To the Question of Forming Geometrically Necessary Disclinations in Triple Junctions of Grain Boundaries in Metals

The Bollman and King models are tested by means of molecular dynamics simulation for the formation of geometrically necessary disclinations in triple junctions of grain boundaries in metals. It is shown that the stresses arising in a triple junction due to the non-multiple lengths of low-angle tilt boundaries to the distance between grain boundary dislocations is not compensated for mainly by the formation of an additional disclination in the junction (the King model) but by the bending of one or several grain boundaries, accompanied by the displacement of grain boundary dislocations. A triple junction of the Bollman U-type (containing a geometrically necessary disclination) is not formed at the conjugation of tilt boundaries with common misorientation along the junction or at the conjugation of mixed-type boundaries.     

Stimulation and Suppression of Grain Boundary Sliding by Intragranular Slip in Zinc Bicrystals

The influence of intragranular slip on grain boundary sliding is studied in originally compatible zinc bicrystals with symmetric tilt boundary. The experiment is designed to separate different effects of intragranular slip on the boundary sliding and establish their mechanisms. Grain boundary sliding with and without development of intragranular slip is observed. The rate of sliding accompanied by slip is more than five times of that without slip. A good correlation between the boundary sliding and intragranular slip prior to slide hardening is established. Slide hardening followed by the negative sliding near one end of the boundary and strain hardening in the boundary vicinity, are observed at the last stages of deformation. For the case of formation of slip induced glissile grain boundary dislocations of opposite signs the possibility of their contribution to total grain boundary sliding, is analyzed. The effect of the increase in the rate of sliding is explained in terms of the accommodation of sliding by slip and appearance of additional glissile grain boundary dislocations of one sign due to strain incompatibility. Contribution of these different dislocation mechanisms to the increase in the sliding rate is determined for the stage of deformation preceding slide hardening. It is supposed that the effect of slide hardening and negative sliding as well as boundary curving is created by non-smooth boundary and small degree of incompatibility caused by straining.     

Microstructure of Mo – 47% Re – 0.4% Zr alloys after rolling at room temperature. I. Anisotropy of microband structure and peculiarities of internal structure of microbands

The results of an electron microscopy investigation of microstructure of a Mo – 47% Re – 0.4% Zr alloy after rolling deformation (ε ≈ 90%) at room temperature are presented. A special focus is made on investigation of anisotropy of microband nanostructured states and high-energy defect substructures with high values of the crystal lattice curvature, dislocation density and local internal stresses. A disclination mechanism of reorientation as a mechanism of fragmentation of the internal microband structure is proposed.     

Non-singular dislocation continuum theories: strain gradient elasticity vs. Peierls–Nabarro model

Abstract

Non-singular dislocation continuum theories are studied. A comparison between Peierls–Nabarro dislocations and straight dislocations in strain gradient elasticity is given. The non-singular displacement fields, non-singular stresses, plastic distortions and dislocation core shapes are analysed and compared for the two models. The main conclusion of this study is that due to their characteristic properties, the non-singular displacement fields, non-singular stresses and dislocation core shape of screw and edge dislocations obtained in the framework of strain gradient elasticity are more realistic and physical than the corresponding fields of the Peierls–Nabarro model. Strain gradient elasticity of dislocations is a continuum dislocation theory including a weak non-locality within the dislocation core and predicting the size and shape of the dislocation core. The dislocation core is narrower in the strain gradient elasticity dislocation model than in the Peierls–Nabarro model and more evenly distributed in two dimensions. The present analysis shows that for the modelling of the dislocation core structure the non-singular dislocation fields of strain gradient elasticity are the suitable ones.     

Effect of cooperative nanograin boundary sliding and migration on dislocation emission from a blunt nanocrack tip in nanocrystalline materials

Theoretical model is suggested that describes the effects of the cooperative nanograin boundary sliding and stress-driven nanograin boundary migration (CNGBSM) process on the lattice dislocation emission from an elliptically blunt nanocrack tip in deformed nanocrystalline materials. Within the model, CNGBSM deformation near the tip of growing nanocrack carries plastic flow, produces two dipoles of disclination defects and creates high local stresses in nanocrystalline materials. By using the complex variable method, the complex form expression of dislocation force is derived, and critical stress intensity factors for the first lattice dislocation emission are obtained under mode I and mode II loading conditions, respectively. The combined effects of the geometric features and strengths of CNGBSM deformation, nanocrack blunting and length on critical SIFs for dislocation emission depend upon nanograin size and material parameters in a typical situation where nanocrack blunting and growth processes are controlled by dislocation emission from nanocrack tips. It is theoretically shown that the cooperative CNGBSM deformation and nanocrack blunting have great influence on dislocation emission from blunt nanocrack tip.     

