A Unified Interpretation of Stress in Molecular Systems

The microscopic definition for the Cauchy stress tensor has been examined in the past from many different perspectives. This has led to different expressions for the stress tensor and consequently the “correct” definition has been a subject of debate and controversy. In this work, a unified framework is set up in which all existing definitions can be derived, thus establishing the connections between them. The framework is based on the non-equilibrium statistical mechanics procedure introduced by Irving, Kirkwood and Noll, followed by spatial averaging. The Irving–Kirkwood–Noll procedure is extended to multi-body potentials with continuously differentiable extensions and generalized to non-straight bonds, which may be important for particles with internal structure. Connections between this approach and the direct spatial averaging approach of Murdoch and Hardy are discussed and the Murdoch–Hardy procedure is systematized. Possible sources of non-uniqueness of the stress tensor, resulting separately from both procedures, are identified and addressed. Numerical experiments using molecular dynamics and lattice statics are conducted to examine the behavior of the resulting stress definitions including their convergence with the spatial averaging domain size and their symmetry properties.     

Determination of stress intensity factor with direct stress approach using finite element analysis

In this article,a direct stress approach based on finite element analysis to determine the stress intensity fac-tor is improved.Firstly,by comparing the rigorous solution against the asymptotic solution for a problem of an infinite plate embedded a central crack,we found that the stresses in a restrictive interval near the crack tip given by the rigorous solution can be used to determine the stress intensity fac-tor,which is nearly equal to the stress intensity factor given by the asymptotic solution.Secondly,the crack problem is solved numerically by the finite element method.Depending on the modeling capability of the software,we designed an adaptive mesh model to simulate the stress singularity.Thus, the stress result in an appropriate interval near the crack tip is fairly approximated to the rigorous solution of the corre-sponding crack problem.Therefore,the stress intensity factor may be calculated from the stress distribution in the appro-priate interval,with a high accuracy.     

The interaction of doubly periodic cracks

In this paper, an extremely accurate and efficient method for computing the interaction of a set of or multiple sets of general doubly periodic cracks has been presented on the basis of superposition principle, pseudo-traction method, and isolating analysis technique. A great number of typical examples are given in this paper. The stress intensity factors (SIF), the minimum strain energy density factors (SED) of crack tip and the critical stress (CRS) of crack growth are calculated with the accuracy of six significant digits for the rectangularly distributed periodic cracks and five significant digits for the general doubly periodic cracks. The relation of the interaction effect of the double periodic cracks with the periods and the ratio of crack length to crack spacing is analyzed. Also in this paper, the key technique problems for this method are discussed.     

A Critique of Atomistic Definitions of the Stress Tensor

Current interest in nanoscale systems and molecular dynamical simulations has focussed attention on the extent to which continuum concepts and relations may be utilised meaningfully at small length scales. In particular, the notion of the Cauchy stress tensor has been examined from a number of perspectives. These include motivation from a virial-based argument, and from scale-dependent localisation procedures involving the use of weighting functions. Here different definitions and derivations of the stress tensor in terms of atoms/molecules, modelled as interacting point masses, are compared. The aim is to elucidate assumptions inherent in different approaches, and to clarify associated physical interpretations of stress. Following a critical analysis and extension of the virial approach, a method of spatial atomistic averaging (at any prescribed length scale) is presented and a balance of linear momentum is derived. The contribution of corpuscular interactions is represented by a force density field f. The balance relation reduces to standard form when f is expressed as the divergence of an interaction stress tensor field, T ⁻. The manner in which T ⁻ can be defined is studied, since T ⁻ is unique only to within a divergence-free field. Three distinct possibilities are discussed and critically compared. An approach to nanoscale systems is suggested in which f is employed directly, so obviating separate modelling of interfacial and edge effects.      

Atomistic and continuum studies of stress and strain fields near a rapidly propagating crack in a harmonic lattice

Large-scale atomistic simulations of a mode I crack propagating in a harmonic lattice are presented. The objective of this work is to study the stress and strain fields near a rapidly propagating mode I crack. The asymptotic continuum mechanics solutions of the elastic fields are compared quantitatively with molecular-dynamics simulation results for different crack velocities. It is observed that both atomistic stress and atomistic strain can be successfully related to the corresponding continuum quantities. The study reveals that the atomistic simulation results agree well with the continuum theory predictions, which suggests that the continuum theory can be applied for nano-scale dynamic problems.     

