Dislocation glide through non-randomly distributed point obstacles

Abstract

Classical meso-scale models for dislocation–obstacle interactions have, by and large, assumed a random distribution of obstacles on the glide plane. While a good approximation in many situations, this does not represent materials where obstacles are clustered on the glide plane. In this work, we have investigated the statistical problem of a dislocation sampling a set of clustered point obstacles in the glide plane using a modified areal-glide model. The results of these simulations show two clear regimes. For weak obstacles, the spatial distribution does not matter and the critically resolved shear stress is found to be independent of the degree of clustering. In contrast, above a critical obstacle strength determined by the degree of clustering, the critical resolved shear strength becomes constant. It is shown that this behaviour can be explained semi-analytically by considering the probability of interaction between the dislocation line and obstacles at a given level of stress. The consequences for alloys exhibiting solute clustering are discussed.     

Simulation of the interaction between an edge dislocation and ⟨111⟩ interstitial dislocation loops in α-iron

ABSTRACT

The dependence of the interactions of intermediate-size ½<111> self-interstitial atom (SIA) loops with an edge dislocation on strain rate and temperature was investigated by molecular dynamics (MD) simulations for the interatomic potential derived by Ackland et al. (A97). For low temperatures (T?=?1?K), the mechanisms of the interactions were in agreement with recent literature. It was shown that a second passing of the dislocation through the loop led to a different mechanism than the one that occurred upon first passing. Since these mechanisms are associated with different SIA loop sizes, and since the loop lost a number of SIAs upon first interaction, it was deduced that the dividing threshold between large and small loops (rendering them strong or weak obstacles, respectively) is at the vicinity of the loop size studied (169 SIAs). For higher temperatures (T?=?300?K), the strain rate dependence proved strong: for low strain rates, the dislocation absorbed the loop as a double super-jog almost immediately and continued its glide unimpeded. For a high strain rate, the dislocation was initially pinned due to the formation of an almost sessile segment leading to high critical stress.     

Strain aging in rock salt single crystals

Aging of plastically deformed rock salt single crystals resulted in an increased room temperature yield stress. This effect, which was found to be transient, was investigated as a function of aging time and temperature, prestrain and critical shear stress. The results suggest an interpretation in terms of Cottrell's theory of strain aging, the dislocation obstacles being represented by impurities, vacancies and their agglomerations. An estimation of the possible jump frequencies of the effective lattice defects from aging experiments yielded migration energies between 0.7 and 1.1eV.     

Molecular dynamics simulations of the interaction between 60° dislocation and self-interstitial cluster in silicon

Molecular dynamics simulations are performed to investigate the interaction between 60° shuffle dislocation and tetrainterstitial (I₄) cluster in silicon, using Stillinger-Weber (SW) potential to calculate the interatomic forces. Based on Parrinello-Rahman method, shear stress is exerted on the model to move the dislocation. Simulation results show that the I₄ cluster can bend the dislocation line and delay the dislocation movement. During the course of intersection the dislocation line sections relatively far away from the I₄ cluster accelerate first, and then decelerate. The critical shear stress unpinning the 60° dislocation from the I₄ cluster decreases as the temperature increases in the models.     

Screw dislocation in semi-infinite non-local hexagonal medium

Abstract

Nonlocal stresses of a screw dislocation near a free surface in a semi-infinite hexagonal medium are investigated by a surface dislocation model. The nonlocal image force on the screw dislocation due to the existing free surface is also obtained. All classical singularities for the stress and image force are eliminated. The maxima of the stress and image force are evaluated. A zero point of the stress is found, which predicts that different states of the shear stress exist simultaneously near the dislocation. The appearance of a zero value at the free surface and a maximum of the dislocation image force can be used to explain the existence of the dislocation free zone.     

