温度对金属材料钼位错发射的影响

应用关联参照模型、随位错位置变化的柔性位移边界条件和三维分子动力学方法研究了体心立方（ＢＣＣ）金属晶体钼在不同温度下裂尖发射位错的力学行为，随着温度的提高，不但发射位错的临界应力强度因子下降而且在同一应 度因子条件下，发射位错的数量出增加，位错速度和不全位错之间的扩展距离对温度不敏感，在位错发射过程中，发现了稳定的和不稳定的两个变形状态，在稳定的有状态，位错发射后，塞积在远离裂纹尖端处；必须增加外     

分子动力学方法在研究材料力学行为中的应用进展

报道近年来分子动力学方法应用于研究位错、裂纹、晶界及其相互作用方面的进展．主要包括:裂纹尖端的位错发射,位错发射的不稳定堆垛能,晶体与裂纹’几何关系对位错发射的影响,温度对位错发射的影响以及由裂纹尖端发射的位错列与不对称倾侧晶界的相互作用．报道主要以我们的工作为主,重点讨论裂纹尖端位错发射的研究结果      

纳米晶体铝在单轴拉伸下的位错堆积对微裂纹扩展的影响

摘要：针对纳米晶体材料,研究了单轴拉伸载荷作用下纳米晶体铝中的裂纹与裂纹尖端发射的位错所形成的滑移面之间的相互作用。通过分布位错法,将裂纹和滑移面等效为均匀分布的连续位错,获得了裂纹面上应力场。并引入裂纹尖端的无位错区,研究了裂纹尖端无位错区对微裂纹的萌生和主裂扩展之间的影响。结果表明,不考虑裂纹尖端无位错区时,裂纹长度较短,会先在晶界处形成微裂纹,主裂纹较长时,主裂纹会直接穿晶扩展。滑移面与裂纹尖端夹角较大时,会增加裂纹尖端发射的位错个数,从而抑制主裂纹的扩展。考虑裂纹尖端无位错区时,无位错区先于晶界处出现微裂纹,通过主裂纹与微裂纹之间位错的相互发射,导致裂纹与尖端处微裂纹汇合,有效加速了主裂纹的扩展。     

Dislocation behaviours ahead of crack tip

In this paper, a unified mechanics model for dislocation nucleation, emission and dislocation free zone is proposed based on the Peierls framework. Three regions are identified ahead of the crack tip. The emitted dislocations within the plastic zone in the form of an inverse pile up are treated as discrete elastic edge dislocations. Between that zone and the cohesive zone immediately ahead of the crack tip, there is a dislocation free zone. With the stress field and the dislocation density field in the cohesive zone, respectively, expressed in the first and second Chebyshev polynomial series, and the opening and slip displacements in trigonometric series, a set of nonlinear governing equations are obtained which take into account for the interaction between the emitted dislocations and cohesive zone and the nonlinear interaction between sliding displacement and the opening displacement. After discretization, the governing equations are transformed into a set nonlinear algebraic equations which are solved with Newton-Raphson Method. The results of calculation for pure shearing and combined tension and shear loading after dislocation emission are given in detail. Finally, the process of dislocation nucleation and emission on a pair of symmetric slip planes of angle α with respect to the crack plane under pure mode I load is analysed. The equilibrium positions and the number of emitted dislocation are determined. Several possible competition behaviors of dislocation emission vs cleavage are revealed.     

Transient dislocation emission from a crack tip under dynamic mode III loading

Summary  Transient dislocation emission from a crack tip under dynamic mode III loading is analyzed. By taking into account the dynamic interaction between the crack and dislocation, the governing equation for the dislocation motion is derived under the quasi-steady assumption. The behavior of dislocation emission is explored in detail by solving this equation numerically. A critical initial speed can be determined, which must be exceeded by dislocations to escape from the crack tip. The dislocation emission process is found to be completed in such a short time period that the applied load may be approximately treated as constant during dislocation emission. Based on this fact, an asymptotic criterion for transient dislocation emission is developed, from which the critical initial speed can be evaluated. In the case that the dislocation is emitted from rest, we recover the quasi-static criterion of dislocation emission. Received 22 November 2000; accepted for publication 20 March 2001     

