后即可滑移至最大距离. 当经过上述预应力释放后, 位错在900 ℃热处理2 h后仍能达到上述最大距离, 但位错滑移速度明显降低; 而在700和800 ℃时热处理2 h后的滑移距离变小, 其减小幅度在预热处理温度为500 ℃时更为显著. 然而, 进一步的研究表明: 即使经过预应力释放, 只要足够地延长700和800 ℃ 的热处理时间, 位错滑移的最大距离几乎与未经预应力释放情形时的一样. 根据以上结果, 可以认为在压痕的残余应力大于位错在某一温度滑移所需临界应力的前提下, 压痕位错在某一温度滑移的最大距离与应力大小无关, 不过达到最大距离所需的时间随应力的减小而显著增长.     

Morse势函数和钼单晶等的临界切应力的温度依赖性

综述了以往钼、铁、铝、镁等单晶临界切应力温度依赖性的实验；指出：在滑移系统不变的条件下，在一定的温度范围内，临界切应力和温度呈近似指数关系是相当普遍的规律。Ｍｏｒｓｅ势函数应用和实验的吻合说明原子间力对屈服应力的重要作用。结合近来发展讨论今后的发展，指出金属范性的本质深入到电子结构层次研究的重要意义。     

单晶硅片中的位错在快速热处理过程中的滑移

研究了单晶硅片中维氏压痕诱生的位错在不同气氛下高温快速热处理中的滑移行为.研究表明: 在快速热处理时, 位错在压痕残余应力的弛豫过程中能发生快速滑移; 当快速热处理温度高于1100℃时, 在氮气氛下处理的硅片比在氩气氛下处理的硅片有更小的位错滑移距离. 我们认为这是由于氮气氛下的高温快速热处理在压痕处注入的氮原子钉扎了位错, 增加了位错的临界滑移应力, 从而在相当程度上抑制了位错的滑移. 可以推断氮气氛下的高温快速热处理注入的氮原子增强了硅片的机械强度. 关键词： 快速热处理 位错滑移 机械性能 单晶硅     

非对称倾侧亚晶界的晶体相场法研究

采用晶体相场法研究非对称倾侧亚晶界结构及其在应力作用下的微观运动机制.分别从温度、倾斜度角以及应力施加方向等方面对其结构及迁移过程进行分析和讨论.结果表明,非对称倾侧亚晶界由符号相同的一排刃型位错等距排列,部分出现由两个相互垂直排列的刃型位错构成的位错组;在应力作用下,非对称倾侧亚晶界迁移的微观机制包括位错的滑移和攀移、位错组分解、单个位错与位错组反应、单个位错分解以及位错湮灭;温度降低和倾斜度增大都会阻碍亚晶界的迁移过程;应力方向改变导致位错运动方向改变,从而改变晶界迁移形式.     

纳米晶体材料中小角度晶界湮没过程研究

本文针对纳米晶材料演化过程中的小角度晶界湮没,建立位错运动方程,计算模拟小角度晶界的晶格位错在外应力的作用下发生的运动,结果表明导致小角度晶界湮没的重要原因是切应力作用,破坏了晶界位错的受力平衡。这种湮没过程导致了高浓度的可整体移动的晶格位错形成。在纳米晶体材料中,这种被施加应力诱发的位错集体迁移,具有可塑的局部流动特性。     

Kinetics of Plastic Deformation in CuBr Single Crystals at Low Temperatures

Single crystals of CuBr with zincblende structure, deformed in compression at a strain rate 2×10^-4 s^-1 between room and liquid-nitrogen temperatures, exhibit two well-defined regions in the critical resolved shear stress (CRSS) versus temperature relationship. At rather low temperatures in the range from 78 to 150 K, the slope d ln /dT of the straight line fitted to the data points plotted in log-linear coordinates is found to be 2.9 times greater than that at temperatures between 150 and 300 K. Similar behaviour is also observed in the case of temperature dependence of activation volume associated with the CRSS. Data analysis in terms of the kink-pair nucleation model of plastic flow shows that stress-assisted thermally-activated escape of screw dislocations trapped in Peierls troughs induces slip below about 150 K. At temperatures above 150 K, CRSS is determined by the unpinning of edge-dislocation segments from groups of randomly dispersed point defects, e.g. residual gaseous and metallic impurities, deformation-induced defects formed during the pre-yield stage etc.     