Relation between the internal stress measured in creep and the stress generated by the dislocation structure in the fcc metals

From the steady-state creep rate data treated as a function of the applied and the measured effective stress and temperature, a phenomenological dependence of the internal stress on the applied stress and temperature was derived. The result determined the expected character of the applied stress- and temperature dependences of the dislocation density, which was considered the microstructure parameter of the internal stress σ _i?=?α MGbρ ^1/2 (σ_i is the internal stress, α the dislocation interaction factor, M the Taylor factor, G the shear modulus, b the Burgers vector length and ρ the dislocation density). A scaling of the expected dislocation density by fitting it to measured dislocation density data yielded reasonable values of the parameter α in the Taylor formula, but the experimental data indicated a weaker applied stress dependence of the measured dislocation density than that of the expected dependence. An admission of an empirical formula fitting the dependence of dislocation density on the applied stress and temperature leads to a suggestion that the parameter α might be dependent on applied stress and temperature.     

Nucleation of cracks near the free surface in deformed metallic nanomaterials with a bimodal structure

A theoretical model that effectively describes the nucleation of cracks in stress fields of dislocation pile-ups near the free surface in metallic nanomaterials with a bimodal structure has been developed. The dependences of the critical shear stress τ_c (for the formation of a crack with an equilibrium length of 10 nm on a dislocation pile-up near the surface) on the size d of a grain containing the dislocation pile-up have been calculated for copper with a bimodal structure. Theoretically, it has been found that the critical shear stress τ_c for the nucleation of a crack near the free surface in a nanomaterial with a bimodal structure is approximately 30% higher than that for the crack nucleation within the nanomaterial at a distance from the free surface.     

Effect of coherency strain on the deformation of In x Ga1− x As superlattices under nanoindentation and bending

It has been shown elsewhere that the room temperature yield pressure of In _x Ga_{1? x} As superlattices measured by nanoindentation, decreases from a high value as the volume averaged strain modulation is increased, while at 500°C under uniaxial compression or tension the yield stress increases from a low value with increasing strain modulation. We have used cross-sectional transmission electron microscopy to examine the deformation mechanisms in these two loading regimes. At room temperature both twinning and dislocation flow was found with the proportion of twinning decreasing with increasing strain modulation. The coherency strain of the superlattice is retained in a twin but partially relaxed by dislocation flow. The strain energy released by the loss of coherency assists dislocation flow and weakens the superlattice. Twins are only nucleated when a critical elastic shear of about 7° is achieved at the surface. The plastic zone dimensions under the indent are finite at the yield point, with a width and depth of approximately 1.3?µm and 1.1?µm respectively. Under uniaxial compression and tension at 500°C the superlattices deform by dislocation flow along {111} planes. The most highly strained samples also partially relax through the formation of misfit dislocations.     

热应力作用降低LPE层中的位错

提出由温差造成热剪切应力,引起衬底穿线位错滑移,形成<110>界面位错,从而降低LPE层中位错的模型。稳定自然对流下的温度梯度液相外延,存在衬底厚度方向的温差,能在边缘固定的衬底中造成热剪切应力。生长了厚GaAs和Ga_1-xAl_xAs层(x<0.3),估算的热剪切应力大于产生<110>暗线缺陷的临界剪切应力。表面腐蚀坑观察表明,外延层位错密度下降,或无位错。界面蚀槽和阴极荧光观察表明,衬底穿线位错在界面弯曲成<110>界面位错。透射电子显微镜观察表明,界面位错多 关键词：     

Evolution of dislocation density in a hot rolled Zr–2.5Nb alloy with plastic deformation studied by neutron diffraction and transmission electron microscopy

Abstract

The evolution of dislocation density and microstructure of a hot rolled Zr–2.5Nb alloy under compressive plastic strain, at room temperature, was analysed using neutron diffraction and transmission electron microscopy (TEM). The dislocation densities of type 〈a〉, 〈c + a〉 and 〈c〉 dislocations at different plastic strains in the elastic–plastic transition regime and plastic regime have been measured by diffraction line profile analysis (DLPA). TEM microstructure characterization revealed the operation of different slip systems. It has been found that slip of type 〈a〉 dislocations contributed to most of the plastic strain at the early stage of deformation, and strong pyramidal 〈c + a〉 slip did not occur until the deformation was fully plastic. Unambiguous evidence of basal slip occurring at room temperature in Zr is provided. Loading along a plate direction with more basal poles favoured the operation of basal and pyramidal slip. Dislocation features including relative edge:screw character of 〈c + a〉 dislocations are shown to be different under tension and compression loading, providing a mechanistic driver for the previously observed asymmetry in critical resolved shear stress for 〈c + a〉 slip.     