Molecular dynamics simulations of DFZ

Dislocation emission from the crack tip in copper under mode II loading is simulated with molecular dynamics method. After 26 partial dislocations are emitted and then relaxed to reach the equilibrium under the constant displacement, the double pile-ups (including an inverse pile-up and a pile-up) are formed. i.e., the first dislocation is piled up before the obstruction, and the last dislocation is piled up ahead of the crack tip. These results conform to the TEM observations. The project supported by the National Natural Science Foundation of China     

Special rotational deformation effect on the emission of dislocations from a crack tip in deformed nanocrystalline solids

The interaction between the special rotational deformation and the crack in deformed nanocrystalline ceramics and metals is investigated by the complex variable method. We have theoretically described the effects of the disclination quadrupole produced by the special rotational deformation on the emission of lattice dislocations from the crack tip. The complex form expressions of the stress field and the force field are divided. The critical stress intensity factors for the first dislocation emission are calculated. The influence of the disclination strength, the grain size (the quadrupole arms), the location of the disclinations and the angle between the crack plane and one of the quadrupole arms, as well as the crack length on the critical stress intensity factors is discussed in detail. And the results show that, the special rotational deformation has great influence on the dislocation emission from the crack tip.     

A Peierls criterion for the onset of deformation twinning at a crack tip

A criterion for the onset of deformation twinning (DT) is derived within the Peierls framework for dislocation emission from a crack tip due to Rice (J. Mech. Phys. Solids 40(2) (1992) 239). The critical stress intensity factor (SIF) is obtained for nucleation of a two-layer microtwin, which is taken to be a precursor to DT. The nucleation of the microtwin is controlled by the unstable twinning energyγ_ut, a new material parameter identified in the analysis. γ_ut plays the same role for DT as γ_us, the unstable stacking energy introduced by Rice, plays for dislocation emission. The competition between dislocation emission and DT at the crack tip is quantified by the twinning tendencyT defined as the ratio of the critical SIFs for dislocation nucleation and microtwin formation. DT is predicted when T>1 and dislocation emission when T<1. For the case where the external loading is proportional to a single load parameter, T is proportional to . The predictions of the criterion are compared with atomistic simulations for aluminum of Hai and Tadmor (Acta Mater. 51 (2003) 117) for a number of different crack configurations and loading modes. The criterion is found to be qualitatively exact for all cases, predicting the correct deformation mode and activated slip system. Quantitatively, the accuracy of the predicted nucleation loads varies from 5% to 56%. The sources of error are known and may be reduced by appropriate extensions to the model.     

压电双材料界面钝裂纹附近螺型位错的屏蔽效应与发射条件

研究了压电双材料界面钝裂纹附近螺型位错的屏蔽效应与发射条件.应用保角变换技术,得到了复势函数与应力场的封闭形式解,讨论了位错方位、双材料电弹常数及裂纹钝化程度对位错屏蔽效应和发射条件的影响.结果表明,Burgers矢量为正的螺型位错可以降低界面钝裂纹尖端的应力强度因子(屏蔽效应),屏蔽效应随位错方位角及位错与裂纹尖端距离的增大而减弱,压电双材料中螺型位错对裂纹的屏蔽效应强于相应弹性双材料中螺型位错对裂纹的屏蔽效应;位错发射所需的临界无穷远加载或电位移随位错方位角及裂纹钝化程度的增加而增大;最可能的位错发射角度为零度即位错最可能沿裂纹前方发射.论文解答的特殊情况与已有文献一致.     

Exact solutions for piezoelectric screw dislocations near two asymmetrical edge cracks emanating from an elliptical hole

The interaction between piezoelectric screw dislocations and two asymmetrical interfacial cracks emanating from an elliptic hole under combined mechanical and electric load at infinity is dealt with. The closed-form solutions are derived for complex potentials and generalized stress fields. In the limiting cases, some well-known results can be obtained from the present solutions. Moreover, some new exact solutions are shown. The stress intensity factor and the energy release rate at the right tip due to a screw dislocation near the right interfacial crack are also calculated. The results show that the shielding effect of dislocation on crack expanding decreases with the increase in dislocation azimuth angle and the distance between the dislocation and the crack tip, and the repulsion acting on the dislocation from the other half plane demotes crack propagation. The increasing of the length of the other crack promotes crack growth, but the increasing of the minor semi-axis demotes it.     

