Interaction of Transonic Edge Dislocations with Self-interstitial Loop

The interaction of transonic edge dislocations with a sessile self-interstitial dislocation loop (SIL) in BCC tungsten is investigated using atomistic Molecular Dynamics method. The moving velocity of the transonic edge dislocations is higher than the transverse sound wave velocity. It was found that SIL has a strong pinning effect to the moving edge dislocations. The SIL was eventually annihilated through forming jogs on the moving edge dislocations. A transonic edge dislocation can be stopped by SIL at the pinning point, and then the resulting jogs could move above the sound barrier afterwards under high shear.     

The character of micropipes in silicon carbide crystals

There has been some question as whether micropipes in SiC crystals, giant dislocations that possess hollow cores and lie roughly along the hexagonal c-direction, are screw dislocations with Burgers vectors of nc, where n is an integer, or are dislocations of mixed character, with Burgers vector nc?+?ma, where m is equal to n or possibly different from n. X-ray topographs of the basal faces of PVT-grown 4H-SiC wafers containing micropipes taken in both back-reflection and grazing-incidence geometries are compared with computer simulations of micropipe images. The deviation from circular symmetry of micropipe images in such topographs may be explained as well by the micropipe's tilt from the c-direction as by an nc?+?ma nature. The contrast of micropipes in electron micrographs comprises of a pair of light and dark lobes consisting of a detailed system of subsidiary fringes. These are comparable with micropipe image computer simulations for Burgers vector nc. When an na edge component is introduced to the simulation, a small feature, a few hundred nm wide, appears, which is absent from the micrographs.     

硅蹼中位错和层错的X射线貌相研究

利用X射线投影貌相术观察和分析了硅蹼中的位错和层错。在生长态硅蹼中,除观察到柏氏矢量为1/2<110>的刃型、螺型与60°全位错以及柏氏矢量为1/6<112>的Shockley刃型半位错外,还观察到平行于硅蹼表面的大面积层错和蹼中的60°,30°Shockley半位错。位错在热处理过程中运动并发生位错反应形成近六角形的位错网络。热处理改变生长态硅蹼中层错的组态和衬度,并由于杂质聚集破坏了Shockley半位错的消象法则。还观察到层错象中的位错。对所观察的结果都分别作了分析和简要的讨论。 关键词：     

Analysis of contrasts and identifications of Burgers vectors for basal-plane dislocations and threading edge dislocations in 4H-SiC crystals observed by monochromatic synchrotron X-ray topography in grazing-incidence Bragg-case geometry

Contrasts of dislocations in the sub-surface region of the Si-face of a 4H-SiC wafer were observed by monochromatic synchrotron X-ray topography in grazing-incidence Bragg-case geometry. Basal-plane dislocations show very characteristic contrast depending on their Burgers vectors, running directions, and types of dislocations, whether they are screw dislocations, C-core edge dislocations, or Si-core edge dislocations. The rules for contrasts of basal-plane dislocations are summarized. It is shown that by observing those contrasts at fixed diffraction conditions, Burgers vectors of the basal-plane dislocation can be identified without performing a g?·?b analysis in some cases. Threading edge dislocations also have very characteristic contrasts depending on the angles between the projected g and their Burgers vectors. It is shown that Burgers vectors of threading edge dislocations can be determined uniquely by observing their characteristic contrasts without performing g?·?b analysis. Contrast mechanisms for these dislocations in grazing-incidence X-ray topography are discussed.     

Point Defect Production Under High Internal Stress Without Dislocations in Ni and Cu

Kiritani et al. have observed a large number of small vacancy clusters without dislocations at the tip of torn portions of fcc metals such as Au, Ag, Cu and Ni. Small vacancy clusters, rather than dislocation cell structures, have also been observed after high-speed compressive deformation, suggesting the possibility of plastic deformation without dislocations. In this paper, in order to investigate the mechanism of deformation without dislocations, change in formation energy of point defects under high internal stress was estimated by computer simulation. Elastic deformation up to - 20% strain was found to provide a remarkable lowering of formation energy of point defects. For example, when Ni is subjected to elastic strain, the formation energy of an interstitial atom decreases to 40% that without strain and the formation energy of a vacancy decreases to 51% that without strain. The number of point defects formed under thermal equilibrium during deformation was evaluated. The number was judged to be insufficient for explaining the formation of vacancy clusters as observed in experiments.     

