Dislocation content of geometrically necessary boundaries aligned with slip planes in rolled aluminium

Previous studies have revealed that dislocation structures in metals with medium-to-high stacking fault energy, depend on the grain orientation and therefore on the slip systems. In the present work, the dislocations in eight slip-plane-aligned geometrically necessary boundaries (GNBs) in three grains of near 45° ND rotated cube orientation in lightly rolled pure aluminium are characterized in great detail using transmission electron microscopy. Dislocations with all six Burgers vectors of the ½?1?1?0? type expected for fcc crystals were observed but dislocations from the four slip systems expected active dominate. The dislocations predicted inactive are primarily attributed to dislocation reactions in the boundary. Two main types of dislocation networks in the boundaries were identified: (1) a hexagonal network of the three dislocations in the slip plane with which the boundary was aligned; two of these come from the active slip systems, the third is attributed to dislocation reactions (2) a network of three dislocations from both of the active slip planes; two of these react to form Lomer locks. The results indicate a systematic boundary formation process for the GNBs. Redundant dislocations are not observed in significant densities.     

Dislocation structures. Part II. Slip system dependence

Part I established, via extensive transmission electron microscopy investigations, that the type of dislocation structure formed in metals of medium-to-high stacking fault energy upon deformation in tension or rolling to moderate strain levels (≤0.8) depends strongly on crystallographic grain orientation. This paper analyzes the grain orientation-dependent structures in terms of the active slip systems, focusing on the crystallographic plane of extended planar boundaries (geometrically necessary boundaries). The analysis establishes slip systems as the factor controlling the dislocation structure. Five fundamental slip classes, consisting of one to three active slip systems, have been identified. Multiple activation of these slip classes is also considered. The slip classes give rise to different types of dislocation structure, of which all except one contains geometrically necessary planar boundaries aligning with unique crystallographic planes (not necessarily slip planes). A slip class leads to the same type of structure, irrespective of the macroscopic deformation mode, as also demonstrated by successful predictions for shear deformation.     

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.     

An extensive 3D dislocation dynamics investigation of stage-I fatigue crack propagation

Stage-I fatigue crack propagation is investigated using 3D discrete dislocation dynamics (DD) simulations. Slip-based propagation mechanisms and the role of the pre-existing slip band on the crack path are emphasized. Stage-I crack growth is found to be compatible with successive decohesion of the persistent slip band/matrix interface rather than a mere effect of plastic irreversibility. Corresponding crack tip slip displacement magnitude and the associated crack growth rate are evaluated quantitatively at various tip distances from the grain boundary. This shows that grain boundaries systematically amplify slip dispersion ahead of the crack tip and consequently, slow down the stage-I crack growth rate. The results help in developing an original crack propagation model, accounting for the boundary effects relevant to polycrystals. The crack growth trend is then evaluated from calculations of the energy changes due to crack length increments. It is shown that the crack necessarily propagates by increments smaller than 10 nm.     

高应变率压缩下纳米孔洞对金属铝塑性变形的影响研究

本文利用分子动力学模拟方法研究了含纳米孔洞金属铝在[110]晶向高应变率单轴压缩下弹塑性变形的微观过程. 对比单孔洞和完整单晶的模型, 讨论了多孔金属的应力应变关系及其位错发展规律. 研究结果表明, 对于多孔模型的位错积累过程, 位错密度随应变的增加可大致分为两个线性阶段. 由同一个孔洞生成的位错在相互靠近过程中, 其滑移速度越来越小; 随着位错继续滑移, 源自不同孔洞的位错之间开始交叉相互作用导致应变硬化. 达到流变峰应力之后又由于位错密度增殖速率升高发生软化. 当应变增加到11.8%时, 所有孔洞几乎完全坍缩, 并观察到在此过程中有棱位错生成.     

The Peierls stress for coupled dislocation partials near a free surface

The effect of a free surface on the Peierls stress of a perfect dislocation, as well as on one of two dislocation partials under a free surface, has been accounted for by considering the Lubarda–Markenscoff variable-core dislocation model (VCM). The VCM dislocation smears the Burgers vector, while producing on the slip plane the Peierls–Nabarro sinusoidal relation between the stress and the slip discontinuity with a variable width. Here the core radius is allowed to depend on the distance to the free surface and the other partial. The Peierls stress is computed as a configurational force by accounting for all the energies and the image stresses to satisfy the traction-free boundary conditions. The results are applied to aluminum and copper and comparisons are made with atomistic calculations in the literature that show that the partials merge as they approach the free surface.     