三维冲击荷载弹塑性弯曲裂纹张开位移

主要研究冲击载荷作用下的三维弹塑性弯曲裂纹尖端的张开位移问题．综合考虑了冲击作用应力,三维塑性区域边界上正应力与剪应力,利用二阶摄动方法计算了三维弹塑性弯曲裂纹尖端的张开位移．用数值解法计算出三维弹塑性弯曲裂纹尖端张开位移,作图分析了三维弹塑性弯曲裂纹尖端张开位移与三维裂纹体几何尺寸之间的变化关系．三维弹塑性弯曲裂纹尖端张开位移随着三维裂纹体厚度的增大而减小,随着三维裂纹体厚度的均匀增大,三维弹塑性弯曲裂纹尖端张开位移尺寸不断减小,减小的幅度越来越小,最终趋于平面应变状态下的弹塑性弯曲裂纹尖端张开位移尺寸．当三维裂纹体几何尺寸相同时,三维弯曲裂纹尖端动态张开位移随外部冲击载荷的不断增大而逐渐增大,三维弯曲裂纹尖端动态张开位移随动荷系数的增大而迅速增大,建立了一个计算三维弹塑性弯曲裂纹尖端动态张开位移的崭新理论模型．     

Cracking characteristics of mixed mode dislocations near a lip-like mode crack

This work is concerned with the cracking characteristics of mixed mode dislocations near a lip-like mode crack, stress intensity and strain energy density factor are obtained by using conformal mapping, singularity analysis and Cauchy integrals. Shielding effect generated by screw dislocation near a lip-like mode crack decreases with the increment of the distance between screw dislocation and crack tip. Larger distance between two faces of the crack leads to the shielding effect waning. The strain energy density factor of mode III decreases with the increment of the distance between dislocation and crack tip. Larger distance between two faces of lip-like mode crack also leads to the strain energy density factor waning and encourages crack initiation; the shielding effects generated by edge dislocation near the crack decrease with the increment of the distance between edge dislocation and crack tip.     

Molecular dynamics simulation of crack-tip processes in copper

The crack tip processes in copper under mode II loading have been simulated by a molecular dynamics method. The nucleation, emission, dislocation free zone (DFZ) and pile-up of the dislocations are analyzed by using a suitable atom lattice configuration and Finnis & Sinclair potential. The simulated results show that the dislocation emitted always exhibits a dissociated fashion. The stress intensity factor for dislocation nucleation, DFZ and dissociated width of partial dislocations are strongly dependent on the loading rate. The stress distributions are in agreement with the elasticity solution before the dislocation emission, but are not in agreement after the emission. The dislocation can move at subsonic wave speed (less than the shear wave speed) or at transonic speed (greater than the shear wave speed but less than the longitudinal wave speed), but at the longitudinal wave speed the atom lattice breaks down. The project supported by the National Natural Science Foundation of China     

Nanoscale rotational deformation effect on dislocation emission from an elliptically blunted crack tip in nanocrystalline materials

A grain size-dependent model is theoretically established to describe the effect of a special physical micromechanism of plastic flow on the dislocation emission from an elliptical blunt crack tip in nanocrystalline solids. The micromechanism represents the fast nanoscale rotational deformation (NRD) occurring through collective events of ideal nanoscale shear near crack tips, which as a stress source is approximately equivalent to a quadrupole of wedge disclinations. By the complex variable method, the grain size-dependent criterion for the dislocation emission from an elliptical blunt crack tip is derived. The influence of the grain size and the features of NRD on the critical stress intensity factors for dislocation emission is evaluated. The results indicate that NRD releases the high stresses near the crack tip region and thereby enhances the critical stress intensity factor for dislocation emission. The NRD has great influence on the most probable angle for dislocation emission. The critical stress intensity factor will increase with the increment of the grain size, which means the emission of the dislocation becomes more difficult for larger grain size due to the effect of NRD.     

