晶界弛豫研究50年

文章综述了我国科学工作者５０年来关于晶界弛豫研究的早期开拓和近期发展．前者包括扭摆内耗仪的发明、晶界内耗峰的发现和无序原子群晶界模型的提出．后者包括澄清了关于晶界内耗峰来源的争论,揭示了晶界弛豫具有一个临界温度,从而提出了一个适合于各种温度的综合的晶界模型．一个最重要的进展是关于竹节晶界内耗峰的发现与其机理的阐明,从而揭示了晶界附近的位错亚结构能够影响晶界本身的性质和结构．这对于研究多晶金属的力学性质提供了一个广阔的途径．另外,晶界与邻域位错的非线性交互作用的发现,为奠定非线性滞弹性这门新学科提供了实验基础     

饱和砂岩的滞弹性弛豫衰减特征及微观机理的探索

应用Metravib热机械分析仪,以饱和岩石进行正弦波加载的方式, 分别对三种不同孔隙度的泵油饱和彭山砂岩、泵油和甘油饱和自贡长石砂岩进行了衰减实验研究,得到衰减的热弛豫规律.据此规律求得它们的激活能和原子振动频率, 其激活能和原子的振动频率比间隙原子的激活能和振动的频率低, 此现象用饱和砂岩中产生的缺陷原子簇的整体振动比单个或孤立的原子的振动频率低做出了解释. 在饱和岩石的晶粒间界缺陷处参与扩散的是固体原子、液体及气体原子. 并得出随孔隙度和黏滞系数增大,衰减强度和激活能增大,原子的振动频率增高,弛豫时间减小的结论. 在正弦波应力作用下,由多种矿物晶体胶结而成的饱和砂岩是一种多晶、多相的固体, 由于内部结构复杂、缺陷广布,产生弛豫衰减是普遍现象.砂岩中存在点缺陷、位错、 晶界及孪晶界面等许多缺陷及缺陷间的相互作用都可以产生弛豫型衰减峰. 用饱和砂岩中特有的饱和液体及砂岩内部结构的复杂性解释了饱和砂岩的衰减机理, 很自然地将其宏观衰减特征与微观结构紧密连在一起.饱和砂岩中的各种缺陷、 相界等会导致多重弛豫,使它们的弛豫衰减峰变宽,分布参数增大.这项研究既具有理论意义,也具有实用价值.     

界弛豫研究50年

文章综述了我国科学工作者５０年来关于晶界弛豫研究的早期开拓和近期发展．前者包括扭摆内耗仪的发明、晶界内耗峰的发现和无序原子群晶界模型的提出．后者包括澄清了关于晶界内耗峰来源的争论,揭示了晶界弛豫具有一个临界温度,从而提出了一个适合于各种温度的综合的晶界模型．一个最重要的进展是关于竹节晶界内耗峰的发现与其机理的阐明,从而揭示了晶界附近的位错亚结构能够影响晶界本身的性质和结构．这对于研究多晶金属的力学性质提供了一个广阔的途径．另外,晶界与邻域位错的非线性交互作用的发现,为奠定非线性滞弹性这门新学科提供了实验基础     

颗粒介质弹性的弛豫

颗粒介质是复杂的多体相互作用体系, 其弹性源自内部的力链结构, 弹性能量处在亚稳态, 具有复杂的弛豫行为. 在常规作用下, 颗粒介质往往呈现明显的弹性弛豫. 应力松弛是应变恒定时应力的衰减现象, 弹性弛豫是应力松弛的主要原因. 在前期工作基础上, 从弹性势能面和双颗粒温度热力学角度分析了弹性弛豫的机理, 量化了弹性应力演化不可逆过程; 基于双颗粒温度热力学计算得到了弹性能、颗粒温度和应力的演化, 其中应力松弛的计算结果与实验结果基本一致, 讨论了颗粒温度初值和输运系数的影响. 指出, 开展力链结构及其动力学研究是揭示宏观弹性弛豫机理的关键.     