位错规范场对于位错芯区的应用

本文用位错连续分布方法分析了位错所产生的应变和应力场,用位错规范场表出了位错芯区的位错分布,并在一定规范条件下求解了位错规范场。得到了螺位错芯区内、外的应力场。在螺位错芯区外,其应力场与Volterra位错的应力场完全一样,而在芯区内,当ρ趋于零时,螺位错的应力场是有解的。最后计算了螺位错的能量。 关键词：     

X‐ray diffractometry and topography of lattice plane curvature in thermally deformed Si wafer

The correlation between the microscopic lattice plane curvature and the dislocation structure in thermal warpage of 200 mm‐diameter Czochralski Si (001) wafers has been investigated using high‐resolution X‐ray diffractometry and topography. It is found that the (004) lattice plane curvature is locally confined between two neighboring slip bands, with the rotation axis parallel to the slip bands. High‐resolution topography reveals that the curvature resulted from a fragmented dislocation structure. The local confinement is attributed to the multiplication of the dislocations that are generated between the two slip bands.     

Dislocation and disclination loops in the virtual-defect method

A method of virtual circular defect loops is developed for determining the elastic fields produced by defects in a bounded medium in the case of an axially symmetric geometry. In this method, continuously distributed virtual circular Volterra and Somigliana dislocation loops are adjusted in such a way as to satisfy the boundary conditions imposed at free surfaces and interfaces. Original calculations of the elastic fields of circular defect loops of different types are carried out. The elastic fields are found for the case of straight dislocations and disclinations in a plate that are perpendicular to the plate plane and for the case of circular disclination loops parallel to the plate plane or to an interface.     

Fields of stress and electric displacement produced by dislocations and disclinations in three-dimensional,anisotropic, elastic and piezoelectric media: elliptical Frank disclination

A statement is made on the theory of continuous distributions of dislocations and disclinations in anisotropic elastopiezoelectric media. The basic field equations governing the fields of stress functions, electric vector potential and incompatibility are presented and solved to give the fields of stress and electric displacement caused by a distribution of dislocations and disclinations. They are expressed in terms of the dislocation- and disclination-density tensors by means of the convolution integrals, extended throughout the medium, and the Fourier integrals. To treat the fields around discrete defects, that is dislocation and/or Frank disclination, the convolution integrals are replaced by the line integrals belonging to the loop of the defect. The fields of stress and electric displacement are given in terms of three quadruple integrals, which are converted into single integrals of explicitly given functions, in the case where the loop of the defect is elliptical. Numerical computations are carried out to estimate the fields in gallium arsenide. The values of those fields at a certain point of the body are presented. The contours and zero lines of the fields of dilatational stress and electric displacement in the plane placed parallel to and at a certain distance from the loop are illustrated.     

Screening of the elastic field of disclinations by a dislocation ensemble

A self-consistent dynamics of a dislocation ensemble in the disclination field is analyzed within the kinetic approach. The effective Airy stress functions for the wedge disclination and the disclination dipole with due regard for the screening effect of the system of distributed dislocation charges are determined. The coordinate dependences of the stress tensor components and dislocation charge density for the screened disclination systems are found. The elastic energies of the screened disclination systems are calculated.     

Microstructures of grain boundaries in (001)-oriented strontium bismuth tantalate thin films grown by pulsed laser deposition

(001)-oriented strontium bismuth tantalate thin films have been grown on Pt/TiO₂/SiO₂/Si (100) substrates by pulsed laser deposition. The room-temperature current–electric field dependence of the films has been investigated, which revealed a space-charge-limited conduction mechanism. The microstructures of grain boundaries and structural defects in these films were also examined by transmission electron microscopy and high-resolution transmission electron microscopy, respectively. The grains of the films deposited at 550 °C exhibited polyhedral morphologies, and the average grain size was about 50 nm in length and 35 nm in width. At a small misorientation angle (8.2°) tilt boundary, a regular array of edge dislocations with about 3-nm periodic distance was observed, and localized strain contrast near the dislocation cores was also observed. The Burgers vector b of the edge dislocation was determined to be [110]. At a high misorientation angle (39.0°) tilt grain boundary lattice strain contrast associated with the distortion of lattice planes was observed, and the mismatching lattice images occurred at about 2 nm along the boundary. The relationship between microstructural defects at grain boundaries and leakage currents of these films is also discussed. Received: 8 September 2000 / Accepted: 18 December 2000 / Published online: 28 February 2001     

Atomistic simulations of interactions between the 1 / 2⟨111⟩ edge dislocation and symmetric tilt grain boundaries in tungsten

The strength of polycrystals is largely controlled by the interaction between lattice dislocations and grain boundaries. The atomistic details of these interactions are difficult to discern even by advanced high-resolution microscopy methods. In this paper we present results of atomistic simulations of interactions between an edge dislocation and three symmetric tilt grain boundaries in body-centred cubic tungsten. Our simulations reveal that the outcome of the dislocation–grain-boundary interaction depends sensitively on the grain boundary structure, the geometry of the slip systems in neighbouring grains, and the precise location of the interaction within the grain boundary. A detailed analysis of the evolution of the grain boundary structures and local stress fields during dislocation absorption and transmission is provided.     