The influence of quantum-mechanical athermal phenomena on the thermal instability of plastic deformation in crystals at low temperatures

The way in which athermal (quantum) mechanisms that allow dislocations to overcome local barriers affect the thermal instability of plastic deformation of crystals is discussed theoretically for the case of low and ultralow (<1 K) temperatures. Calculations show that increasing the athermal component of the dislocation activation leads to a considerable narrowing of the temperature/strain-rate region where discontinuous strains appear, and that further increases in the quantum component of the process by which dislocations surmount local barriers leads to the complete disappearance of these discontinuous strains. Experimental situations in which the effects of thermal instability and athermal effects are observed at the same time in a number of crystals under conditions of low-temperature strain are discussed in light of these results. Fiz. Tverd. Tela (St. Petersburg) 39, 1392–1398 (August 1996)     

Correlation between shapes of Shockley stacking faults and structures of basal plane dislocations in 4H-SiC epilayers

Abstract

Shockley-type stacking faults expanded in 4H–SiC epilayers induced by ultraviolet illumination were investigated using a photoluminescence imaging method, a photoluminescence mapping method and X-ray topography. After ultraviolet illumination, more than 30 patterns of Shockley-type stacking faults which expanded from perfect basal plane dislocations were observed by photoluminescence imaging. The initial basal plane dislocations were crystallographically classified, and individual shapes of expanded Shockley-type stacking faults were predicted. The correspondence between the predicted shapes and observed ones was discussed.     

Periodic image effects in dislocation modelling

The use of periodic boundary conditions for modelling crystal dislocations is predicated on one's ability to handle the inevitable image effects. This communication deals with an often overlooked mathematical subtlety involved in dealing with the periodic dislocation arrays, that is conditional convergence of the lattice sums of image fields. By analysing the origin of conditional convergence and the numerical artefacts associated with it, we establish a mathematically consistent and numerically efficient procedure for regularization of the lattice sums and the corresponding image fields. The regularized solutions are free from the artefacts caused by conditional convergence and regain periodicity and translational invariance of the periodic supercells. Unlike the other existing methods, our approach is applicable to general anisotropic elasticity and arbitrary dislocation arrangements. The capabilities of this general methodology are demonstrated by application to a variety of situations encountered in atomistic and continuum modelling of crystal dislocations. The applications include introduction of dislocations in the periodic supercell for subsequent atomistic simulations, atomistic calculations of the core energies and the Peierls stress and continuum dislocation dynamics simulations in three dimensions.     

Multiscale modelling of dislocation/grain boundary interactions. II. Screw dislocations impinging on tilt boundaries in Al

The interaction of dislocations with grain boundaries (GBs) determines a number of important aspects of the mechanical performance of materials, including strengthening and fatigue resistance. Here, the coupled atomistic/discrete-dislocation (CADD) multiscale method, which couples a discrete dislocation continuum region to a fully atomistic region, is used to study screw-dislocations interacting with Σ3, Σ11, and Σ9 symmetric tilt boundaries in Al. The low-energy Σ3 and Σ11 boundaries absorb lattice dislocations and generate extrinsic grain boundary dislocations (GBDs). As multiple screw dislocations impinge on the GB, the GBDs form a pile-up along the GB and provide a back stress that requires increasing applied load to push the lattice dislocations into the GB. Dislocation transmission is never observed, even with large GBD pile-ups near the dislocation/GB intersection. Results are compared with experiments and previous, related simulations. The Σ9 grain boundary, composed from a more complex set of structural units, absorbs screw dislocations that remain localized, with no GBD formation. With increasing applied stress, new screw dislocations are then nucleated into the opposite grain from structural units in the GB that are nearby but not at the location where the original dislocation intersected the boundary. The detailed behaviour depends on the precise location of the incident dislocations and the extent of the pile-up. Transmission can occur on both Schmid and non-Schmid planes and can depend on the shear stresses on the GB plane. A continuum yield locus for transmission is formulated. In general, the overall dissociation and/or transmission behaviour is also determined by the Burgers vectors and associated steps of the primitive vectors of the grain boundary, and the criteria for dislocation transmission formulated by Lee et al . [Scripta Metall. 23 799 (1989); Phil. Mag. A 62 131 (1990); Metall. Trans. A 21 2437 (1990)] are extended to account for these factors.     