Kinetics of flow stress in crystals with high intrinsic lattice friction

A relatively simple theoretical model, based on the concept of kink-pair mode of escape of screw dislocations trapped in Peierls valleys, has been developed to account for the observed temperature dependence of the critical resolved shear stress (CRSS), τ, and of the associated activation volume, v, in crystals with high intrinsic lattice friction at rather low temperatures. In this model, the CRSS varies with temperature T as τ^1/2?=?A–BT, and the associated activation volume v depends on temperature T as v ^?1?=?C–DT, where A, B, C and D are positive constants. Moreover, the activation volume v is found to be a function of τ such that vτ^1/2 is constant for a given slip system. Data analysis of the temperature dependence of the CRSS of W, α-Fe, Cr and V metal crystals shows excellent agreement between theory and experiment in both regime III (low temperature or high stress) and regime II (intermediate temperature/stress). However, the predicted temperature and stress dependence of the activation volume are borne out by experiment in regime II, but lack quantitative agreement in regime III. On the other hand, the CRSS of CdTe crystals at low temperatures (T?≤?200?K) is determined by the Peierls mechanism, whereas the weak temperature dependence of the CRSS above 200?K is probably governed by the breakaway of edge dislocation segments from arrays of pinning points due to localized defects in the crystal.     

On solid solution hardening in crystals with randomly distributed solute atoms

The temperature dependence of the critical resolved shear stress (CRSS) of solid solution single crystals is explained on the basis of random distribution of solute atoms in the alloy. The calculated temperature dependence of CRSS in a crystal with both isolated solute atoms and their pairs is very similar to the experimentally observed one, i.e., the pronounced temperature independent region, so called plateau, appears.     

Deformation of Cd-based alloys single crystals at very low temperatures

The temperature dependence of the critical resolved shear stress — CRSS on Cd-Ag andCd-Zn single crystals was studied at very low temperatures 1·5–80 K. The deformation experi-ments were made by a creep technique. The CRSS for Cd-Ag alloys was determined from re-constructed shear stress — shear strain curves, while the method of one sample was applied tothe determination of ₀-T dependence for Cd-Zn alloys. The difference in the temperaturedependences of ₀ for both Cd-based alloys can be caused by different methods for determiningthe CRSS.     

Deformation of the aged Cu-1·1 at% Ti single crystals at 200 K

The effect of the age hardening on the critical resolved shear stress (CRSS) of Cu-1·1 at% Ti single crystals was measured at 200 K. The dependence of the CRSS on the ageing time exhibits two maxima. This behaviour is connected with the change of the microstructure Cu-Ti alloy during the ageing. The comparison of the experimental values of the CRSS with the stress corresponding to the elastic stresses due to concentration modulations (Cahn [6]) shows that this spinodal strengthening is the major effect.It is the author's pleasure to thank Dr. M. Saxlov, Dr. J. Balik and Dr. R. Wagner, who kindly helped them with many stimulative comments. Also the determination of the Ti content in all samples by Prof. J. Verbský and Dr. Z. Ksandr of the Chemical College is acknowledge.     

Temperature-dependent critical resolved shear stress model for (Cu–Au)–Co alloys in pure shear mode

Based on a limited energy storage viewpoint proposed by our team, it is assumed that there is a maximum constant value for the maximum storage of energy per unit volume when dislocation slip starts in a metal. A temperature-dependent critical resolved shear stress (CRSS) model without any fitting parameters is developed for metals in a pure shear mode. The CRSSs of Cu, Cu–Au, Cu–Co and Cu–Au–Co in the pure shear mode are predicted, and are in excellent agreement with the experimental results. This work offers an approach to predict the temperature-dependent CRSS for metals in the pure shear mode.     