Multiscale dislocation dynamics simulations of shock-induced plasticity in small volumes

Multiscale dislocation dynamics plasticity (MDDP) was used to investigate shock-induced deformation in monocrystalline copper. In order to enhance the numerical simulations, a periodic boundary condition was implemented in the continuum finite element (FE) scale so that the uniaxial compression of shocks could be attained. Additionally, lattice rotation was accounted for by modifying the dislocation dynamics (DD) code to update the dislocations’ slip systems. The dislocation microstructures were examined in detail and a mechanism of microband formation is proposed for single- and multiple-slip deformation. The simulation results show that lattice rotation enhances microband formation in single slip by locally reorienting the slip plane. It is also illustrated that both confined and periodic boundary conditions can be used to achieve uniaxial compression; however, a periodic boundary condition yields a disturbed wave profile due to edge effects. Moreover, the boundary conditions and the loading rise time show no significant effects on shock–dislocations interaction and the resulting microstructures. MDDP results of high strain rate calculations are also compared with the predictions of the Armstrong–Zerilli model of dislocation generation and movement. This work confirms that the effect of resident dislocations on the strain rate can be neglected when a homogeneous nucleation mechanism is included.     

In situ and tomographic analysis of dislocation/grain boundary interactions in α-titanium

In situ straining in the transmission electron microscope and diffraction-contrast electron tomography have been applied to the investigation of dislocation/grain boundary and dislocation/twin boundary interactions in α-Ti. It was found that, similar to FCC materials, the transfer of dislocations across grain boundaries is governed primarily by the minimization of the magnitude of the Burgers vector of the residual grain boundary dislocation. That is, grain boundary strain energy density minimization determines the selection of the emitted slip system.     

Continuum model for dislocation dynamics in a slip plane

In this paper, we present a continuum model for dislocation dynamics in a slip plane, which accurately incorporates both the long-range interaction and the local line tension effect of dislocations. Unlike the continuum models in the literature using dislocation densities, we use the disregistry across the slip plane to represent the continuous distribution of dislocations in the slip plane, which has the advantage of including the orientation dependence of dislocations in a very simple way. The continuum dislocation dynamics model is validated by linear instability analysis of a uniform dislocation array to small perturbations and comparisons of the results with those of the discrete dislocation dynamics model. Numerical examples for the evolution of distributions of dislocations and plastic slips in a slip plane are presented.     

On the core structure and mobility of the 〈100〉{010} and 〈100〉{01^-1} dislocations in B2 structure YAg and YCu

Dislocations are thought to be the principal mechanism of high ductility of the novel B2 structure intermetallic compounds YAg and YCu.In this paper,the edge dislocation core structures of two primary slip systems 〈100 〉{010} and 〈100 〉 {011} for YAg and YCu are presented theoretically within the lattice theory of dislocation.The governing dislocation equation is a nonlinear integro-differential equation and the variational method is applied to solve the equation.Peierls stresses for 〈100 〉 {010} and 〈100 〉 {011} slip systems are calculated taking into consideration the contribution of the elastic strain energy.The core width and Peierls stress of a typical transition-metal aluminide NiAl is also reported for the purpose of verification and comparison.The Peierls stress of NiAl obtained here is in agreement with numerical results,which verifies the correctness of the results obtained for YAg and YCu.Peierls stresses of the 〈100 〉 {011} slip system are smaller than those of〈100 〉 {010} for the same intermetallic compounds originating from the smaller unstable stacking fault energy.The obvious high unstable stacking fault energy of NiAl results in a larger Peierls stress than those of YAg and YCu although they have the same B2 structure.The results show that the core structure and Peierls stress depend monotonically on the unstable stacking fault energy.     

Dislocation nucleation from symmetric tilt grain boundaries in body-centered cubic vanadium

We perform molecular dynamics (MD) simulations with two interatomic potentials to study dislocation nucleation from six symmetric tilt grain boundaries (GB) using bicrystal models in body-centered cubic vanadium. The influences of the misorientation angle are explored in the context of activated slip systems, critical resolved shear stress (CRSS), and GB energy. It is found that for four GBs, the activated slip systems are not those with the highest Schmid factor, i.e., the Schmid law breaks down. For all misorientation angles, the bicrystal is associated with a lower CRSS than their single crystalline counterparts. Moreover, the GB energy decreases in compressive loading at the yield point with respect to the undeformed configuration, in contrast to tensile loading.     

Subgrains Analysis in α-Uranium Using Combined TEM and Single Crystal Plasticity Theory

Subgrains formed in α-uranium during the β → α phase transformation are believed to be dislocation cells. According to this assumption, the large transformation strains give rise to plastic deformation. The dislocations taking part in the plastic deformation are arranged into dislocation boundaries. In order to check this preposition the yield surface of α-uranium at the transformation temperature and the stresses in a growing α particle have been calculated. Due to the low symmetry of α-uranium, only five slip systems are activated. This allows to find a unique solution for the relative activity of each slip system. Thus, the selection of active slip systems without ambiguity resulting form low crystallographic symmetry serves as an important advantageous property for the study of the fundamentals of plastic deformation. Structural TEM observations are in progress in order to gather experimental verification of the plasticity calculations.     