Magnetoplastic effect in InSb

We have observed dislocation motion in InSb semiconductor crystals under the action of a static magnetic field in the absence of a mechanical load. The dependence of the average dislocation travel distance and of the relative number of diverging and converging half-loops on the magnetic induction and the “magnetic treatment” time is obtained. The activation energy of the motion of diverging dislocations in a magnetic field in the temperature range 120–250°C is estimated. Possible reasons for the observed phenomenon are discussed. Pis’ma Zh. éksp. Teor. Fiz. 70, No. 4, 298–302 (25 August 1999)     

Monazite (monoclinic LaPO4) slip systems at room temperature

Polycrystalline monazite (monoclinic LaPO₄) was deformed by spherical indentation at room temperature. Slip systems were identified using TEM of thin sections prepared parallel and close to the indented surface. Dislocation Burgers vectors (b) were identified by Burgers circuit closure in high resolution TEM images, supplemented by diffraction contrast where possible. A total of 441 b determinations were made in 97 grains. The most common slip systems were [001]/(010), [100]/(010) and [010]/(100). Slip on (001) was less common. Many other less common slip systems and Burgers vectors were also identified, including b = [101], [101], [011], [110] and [111]. b = [101] dislocations dissociate into ½[101] partials, and b = [101] dislocations are inferred to dissociate to ½[101] partials, with a low energy stacking fault of ～30 mJ/m². b = [100] dislocations may dissociate into ¼[210] + ¼[210] partials. b = [010] may sometimes dissociate to ½[010] + ½[010] partials. Other types of partial dislocations were also observed and discussed. All partial dislocations were climb dissociated. The line energies of monazite dislocations and their partials were calculated, and stacking fault structures for partial dislocations are analyzed. Satisfaction of the Von Mises criterion for full ductility most likely involves [101]/(111) and ?011?/{011} or {111} slip, but other combinations that require both b = [101] and ?011? or ?110? are possible. If deformation twinning is active, slip systems with b = ?011? or ?110? may not be necessary for full ductility.     

Microstructural properties of GaN grown on a Si(110) substrate by gas-source molecular beam epitaxy: Dependence on the ammonia flux

The microstructural properties of a GaN thin film grown on a Si(110) substrate under various ammonia (NH₃)-flux conditions were observed to study growth mode and defect evolution. The surface flatness of GaN thin films was improved with the increase of the NH₃ flux while the thickness was decreased by increasing the NH₃ flux. In addition, the crystalline quality of the GaN film grown under the lower NH₃ flux (100 sccm) was better than that of the film under the higher NH₃ flux (400 sccm). The different dislocation behaviors depending on NH₃ fluxes were observed; the low density of dislocations was measured and most of dislocations penetrating the thin film was mixed- and edge-type dislocations when GaN was grown under the low NH₃ flux condition while the high density of dislocation and many mixed- and screw-type dislocations penetrating the film were observed in the GaN film grown under the high NH₃ flux. These phenomena are demonstrated by using a kinetic model related to the role of NH₃.     

Determination of the sign of screw dislocations viewed end-on by weak-beam diffraction contrast

This paper describes how the sign of a screw dislocation or of the screw component of a mixed dislocation in a thin elastically isotropic foil, viewed end-on, can be determined from the dark-field weak-beam diffraction contrast arising from surface relaxation displacements. The contrast consists of black-white lobes, with the line of no-contrast parallel to g , similar to that found previously by Tunstall et al . [Phil. Mag. 9 99 (1964)] for bright-field imaging of screw dislocations in thick foils. Unlike weak-beam images of inclined dislocations, the image profiles are very broad (～10?nm for the strongest) owing to the long-range nature of surface relaxation strain-field. For dislocations spaced at ～10?nm or less, the overlap of the strain-field from nearby dislocations has to be taken into account. The paper also discusses the nature of the contrast from mixed dislocations slightly tilted from the incident beam direction, when contrast from the edge component is expected, and the possibility of determining the sign of the screw component in this case.     