Interaction between collinear periodic cracks in an infinite piezoelectric body

The problem of collinear periodic cracks in an infinite piezoelectric body is studied. Effect of saturation strips at the crack-tips is taken into account. By means of the Stroh formalism and the conformal mapping technique, the general periodic solutions for collinear cracks are obtained. The stress intensity factors and the size of saturation strips are derived analytically, and their dependencies on the ratio of the periodicity on the half-length of the crack are analyzed in detail. Numerical results show the following two facts. (1) When h/l>4.0, the stress intensity factors become almost identical to those of a single crack in an infinite piezoelectric body. This indicates that the interaction between cracks can be ignored in establishing the criterion for the crack initiation in this case. (2) The speed of the saturation strip size of periodic cracks approaching that of a single crack depends on the electric load applied at infinity. In general, a large electric load at infinity is associated with a slow approaching speed.     

压应力对压剪裂纹扩展的影响研究

本文针对压剪裂纹的启裂及扩展问题,研究了脆性材料中裂纹面压应力变化对其扩展的影响规律.借助双轴加载试验机可自由调节两个轴位移和力的优势,设计了一种单边对称双裂纹压剪试样.试验中,施加裂纹面压应力至不同的预设值后,使剪应力单调增大直至裂纹启裂及扩展,得到不同预设压应力下压剪裂纹启裂及扩展规律. 随着预设压应力增大,启裂角增大,裂纹扩展路径与初始裂纹的偏角也增大.但随着压应力增大,启裂角增大至一定值后趋于稳定,实验发现,依据裂纹是否闭合,压应力对压剪裂纹扩展的作用大致可分为两个阶段:闭合前,压应力对裂纹启裂载荷及启裂角、扩展路径均有影响,预设压应力增大,裂纹启裂载荷增大、启裂角增大,扩展路径愈来愈偏离初始裂纹方向;闭合后,压应力虽然增大,启裂角和临界压剪应力比始终恒定,压应力对临界剪力和扩展路径存在一定影响.研究表明,裂纹启裂角与启裂时的压剪应力比存在一定的对应关系.启裂时的压剪应力比增大,启裂角增大,启裂时的压剪应力比恒定,启裂角不变.      

INVESTIGATION ON APPLICABILITY OF VARIOUS STRESS DEFINITIONS IN ATOMISTIC SIMULATION

How to correctly extract Cauchy stress from the atomistic simulations is a crucial issue in studying the mechanical behaviours of atomic systems, but is still in controversy. In this paper, three typical atomistic simulation examples are used to validate various existing stress definitions. It is found that the classical virial stress fails in predicting the stresses in these examples, because the velocity depends on the choice of the local average volume or the reference frame velocity and other factors. In contrast, the Lagrangian cross-section stress and Lagrangian virial stress are validated by these examples, and the instantaneous Lagrangian atomic stress definition is also proposed for dynamical problems.     

Mixed mode fatigue crack growth in test coupons made from 2024-T3 aluminum

In this paper, two different fracture criteria are applied to determine the crack trajectory or angle of crack propagation in test specimens containing inclined cracks emanating from open holes. Also, different crack growth rate models are assumed for each criterion. The maximum principal stress criterion is used with a crack growth-rate equation based on an effective stress intensity factor. The strain energy density criterion is used with a crack growth-rate equation corresponding to an effective strain energy density factor. The crack growth-rate models for each criterion were constructed using unpublished fatigue crack growth data for 2024-T3 aluminum.     

The damage tolerance of elastic-brittle, two-dimensional isotropic lattices

The fracture toughness of elastic-brittle 2D lattices is determined by the finite element method for three isotropic periodic topologies: the regular hexagonal honeycomb, the Kagome lattice and the regular triangular honeycomb. The dependence of mode I and mode II fracture toughness upon relative density is determined for each lattice, and the fracture envelope is obtained in combined mode I-mode II stress intensity factor space. Analytical estimates are also made for the dependence of mode I and mode II toughness upon relative density. The high nodal connectivity of the triangular grid ensures that it deforms predominantly by stretching of the constituent bars, while the hexagonal honeycomb deforms by bar bending. The Kagome microstructure deforms by bar stretching remote from the crack tip, and by a combination of bar bending and bar stretching within a characteristic elastic deformation zone near the crack tip. This elastic zone reduces the stress concentration at the crack tip in the Kagome lattice and leads to an elevated macroscopic toughness.Predictions are given for the tensile and shear strengths of a centre-cracked panel with microstructure given explicitly by each of the three topologies. The hexagonal and triangular honeycombs are flaw-sensitive, with a strength adequately predicted by linear elastic fracture mechanics (LEFM) for cracks spanning more than a few cells. In contrast, the Kagome microstructure is damage tolerant, and for cracks shorter than a transition length its tensile strength and shear strength are independent of crack length but are somewhat below the unnotched strength. At crack lengths exceeding the transition value, the strength decreases with increasing crack length in accordance with the LEFM estimate. This transition crack length scales with the parameter of bar length divided by relative density of the Kagome grid, and can be an order of magnitude greater than the cell size at low relative densities. Finally, the presence of a boundary layer is noted at the free edge of a crack-free Kagome grid loaded in tension and in shear. Deformation within this boundary layer is by a combination of bar bending and stretching whereas remote from the free edge the Kagome grid deforms by bar stretching (with a negligible contribution from bar bending). The edge boundary layer degrades both the macroscopic stiffness and strength of the Kagome plate. No such boundary layer is evident for the hexagonal and triangular honeycombs.     