Strain Field in GaAs/GaN Wafer-Bonding Interface and Its Microstructure

The strain fields in a wafer-bonded GaAs/GaN structure are measured by electron backscatter diffraction （EBSD）. Image quality （IQ） of EBSD Kikuchi patterns and rotation angles of crystal lattices as strain sensitive parameters axe employed to chaxacterize the distortion and the rotation of crystal lattices in the GaAs-interface-GaN structure, as well as to display the strain fields. The results indicate that the influence region of the strains in the wafer-bonded GaAs/GaN structure is mainly located in GaAs side because the strength of GaAs is weaker than that of GaN. The cross-sectional image of transmission electron microscopy （TEM） further reveals the distortion and the rotation of crystal lattices induced by strains systematically.     

Elastic stress fields caused by a dislocation in Ge x Si1−x /Si film-substrate system

The elastic stress fields caused by a dislocation in Ge_xSi_(1-x) epitaxial layer on Si substrate are investigated in this work. Based on the previous results in an anisotropic bimaterial system,the image method is further developed to determine the stress field of a dislocation in the film-substrate system under coupled condition. The film-substrate system is firstly transformed into a bimaterial system by distributing image dislocation densities on the position of the free surface. Then,the unknown image dislocation densities are solved by using boundary conditions,i.e.,traction free conditions on the free surface. Numerical simulation focuses on the Ge0.1Si0.9/Si film-substrate system. The effects of layer thickness,position of the dislocation and crystallographic orientation on the stress fields are discussed. Results reveal that both the stresses σxx,σxz at the free surface and the stress σxy,σyy,σyz on the interface are influenced by the layer thickness,but the former is stronger. In contrast to the weak dependence of stress field on the crystallographic orientation the stress field was strongly affected by dislocation position. The stress fields both in the film-substrate system and bimaterial system are plotted.     

Extended planar boundary inclinations in fcc single crystals and polycrystals subjected to plane strain deformation

When fcc single crystals with high-symmetry crystal orientations are deformed to moderate strains by rolling, tension or channel die compression, long dislocation boundaries inclined to the extension axis form. Similarly, long dislocation boundaries are often found in grains embedded in polycrystals deformed in the same manner. These extended planar boundaries (EPBs) are characteristically -30-40° from the extension direction and contain the transverse specimen axis. The objective of the present article is to demonstrate that EPBs formed during plane strain deformation are parallel to equivalent slip planes, a pair of hypothetical slip systems used for analyses of the strain and crystal rotation components in place of the larger number of physical slip systems. The coincidence of EPBs and equivalent slip plane inclinations is shown to account for persistent observations of EPBs in the angle range -30-40° from the rolling direction, in rolled single crystals of various initial orientations. The tendency of EPBs towards tilt or twist boundary character can also be rationalized on the basis of the equivalent slip system concept and consideration of the dislocation types available to be incorporated into EPBs.     

Fields of stress and electric displacement produced by dislocations and disclinations in three-dimensional,anisotropic, elastic,and piezoelectric media. II. Infinite straight dislocation and Frank disclination

The fields of stress and electric displacement caused by infinitely extended straight dislocations and Frank disclinations are deduced from the author's statements for the fields caused by a continuous distribution of dislocations and disclinations (S. Minagawa, Phil. Mag. 84 2229 (2004)). The multiple integrals in the original statements are converted into functions of space coordinates. Cauchy's theorem plays an important part. The improper integral that appears in computations of the fields around a Frank disclination is interpreted as its finite part by Hadamard. Examples are the fields around an infinite straight defect in caesium copper chloride, as well as those in gallium arsenide. The contours and zero lines are plotted to illustrate the fields caused by a dislocation and a disclination dipole.     

基于三轴X射线衍射方法的n-GaN位错密度的测试条件分析

三轴X射线衍射技术广泛应用于半导体材料参数的精确测试,然而应用于纤锌矿n-GaN位错密度的测试却可能隐藏极大的误差.本文采用三轴X射线衍射技术测试了两个氢化物气相外延方法生长的n-GaN样品,发现两样品对应衍射面的半高全宽都基本一致,按照镶嵌结构模型,采用Srikant方法或Williamson-Hall方法,两样品的位错密度也应基本一致.但van der Pauw变温霍尔效应测试表明,其中的非故意掺杂样品是莫特相变材料,而掺Si样品则是非莫特相变材料,位错密度有数量级的差别.实验表明,位错沿晶界生长导致的晶粒尺寸效应,表现为三轴X射线衍射技术检测不到晶界晶格畸变区域的位错,给测试带来极大误差,这对正确使用Srikant方法和Williamson-Hall方法提出了测试要求.分析表明,当扭转角与倾转角之比β_(twist)/β_(tiit)≥2.0时,Srikant方法是准确的,否则需进一步由Williamson-Hall方法确定晶粒大小(面内共格长度L//),当L//≥1.5μm时,Srikant方法是准确的.