The effect of carbon content on the beginning of slip in single crystals of Fe-3·2 wt%Si alloy

Specimens with 18 ppm and 100 ppm carbon of different orientations were deformed by compression (?～1·1×10^?4 s^?1) at the temperatures 150 °K, 195 °K, 293 °K, 393 °K and 483 °K. The measuredΨ(χ) andτ(χ) curves are presented. The changes of the curves caused by increased carbon content are discussed from the point of view of the low temperature induced cross-slip. Deviations from the Schmid law of critical resolved shear stress are found for both carbon contents. The dependence of the CRSS on temperature for specimens of standard purity has a slightly different course for orientationχ=?30° than for orientationsχ=0° andχ=+30°. These deviations are discussed in terms of the influence of normal stress on the slip. The course ofΔτ (difference between the CRSS in the MRSS plane for specimens with 100 ppm and 18 ppm of carbon) onχ is discussed using different models of lattice hardening due to interstitial impurities. These models can also be applied to the explanation of deviations ofτ(χ) curves from the Schmid law.     

Analysis of temperature and concentration dependence of flow stress in KCl–KBr single crystals with special reference to solute distribution

Available data on the temperature and concentration dependence of critical resolved shear stress (CRSS) of KCl–KBr solid-solution crystals containing 9, 17, 27 and 45?mol% KBr in the temperature range 77–230?K have been analyzed within the framework of the kink-pair nucleation model of plastic flow in solid- solution crystals. It is found that CRSS τ decreases with increasing temperature T in accordance with the model relation lnτ?=?A???BT, where A and B are positive constants. The CRSS τ at a given temperature depends on solute concentration c as τ?∝?c^p , where exponent p has a value between 0.33 and 0.57 as temperature T rises from 0 to 230?K. The model parameter W _o, i.e. binding energy between the edge-dislocation segment L _o involved in the unit activation process and the solute atoms close to it (T?→?0?K), which is inversely proportional to B, increases with solute concentration c monotonically as W _o?∝?c ^0.33 up to a critical value c _m?=?35?mol% KBr, which is in reasonable agreement with the model prediction W _o?∝?c ^0.25. However, W _o decreases with an increase in c beyond c _m, which indicates somewhat ordered distribution of solute in the host lattice of concentrated KCl–KBr solid solutions with c?>?c _m.     

Internal-friction study of the interstitial–substitutional effect on the deformation behaviour of Nb–O,Nb–Ta–O and Nb–Mo–O single crystals

To investigate the interstitial-substitutional interaction in dislocations, the effect of 0 on the temperature, frequency and amplitude dependence of the internal friction Q ^?1 in Nb–O, Nb-20 mol% Ta–O and Nb-20 mol% Mo–O single crystals has been studied (f = 1.55–8.2 Hz) in the temperature range from 298 to 1473 K. In our previous study, Nb–Mo and Nb–Ta single crystals were found to be strengthened by solute O. It was also suggested that the interstitial–substitutional interaction in dislocations contributes to the increase in their critical resolved shear stress (CRSS). In this study, Snoek-type relaxation peaks due to O are observed between 500 and 700 K in all the single crystals. The Snoek peak of Nb-20mol% Mo–O consisting of several peaks is analysed. The activation energy of the Snoek peak in Nb-20mol% Mo–O is higher than that of Nb–O. These results are attributable to the existence of the interstitial–substitutional complexes. The amplitude dependence of Q ^?1 at intermediate and high temperatures decreases as the O content increases. Moreover, the breakaway stress of Nb-20 mol% Mo–O still has a high value at 1200K and does not decrease much even at 1473 K. This suggests that the formation of Mo–O complexes reduces the dislocation mobility at high temperatures. From the results, the effect of the interstitial-substitutional interaction on the CRSS was discussed.     

Dislocation arrangement in deformed very dilute Cu-Cd alloy single crystals

The influence of the precipitation annealing on the CRSS and dislocation arrangement of the Cu-0·03 at. % Cd single crystals is observed experimentally. Dislocation distributions are determined by TEM of sections (111) and (101) in stage I and in the transition region. The CRSS increases due to precipitation annealing. There are not observed any second phase particles, but nevertheless there exist some differences in the dislocation arrangement of the solution annealed single crystals and the precipitation annealed ones.