The nonlocal solution of two parallel cracks in functionally graded materials subjected to harmonic anti-plane shear waves

In this paper, the dynamic interaction of two parallel cracks in functionally graded materials (FGMs) is investigated by means of the non-local theory. To make the analysis tractable, the shear modulus and the material density are assumed to vary exponentially with the coordinate vertical to the crack. To reduce mathematical difficulties, a one-dimensional non-local kernel is used instead of a two-dimensional one for the dynamic problem to obtain stress fields near the crack tips. By use of the Fourier transform, the problem can be solved with the help of two pairs of dual integral equations, in which the unknown variables are the jumps of displacements across the crack surfaces. To solve the dual integral equations, the jumps of displacements across the crack surfaces are expanded in a series of Jacobi polynomials. Unlike the classical elasticity solutions, it is found that no stress singularity is present at the crack tips. The non-local elastic solutions yield a finite hoop stress at the crack tips. The present result provides theoretical references helpful for evaluating relevant strength and preventing material failure of FGMs with initial cracks. The magnitude of the finite stress field depends on relevant parameters, such as the crack length, the distance between two parallel cracks, the parameter describing the FGMs, the frequency of the incident waves and the lattice parameter of materials. The project supported by the National Natural Science Foundation of China (90405016, 10572044) and the Specialized Research Fund for the Doctoral Program of Higher Education (20040213034). The English text was polished by Yunming Chen.     

Stress and energy density fields near a blunted crack front in power hardening material

Using Jaumann and Dienes rates of Euler stress in elastic-plastic constitutive equations of finite deformation, plane strain finite element analysis for a compact tension specimen with a blunted crack front is made. The Euler stress, Kirchhoff stress and volume strain energy density near a blunted crack tip are computed. Constitutive relations with different deformation rates affect the the near crack tip solution in a region within an order of magnitude of the crack opening displacement. The results differed from the corresponding solution of deformation plasticity (or nonlinear elasticity) with increasing deformation. They are smaller in a local region of about 2 to 10 times of the crack opening distance.The volume energy density near the crack tip is computed, the stationary values of which determine the locations of extensive yielding and possible sites of crack initiation. It remained nearly constant with increasing deformation. Such a character tends to support the volume energy density criterion as a means for quantifying the ductile fracture behavior of metals.     

Finite boundary effects in problem of a crack perpendicular to and terminating at a bimaterial interface

In this paper, the problem of a crack perpendicular to and terminating at an interface in bimaterial structure with finite boundaries is investigated. The dislocation simulation method and boundary collocation approach are used to derive and solve the basic equations. Two kinds of loading form are considered when the crack lies in a softer or a stiffer material, one is an ideal loading and the other one fits to the practical experiment loading. Complete solutions of the stress field including the T stress are obtained as well as the stress intensity factors. Influences of T stress on the stress field ahead of the crack tip are studied. Finite boundary effects on the stress intensity factors are emphasized. Comparisons with the problem presented by Chen et al. (Int. J. Solids and Structure, 2003, 40, 2731–2755) are discussed also.The project supported by the National Natural Science Foundation of China (10202023 and 10272103), and the Key Project of CAS (KJCX2-SW-L2).     