关联参照模型和位错发射过程的分子动力学模拟

提出关联参照模型和随位错位置变化的柔性位移边界条件．提供了一个在固定位移边界条件下位错穿越边界的方法．应用三维分子动力学方法研究了体心立方（ＢＣＣ）金属晶体钼裂尖发射位错的力学行为．     

A generalized screw dislocation interacting with interfacial cracks along a circular inhomogeneity in magnetoelectroelastic solids

The interaction of a generalized screw dislocation with circular arc interfacial cracks under remote antiplane shear stresses, in-plane electric and magnetic loads in transversely isotropic magnetoelectroelastic solids is dealt with. By using the complex variable method, the general solutions to the problem are presented. The closed-form expressions of complex potentials in both the inhomogeneity and the matrix are derived for a single circular-arc interfacial crack. The intensity factors of stress, electric displacement and magnetic induction are provided explicitly. The image forces acting on the dislocation are also calculated by using the generalized Peach–Koehler formula. For the case of piezoelectric matrix and piezomagnetic inclusion, the shielding and anti-shielding effect of the dislocation upon the stress intensity factors is evaluated in detail. The results indicate that if the distance between the dislocation and the crack tip remains constant, the dislocation in the interface will have a largest shielding effect which retards the crack propagation. In addition, the influence of the interfacial crack geometry and materials magnetoelectroelastic mismatch upon the image force is discussed. Numerical computations show that the perturbation effect of the above parameters upon the image force is significant. The main result shows that a stable or unstable equilibrium point may be found when a screw dislocation approaches the surface of the crack from infinity which differs from the perfect bonded case under the same conditions. The present solutions contain a number of previously known results which can be shown to be special cases.     

Simulation of edge dislocation emission from a crack under in-plane shear

Considered is the tandem emission of dislocations and dislocation dipoles from a crack under in-plane shear in one slip system as well as multiple slip systems. Effective stress intensity factors are determined by considering zones of local distortion similar to that in macro-plasticity. The dislocation free zone (DFZ) is also obtained which is analogous to the core region in fracture mechanics. Studied are effects of dislocation emission or development of plastic zone in front of the crack tip on the potential crack propagation based on the strain energy density factor criterion.     

Effect of constraint induced by crack depth on creep crack-tip stress field in CT specimens

In this paper, the effect of constraint induced by the crack depth on creep crack-tip stress field in compact tension (CT) specimens is examined by finite element analysis, and the effect of creep deformation and damage on the Hutchinson–Rice–Rosengren (HRR) singularity stress field are discussed. The results show the constraint induced by crack depth causes the difference in crack-tip opening stress distributions between the specimens with different crack depth at the same C*. The maximum opening stress appears at a distance from crack tips, and the stress singularity near the crack tips does not exist due to the crack-tip blunting caused by the large creep deformation in the vicinity of the crack tips. The actual stress calculated by the finite element method (FEM) in front of crack tip is significantly lower than that predicted by the HRR field. Based on the reference stress field in the deep crack CT specimen with high constraint, a new constraint parameter R is defined and the constraint effect in the shallow crack specimen is examined at different distances ahead of the crack tip from transient to steady-state creep conditions. During the early stages of creep constraint increases with time, and then approaches a steady state value as time increases. With increasing the distance from crack tips and applied load, the negative R increases and the constraint decreases.     

Edge dislocations generated from blunt crack tip in viscoelastic material under residual stress

The 2D model of edge dislocations generation from blunt crack tip in viscoelastic material under residual stress has been proposed, the solution of stress field and displacement field are solved by using complex potential method, conformal mapping and Laplace inverse transformation. The explicit expressions of stress intensity factor, strain energy density and crack tip slide displacement are obtained in closed form. The principle of compatibility of blunt crack to edge dislocations has been used to evaluate the dislocations number and dimensionless ratio α. Numerical results present that the number of edge dislocations first increases and then decreases with increase of zone size ratio of the dislocations zone and none-dislocations zone, but it can be reduced by higher configurations ratio of semi-minor axis and semi-major axis. In addition, it increases with time and tends to be a constant quickly. The normalized multiplier α first increases and then decreases with increase of zone size ratio. In addition, it decreases with time and the increase of crack configurations ratio. Both normalized micro-volume SED and normalized dislocation-volume SED decrease with increase of distance from crack tip and tend to vanish. But the dislocation-volume SED decreases more quickly than micro-volume SED does, because of its stronger singularity. Moreover, they increase with time and decrease of configurations ratio.