微合金化元素晶界偏聚与钢的超细化理论研究

通过计算机编程建立钢奥氏体相中Σ5〈001〉/(210)大角晶界模型,用实空间的递推方法计 算碳、氮及微合金元素在完整晶体及晶界区引起的环境敏感镶嵌能,进而讨论碳、氮及微合 金元素在晶界区的偏聚及交互作用.计算结果表明,轻杂质C,N易偏聚于晶界区,且形成气 团;微合金元素在完整的奥氏体中趋于均匀分布,Ti,V,Nb易占位于晶界三角棱柱的顶部( 压缩区),且其加入量足够大时,它们能够在晶界区形成气团;微合金元素能够偏聚于C,N 掺杂的大角晶界区,当温度下降使得C,N及微合金元素的浓度超过其最大固溶度时,在钢的 奥氏体晶界区将有C,N化合物脱溶,这些化合物既可成为奥氏体再结晶的异质晶核,又可以 阻碍奥氏体晶粒长大,故可起到细化晶粒作用.在微合金元素中Nb的细化效果最好.关键词：电子结构晶界偏聚超细化     

准静态颗粒介质的弹性势能弛豫分析

颗粒体系是典型的多体相互作用体系, 具有多重的能量亚稳态. 对于准静态颗粒体系, 引入构型颗粒温度T_c描述弹性势能涨落. 本文认为平衡的体系具有一定的构型颗粒温度T_a, 其量值反映了其结构特征. 当外界扰动激发的构型颗粒温度超出T_a时, 产生不可逆过程. 通过对应力松弛过程的分析, 发现(T_c-T_a)激发了弹性弛豫, 且(T_c-T_a)越大则松弛过程中应力变化越大, 最终构型颗粒温度T_c→T_a时,宏观应力松弛结束,体系达到新的能量亚稳态.     

高温塑性变形引起的P非平衡晶界偏聚

阐述了高温塑性变形引起的非平衡晶界偏聚的准热力学和动力学,并使用该模型预测了低合金结构钢中高温塑性变形导致的P在奥氏体晶界的非平衡偏聚.研究发现：当变形为20%,应变速率为1×10^-3 s^-1时,在800 ℃左右会出现一个P的晶界偏聚浓度峰值;在1000 ℃变形为20％时,晶界偏聚浓度随着应变速率的增加而增加.预测结果与现有的实验结果基本一致.关键词：非平衡偏聚晶界塑性变形磷     

拉伸试验测试金属韧性的不确定性：中温脆性和应变速率脆性

金属高温拉伸试验国际技术标准ISO6892-2-2011认定,拉伸试验的拉伸温度或应变速率的改变会引起拉伸试验测试力学性能结果的不确定性,危及到拉伸试验技术的可靠性. 本文综述了拉伸试验测试断面收缩率或延伸率的不确定性：中温脆性和应变速率脆性的实验现象和特征,简述了多晶金属弹性变形微观理论的基本结果,以此微观理论解释了上述两种测试不确定性的试验现象,阐明了这两种测试不确定性是拉伸试验弹性变形阶段杂质晶界偏聚,脆化了晶界引起的. 为修正金属拉伸试验技术标准,避免断面收缩率测试的不确定性提供了理论基础.关键词：拉伸试验弹性变形晶界偏聚断面收缩率     

杂质对镁合金耐蚀性影响的电子理论研究

利用大角重位点阵模型建立了Mg合金［0001］对称倾斜晶界模型,应用实空间的连分数方法计算了杂质在晶界的偏聚能,杂质原子间相互作用能和不同体系的费米能级,讨论了杂质在晶界的偏聚行为,杂质间的相互作用与有序化的关系及杂质对镁合金腐蚀性能影响的物理本质. 计算结果表明,杂质原子偏聚于晶界,且主要偏聚于晶界的压缩区;杂质原子间相互排斥,因此在晶界区形成有序相;费米能级与材料的腐蚀电位存在这样的关系：材料的费米能级越高,其腐蚀电位就越低,容易被腐蚀,相反费米能级低,其腐蚀电位就高,不容易腐蚀. 体系中成分不同区域的费米能级差导致电子从费米能级高的区域流向费米能级低的区域,正是费米能级差构成了镁合金电化学腐蚀的电动势. 关键词：电子理论晶界偏聚镁合金腐蚀机理     

内耗理论与实践的奠基者——记葛庭燧教授

 1989年7月在北京召开的第九届国际固体内耗与超声衰减学术会议上,葛庭燧荣获了这一国际科学领域的最高奖--“内耗与超声衰减国际奖”,以表彰他半个世纪以来在这个领域内的理论、实验研究及其他方面的创造性贡献.     