In-situ transmission electron microscopy study of dislocation processes at precipitate-free zones in a γ ′-strengthened superalloy

In precipitation-strengthened polycrystals, precipitate-free zones (PFZs) often form along grain boundaries. These PFZs lower the yield strength. In this investigation, thin foils of the commercial γ′-strengthened nickel-based superalloy Nimonic PE16 have been strained inside a transmission electron microscope and the relevant dislocation processes in the PFZs and in the γ′-strengthened material next to them have been observed under load. Since the PFZs are only solid solution strengthened, they are softer than the interior of the γ′-strengthened grains. Many different slip systems are activated in the PFZs even at relatively low external stresses. Multiple slip allows for compatible deformation of neighbouring grains. Extensive cross-slip and double cross-slip in the PFZs lead to a high dislocation multiplication rate. Easy creation of dislocations in the PFZs and pile-ups at the border between the PFZs and the γ′-strengthened interior of the grains enhance the propagation of slip across grain boundaries and thus lower the yield strength of the material.     

Dislocation slip behaviors in high-quality bulk GaN investigated by nanoindentation

The dislocation slip behaviors in GaN bulk crystal are investigated by nanoindentation, the dislocation distribution patterns formed around an impress are observed by cathodoluminescence (CL) and cross-sectional transmission electron microscope (TEM). Dislocation loops, vacancy luminescence, and cross-slips show hexagonal symmetry around the <11-20> and <1-100> direction on c-plane. It is found that the slip planes of dislocation in GaN crystal are dominated in {0001} basal plane and {10-11} pyramid plane. According to the dislocation intersection theory, we come up with the dislocation formation process and the related mechanisms are discussed.     

Slip band formation and mobile dislocation density generation in high rate deformation of single fcc crystals

The mechanisms for the nucleation, thickening, and growth of crystallographic slip bands from the sub-nanoscale to the microscale are studied using three-dimensional dislocation dynamics. In the simulations, a single fcc crystal is strained along the [111] direction at three different high strain rates: 10⁴, 10⁵, and 10⁶?s^??1. Dislocation inertia and drag are included and the simulations were conducted with and without cross-slip. With cross-slip, slip bands form parallel to active (111) planes as a result of double cross-slip onto fresh glide planes within localized regions of the crystal. In this manner, fine nanoscale slip bands nucleate throughout the crystal, and, with further straining, build up to larger bands by a proposed self-replicating mechanism. It is shown that slip bands are regions of concentrated glide, high dislocation multiplication rates, and high dislocation velocities. Cross-slip increases in activity proportionally with the product of the total dislocation density and the square root of the applied stress. Effects of cross-slip on work hardening are attributed to the role of cross-slip on mobile dislocation generation, rather than slip band formation. A new dislocation density evolution law is presented for high rates, which introduces the mobile density, a state variable that is missing in most constitutive laws.     

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.     

单晶铜纳米线屈服机理的原子模拟研究

采用分子静力学方法模拟了〈100〉单晶铜纳米线的拉伸变形过程,研究了纳米线屈服的机理. 结果表明：1） 纳米线初始屈服通过部分位错随机激活的{111}〈112〉孪生实现,后继屈服通过{111}〈112〉部分位错滑移实现;2） 纳米线变形初期不同滑移面上的部分位错在两面交线处相遇形成压杆位错,变形后期部分位错在刚性边界处塞积,两者都阻碍位错滑移,引起一定的强化作用. 关键词： 纳米线 屈服 位错 分子静力学     

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.     

Dislocation dynamic modelling of the brittle–ductile transition in tungsten

Brittle–ductile transitions in metals, ceramics and semiconductors are closely connected with dislocation activity emanating near to crack-tips. We have simulated the evolution of crack-tip plasticity using a two-dimensional dislocation dynamics model which has been developed to include two symmetric slip planes intersecting the crack-tip, and applied to single-crystal tungsten. The dislocation mobility law used was physically based on double-kink nucleation on screw dislocations, with an activation energy reduced by the local stress. Even in the strong stress gradients near a crack-tip, the dislocations are found to self-organise so that the internal stress in the array is effectively constant with time and position over a wide range of strain rates and temperatures. The resultant net activation energy for dislocation motion is found to be constant and close to the activation energy experimentally measured for the brittle–ductile transition. Use of a fracture criterion based on the local crack-tip stress intensity factor, as modified by the stresses from the emitted dislocations, allows explicit prediction of the form and temperature of the brittle–ductile transition. Predictions are found to be in very close agreement with experiment.