Interaction of dislocation pile-up with a low-angle tilt boundary: a discrete dislocation dynamics study

Abstract

The pile-up of dislocations between two low-angle tilt boundaries (LATB) in an fcc crystal was simulated using three-dimensional discrete dislocation dynamics. The LATB was constructed using glissile edge dislocations stacked on each other. The dislocations in the pile-up were chosen such that their reactions with the dislocations in the LATB resulted in glissile junctions. Parallel pairs of dislocations were inserted to a maximum allowable value estimated from theoretical expressions. A resolved shear stress was applied and increased in steps so as to move the dislocations in the pile-up towards the boundaries. The shear stress required to break the lead dislocation from the wall was determined for varying spacings between the two boundaries. The shear stress and boundary spacing followed the Hall–Petch type relation. Dislocation pile-ups without a LATB were also simulated. The spacing of the dislocations in the pile-up with LATB was found to be closer (ie higher dislocation density) than that without LATB. It was shown through analytical expressions that LATB exerts an attractive force on the dislocations in the pile-up thereby creating a denser pile-up.     

Tunneling of screw dislocations in α-Fe

A model of tunneling of 1/2 [111] screw dislocations in b.c.c. metals from sessile to glissile core configurations described by dislocation splittings is proposed and numerical estimates for α-Fe are derived. The critical shear stress of the order of 50 kp/mm² should be temperature independent up to 8 K.     

Transition of deformation mechanisms in nanotwinned single crystalline SiC

ABSTRACT

The ability to experimentally synthesise ceramic materials to incorporate nanotwinned microstructures can drastically affect the underlying deformation mechanisms and mechanics through the complex interaction between stress state, crystallographic orientation, and twin orientation. In this study, molecular dynamics simulations are used to examine the transition in deformation mechanisms and mechanical responses of nanotwinned zinc-blende SiC ceramics subjected to different stress states (uniaxial compressive, uniaxial tensile, and shear deformation) by employing various twin spacings and loading/crystallographic orientations in nanotwinned structures, as compared to their single crystal counterparts. The simulation results show that different combinations of stress states and crystal/twin orientation, and twin spacing trigger different deformation mechanisms: (i) shear localised deformation and shear-induced fracture, preceded by point defect formation and dislocation slip, in the vicinity of the twin lamellae, shear band formation, and dislocation (emission) avalanche; (ii) cleavage and fracture without dislocation plasticity, weakening the nanotwinned ceramics compared to their twin-free counterpart; (iii) severe localised deformation, generating a unique zigzag microstructure between twins without any structural phase transformations or amorphisation, and (iv) atomic disordering localised in the vicinity of coherent twin boundaries, triggering dislocation nucleation and low shearability compared to twin-free systems.     

Effect of temperature on the dislocation structure of the ordered alloy Ni3(Fe,Cr)

Transmission electron microscopy is used to study the dislocation structure of ordered polycrystalline Ni₃(Fe, Cr) alloy after deformation at temperatures of 293, 473, 673, and 773°K. The flow stress σ is plotted as a function of the density of dislocations ρ. It is observed that there is a direct proportionality between σ and ρ^1/2, which indicates that the relation τ= αGbρ^1/2 is satisfied, where τ is the shear stress, G is the shear modulus, b is the Burgers vector, and α is a coefficient weakly dependent on the density of dislocations. The values of α are found for different deformation temperatures from the slope of the lines. It is found that α decreases with increasing deformation temperature. When the temperature is increased from 293 to 773°K the reduction in α is about 20% in agreement with estimates of the resistance to motion by superdislocations caused by nonconservative drag of dislocation jogs.     