Grain boundary interdiffusion in the case of concentration-dependent grain boundary diffusion coefficient

The grain boundary diffusion in a binary system which exhibits a grain boundary phase transition is considered in the framework of Fisher's model. The kinetic law of the growth of the grain boundary phase and the distribution of the diffusant near the grain boundary are calculated. The method of determining of the concentration dependence of the grain boundary diffusion coefficient from the experimentally measured penetration profiles of the diffusant along the grain boundaries is suggested. The experimental results on Zn diffusion in Fe(Si) bicrystals, Ni diffusion in Cu bicrystals and grain boundary grooving in Al in the presence of liquid In are discussed in light of the suggested model.     

Modelling of grain boundary impurity segregation during high temperature plastic deformation

A modified theoretical model is proposed to predict the grain boundary segregation of impurity atoms during high temperature plastic deformation. The model is based on the supersaturated vacancy-impurity complex created by plastic deformation and involves quasi-thermodynamics and kinetics. Model predictions are made for phosphorus grain boundary segregation during plastic deformation in ferrite steel. The results reveal that phosphorus segregates at grain boundaries during plastic deformation. At a given te...     

Segregation of alloying atoms at a tilt symmetric grain boundary in tungsten and their strengthening and embrittling effects

We investigate the segregation behavior of alloying atoms （Sr, Th, In, Cd, Ag, Sc, Au, Zn, Cu, Mn, Cr, and Ti） near Z3 （ 111 ） [1]-0] tilt symmetric grain boundary （GB） in tungsten and their effects on the intergranular embrittlement by performing first-principles calculations. The calculated segregation energies suggest that Ag, Au, Cd, In, Sc, Sr, Th, and Ti prefer to occupy the site in the mirror plane of the GB, while Cu, Cr, Mn, and Zn intend to locate at the first layer nearby the GB core. The calculated strengthening energies predict Sr, Th, In, Cd, Ag, Sc, Au, Ti, and Zn act as embrittlers while Cu, Cr, and Mn act as cohesion enhancers. The correlation of the alloying atom＇s metal radius with strengthening energy is strong enough to predict the strengthening and embrittling behavior of alloying atoms; that is, the alloying atom with larger metal radius than W acts as an embrittler and the one with smaller metal radius acts as a cohesion enhancer.     

Theory of grain boundary motion during high-temperature DIGM

A theory of diffusion induced grain boundary migration (DIGM) is presented for high temperatures where volume diffusion of solute atoms out of the grain boundary is important. It is shown that due to the presence of a gradient term in the expression for the free energy of solid solution, even a relatively small discontinuity in the solute distribution across the gain boundary provides enough driving force for grain boundary migration. From the expression obtained for the grain boundary velocity the coefficient for the Ni diffusion across the grain boundaries in a Cu(Ni) polycrystal has been estimated.     

Solute segregation at grain boundaries

This feature article summarizes the present art and science of grain boundary segregation from the viewpoint of the authors activities in this field. In the part on equilibrium segregation, fundamental effects on grain boundary segregation are discussed such as the nature of the solute/matrix binary system, presence of additional elements, temperature, grain boundary orientation and type of interface. In addition, the predictive capabilities of grain boundary segregation diagrams are outlined. The present models of segregation kinetics are reviewed and discussed in connection with recent experiments. The last part of the paper is focussed on the most important consequences of grain boundary segregation, i.e., grain boundary cohesion and fracture.     