Grain-boundary faceting at a = 3, [110]/{112} grain boundary in a cubic zirconia bicrystal

The atomic structure of a = 3, [110]/{112} grain boundary in a yttria-stabilized cubic zirconia bicrystal has been investigated by high-resolution transmission electron microscopy (HRTEM). It was found that the grain boundary migrated to form periodic facets, although the bicrystal was initially joined so as to have the symmetric boundary plane of {112}. The faceted boundary planes were indexed as {111}/{115}. The structure of the {111}/{115} grain boundary was composed of an alternate array of two types of structure unit: {112}- and {111}-type structure units. HRTEM observations combined with lattice statics calculations verified that both crystals were relatively shifted by (α/4)[110] along the rotation axis to form a stable grain-boundary structure. A weak-beam dark-field image revealed that there was a periodic array of dislocations along the grain boundary. The grain-boundary dislocations were considered to be introduced by the slight misorientation from the perfect = 3 orientation. The fact that the periodicity of the facets corresponded to that of the grain-boundary dislocations must indicate that the introduction of the grain-boundary dislocations is closely related to the periodicity of the facets. An atomic flipping model has been proposed for the facet growth from the initial = 3, {112} grain boundary.     

On the nature and mechanism of surface polygonization of NaCl and KCl single crystals produced by electron bombardment and illumination

Abstract

The polygonization phenomenon observed on alkali halide surfaces, irradiated with electrons and subsequently illuminated, was studied by optical and electron microscopy. For the explanation of the nature and mechanism of this process, we have investigated the influence of light (containing the F?centre absorption band) on the development and annihilation in time of some polygonization lines, as well as the correlation of the polygonization patterns with dislocation etch pits and subgrain boundaries revealed by a selective chemical etching.

Preceded by an optical bleaching effect which locally induces surface potential changes, the polygonization process is explained taking into account the mobility of unpinned charged dislocations and the surface atom migration. The disappearance of some polygonization lines may be produced by a vacancy-interstitial annihilation process.

No identification was found between the polygonization patterns and the subgrain boundaries.     

Optical properties and origin of infrared light scattering centers in undoped semi-insulating GaAs crystals

The wavelength dependence and polarization characteristics of the infrared light scattered from an undoped GaAs crystal were investigated in the 90° angle infrared light scattering configuration. The scattering is Rayleigh scattering from scatterers which are always associated with the dislocations, and they are classified into three types,S, L _A , andL _G scatterers, according to their polarization characteristics. TheS, L _A , andL _G -scatterers are thought to be small As clusters, large As precipitates and large Ga precipitates, respectively.     

Athermic movement of dislocations in KC1 single crystals under high pressure

Abstract

The influence of hydrostatic pressure up to 700 MPa on activationless movement of edge dislocations in KC1 single crystals under low applied stresses was studied. It was shown that the path length l of dislocations increase with pressure according to the pressure dependence of the shear modulus G.     

Dislocation motion in icosahedral quasicrystals at elevated temperatures: Numerical simulation

We have simulated shear deformation of an icosahedral model quasicrystal at elevated temperatures with molecular dynamics. The generation of a dislocation loop was studied with a new visualization technique and a critical stress almost as large as the theoretical shear strength was measured. Built-in dislocations started to move at a temperature-dependent critical stress lower by one order of magnitude. While at zero temperature the dislocation propagated intermittently by large jumps, its motion became viscous as temperature increased. The dislocation cores bulged considerably owing to pinning at obstacles inherent in the structure. A calculation of the energy of a Peierls-Nabarro dislocation moving rigidly through the sample allowed us to determine the dominant obstacles. The results are considered in relation to two different models of quasicrystalline plasticity.     

Ordinary dislocation configurations in high Nb-containing TiAl alloy deformed at high temperatures

Abstract

High Nb-containing TiAl (Nb–TiAl) alloys possess mechanical properties at elevated temperatures superior to conventional TiAl alloys. However, the strengthening mechanisms induced by Nb addition have been discussed controversial for a long time. In the present study, the dislocation structures in a polycrystalline high Nb–TiAl alloy after tensile tests at 700 and 900 °C were investigated by transmission electron microscope (TEM) observation. The results show that abundant double cross slip of ordinary dislocations is activated in the samples deformed at 700 °C. The dislocations are pinned at the jogs and numerous dipoles are observed. Debris can be commonly observed in the vicinity of screw dislocations. Trace analysis shows that the cross-slip plane is (1?1?0)γ at 700 °C but (1?1?1)γ octahedral plane at 900 °C. Three-dimensional (3D) dislocation structures, caused by cross-slip and annihilation of ordinary dislocations, were observed along the screw orientation. The dipoles and debris produced by high-temperature cross slip can be important for the strengthening of high Nb–TiAl alloys.