Kinetics of shear banding in a bulk metallic glass monitored by acoustic emission measurements

Detailed acoustic emission (AE) and surface microscopy investigations of the kinetics of shear banding in bulk Zr_52.5Ti₅Cu_17.9Ni_14.6Al₁₀ metallic glass at room temperature are presented. The shear band propagates in a jump-like mode as reflected by numerous AE bursts. The time distribution and cluster statistical analysis of AE time series revealed, firstly, that there are two shear banding processes notably different in their spatial scales and, secondly, that formation of shear bands at large strains can be correlated in time and space. Independence of the AE characteristics on the current stress magnitude implies that shear band propagation could not be interpreted as a shear front motion in a viscous Newtonian-like medium. The AE response to shear banding is to a certain extent similar to that of a moving dislocation pile-up escaping to a free surface. It is emphasized that AE and microscopic features of shear banding in the bulk metallic glass are very nearly the same as those found earlier for melt-spun ribbon glasses, indicating that the change in the quenching rate by about four orders of magnitude does not cause the kinetics of shear band nucleation and propagation to vary considerably.     

Quantitative x-ray topographic analysis of the defects of 6H-SiC single crystals and homoepitaxial silicon carbide

Planar dislocation pileups (PDPs) and curvilinear dislocation segments (CDSs) are considered as indicators of the local elastic shear stress fields (LESSFs) that existed in the growing single crystals at the time of stabilization of their dislocation structure. Calculations using the theory of dislocations with the experimental parameters of PDPs and CDSs measured from the x-ray topograms (taken by the Lang and divergent-polychromatic-beam (DPB) methods) give values of the LESSFs in the range (0.2–1.5)×10⁶ Pa for thin single-crystal wafers of SiC (6H) grown by sublimation in a graphite container. A strong nonuniform bending of the single-crystal wafers is observed; for the x-ray topographic study of the dislocation structure in these wafers the DPB method is preferable to the Lang method on account of its low sensitivity to bending. Zh. Tekh. Fiz. 69, 64–67 (July 1999)     

Concentration dependence of the critical resolved shear stress of cadmium-silver alloy single crystals at low temperatures

The increase of the critical resolved shear stress of cadmium single crystals by addition of silver has been investigated in the temperature range of 77 K to 199 K. At all temperatures the critical resolved shear stress increases withc ^2/3, wherec is the atomic concentration of silver as solute, and it decreases with increasing temperature. The concentration dependence of the critical resolved shear stress is explained according to the theory ofLabusch (phys. stat. sol.41 (1970), 659).     

Evolution of dislocation structures having various orientations in strained single crystals of the alloy Ni3Ge

The dislocation structure of strained single crystals of Ni₃Ge with various orientations is investigated by electron microscopy. The evolution of the dislocation structure parameters is studied as a function of the degree of strain, temperature, and orientation of the single crystals. Analysis of the experimental dependences of the yield stress on the density of dislocations leads to certain conclusions about how various mechanisms for dislocation drag make temperature-dependent contributions to the deforming stress, and about the nature of the thermal hardening of Ni₃Ge. Fiz. Tverd. Tela (St. Petersburg) 40, 672–680 (April 1998)     

Molecular dynamics simulation on the elastoplastic properties of copper nanowire under torsion

Influences of different factors on the torsion properties of single crystal copper nanowire are studied by molecular dynamics method. The length, torsional rate, and temperature of the nanowire are discussed at the elastic-plastic critical point. According to the average potential energy curve and shear stress curve, the elastic-plastic critical angle is determined. Also, the dislocation at elastoplastic critical points is analyzed. The simulation results show that the single crystal copper nanowire can be strengthened by lengthening the model, decreasing the torsional rate, and lowering the temperature. Moreover, atoms move violently and dislocation is more likely to occur with a higher temperature. This work mainly describes the mechanical behavior of the model under different states.