Correlation of grain boundary extra free volume with vacancy and solute segregation at grain boundaries: a case study for Al

Grain boundary extra free volume (GB EFV) can be considered as fundamental microstructural parameter for polycrystalline or nano-crystalline materials. Here, we present a systematic first principles study on a group of representative symmetric tilt grain boundaries of Al with various EFVs subjected to vacancy formation and Mg segregation. All grain boundaries were constructed using the coincident site lattice (CSL) and the structural unit (SU) models. It was found that the SU model is superior to the CSL in describing FCC-Al GBs, the same as we previously revealed for BCC-Fe. The predicted relation between GB misorientation angle and EFV, and the predicted EFV criteria for a stable GB, both agree with available experimental observations. Vacancy formation and Mg segregation show stronger preference to those GBs with high EFV values, due to the resultant high levels of atomic disorder. These findings not only provide a new, atomistic perspective on the significance of EFV, but also suggest a viable means of predicting GB properties based on direct experimental characterisation of GB EFVs.     

Strain induced grain boundary premelting in bulk copper bicrystals

In bulk bicrystals strain induced grain boundary premelting (SIGBPM) occurs when heavy screw dislocation pileup can be held up to a certain high temperature, approximately 0.6T _M, where T _M is the melting point of bulk material in Kelvin. SIGBPM occurs at grain boundaries to which new twist component is added due to the rotation of both component crystals toward opposite direction about the axis perpendicular to the grain boundary plane. At the original grain boundary, grain boundary sliding takes place due to this relative rotation. In f.c.c. metals with relatively low stacking fault energies such as copper, nickel, brass(30Zn) and silver, dislocations dissociate into partials. Therefore high density tangled dislocations introduced during plastic deformation hardly loose. If these dislocations can be held to high temperatures, SIGBPM is promoted. Formation of static or dynamic recrystallized grains suppresses SIGBPM itself and the propagation of grain boundary cracks formed by SIGBPM.     

On grain boundary character distribution in materials with cubic structure

From analysis of numerous experimental data on grain boundary (GB) statistics in polycrystals it has been established that certain groups of materials with cubic structure reveal similar GB character distributions (GBCD) (distribution of GBs by reciprocal density of coincidence sites ). It has been shown that GBCD can be described with an empirical low with different parameters for various groups. Several criteria for classification of materials by these groups (the stacking fault energy value, hierarchy of GB energies and mechanism of replacement of high-energy GBs with low-energy ones) have been considered. It has been found that peculiarities of electronic structure of materials are correlated with the classification proposed.     

Proton-induced grain boundary segregation in stainless steel

Abstract

A technique is developed which addresses the problem of irradiation assisted stress corrosion cracking of stainless steels in light water reactors using high energy protons to induce grain boundary segregation. These results represent the first grain boundary segregation measurements in bulk produced by proton irradiation of stainless steel. The technique allows the study of grain boundary composition with negligible sample activation, short irradiation time, rapid sample turnaround and at minimal cost. Scanning Auger electron microscopy is used to obtain grain boundary composition measurements of irradiated and unirradiated samples of ultra high purity (UHP) type 304L stainless steel and UHP type 304L steels with the additions of phosphorus (UHP + P) and sulphur (UHP + S). Results show that irradiation of all three alloys causes significant Ni segregation to the grain boundary and Cr and Fe away from it. Irradiation of the UHP + P alloy also results in segregation of P at the grain boundary from 5.3 to 8.7 at %, over 80 times the bulk value. No radiation-induced grain boundary segregation of S was measured in the UHP + S alloy. Results also indicate that the presence of P or S may enhance radiation-induced segregation of major alloying elements at the boundary. Comparison of irradiated and unirradiated regions of the UHP + P alloy indicate that while a prior thermal treatment segregates P to the grain boundary to 5.3 at %, the major element concentrations at the grain boundary are completely different from those under irradiation.     

The stability of triple junctions during the grain boundary diffusion process

The grain boundary diffusion in a system with triple junctions is considered in such a geometry, in which the flows of diffusing atoms meet at the triple line. The solutions of the diffusion equation is given in the frameworks of Fisher's model and under the assumption of quasi-stationary distribution of the diffusing atoms along the grain boundaries. The change of the mechanical equilibrium at the triple junction due to the increase of the concentration of solute atoms is considered. It is shown that under some circumstances the triple junction looses its stability with respect to migration in the direction to the diffusion source. The stability diagrams in the segregation-diffusivity parameter space are plotted.