Intergranular strain evolution near fatigue crack tips in polycrystalline metals

The deformation field near a steady fatigue crack includes a plastic zone in front of the crack tip and a plastic wake behind it, and the magnitude, distribution, and history of the residual strain along the crack path depend on the stress multiaxiality, material properties, and history of stress intensity factor and crack growth rate. An in situ, full-field, non-destructive measurement of lattice strain (which relies on the intergranular interactions of the inhomogeneous deformation fields in neighboring grains) by neutron diffraction techniques has been performed for the fatigue test of a Ni-based superalloy compact tension specimen. These microscopic grain level measurements provided unprecedented information on the fatigue growth mechanisms. A two-scale model is developed to predict the lattice strain evolution near fatigue crack tips in polycrystalline materials. An irreversible, hysteretic cohesive interface model is adopted to simulate a steady fatigue crack, which allows us to generate the stress/strain distribution and history near the fatigue crack tip. The continuum deformation history is used as inputs for the micromechanical analysis of lattice strain evolution using the slip-based crystal plasticity model, thus making a mechanistic connection between macro- and micro-strains. Predictions from perfect grain-boundary simulations exhibit the same lattice strain distributions as in neutron diffraction measurements, except for discrepancies near the crack tip within about one-tenth of the plastic zone size. By considering the intergranular damage, which leads to vanishing intergranular strains as damage proceeds, we find a significantly improved agreement between predicted and measured lattice strains inside the fatigue process zone. Consequently, the intergranular damage near fatigue crack tip is concluded to be responsible for fatigue crack growth.     

Stress intensity factors for interface crack in finite size specimen using a generalized variational approach

A generalized variational approach together with eigenfunction expansion is applied to determine the stress intensity factors for interface crack in finite size specimen. Application is also made of the complex potentials such that a complex stress intensity factor with components corresponding to the Mode I and II stress intensity factors can be identified with one of the leading coefficients in the eigenfunction expansion. Obtained are the numerical values of the stress intensity factors for an interface edge crack in a bimaterial rectangular specimen. The outside boundary is subjected to uniform stress normal and parallel to the crack. Solutions are also obtained for the same crack aand specimen geoinetry is subjected to a pair of equal and opposite concentrated forces along the open end away from the edge crack. The third example pertains to the case of three-point bending where the centre concentrated load is directed along the interface dividing the two materials. Numerical results are obtained for four different combinations of the bimaterial specimen with an interface edge crack.     

多层材料结构的界面裂纹尖端复应力强度因子

本文建立了一种多层材料复合结构的界面裂纹问题分析模型。当两种材料之间插入第三种薄层弹性材料,裂纹位于第三种材料与第一或第二种弹性材料的界面上,且插页材料3~#的厚度相对于裂纹尺寸或平面内其他尺寸很小时,可以得到该问题裂纹尖端的复应力强度因子通式。本文用有限元法对结果进行了数值验证,并进行了有关问题的讨论。     

The average stress tensor in systems with interacting particles

The derivation of an expression of the macroscopic stress tensor in terms of microscopic variables in systems of finite interacting particles is discussed from different points of view. It is shown that in volume averaging the introduction of a fictitious “interaction stress field”T ^I with special boundary conditions on the boundary of the averaging volume is needed. In ensemble averaging similar results are obtained by using a multipole expansion of the local stress and force fields. In the appropriate limiting cases, the obtained results are shown to be consistent with the results of kinetic theories of polymer solutions. Paper, presented at the First Conference of European Rheologists at Graz, April 14 – 16, 1982.     

动脉压对静脉血管壁周向应力分布的影响

自体静脉是病变动脉管段常用的替代物。移植后因承受压力急剧升高引起的静脉管壁应力改变是影响移植手术的主要因素之一。为了比较移植前(静脉压作用下)和移植后(动脉压作用下)静脉管壁的周向应力分布，本文通过检测一定轴向伸长比条件下静脉管的p(压力)——V(容积)试验数据，利用3参数的应变能密度函数对实验数据进行拟合，进而求得静脉管壁的残余应力和沿血管壁的周向应力分布。对狗的股静脉和颈静脉的分析结果表明，在动脉压作用下静脉管壁周向应力将急剧增大。与处于静脉压环境相比，处于动脉压环境中的颈静脉管周向应力将增大差不多2个数量级。计算结果还显示，静脉管壁残余应力的数值虽然比动脉管壁的相应值小很多，但是与动脉管相同，血管壁残余应力依然对静脉管壁上的周向应力分布影响显著，残余应力的存在将大大削弱在静脉管内壁处的周向应力集中，使周向应力沿静脉管壁厚的变化梯度明显减小。     

Bond-based peridynamic modelling of singular and nonsingular crack-tip fields

A static meshfree implementation of the bond-based peridynamics formulation for linearly elastic solids is applied to the study of the transition from local to nonlocal behavior of the stress and displacement fields in the vicinity of a crack front and other sources of stress concentration. The long-range nature of the interactions between material points that is intrinsic to and can be modulated within peridynamics enables the smooth transition from the square-root singular stress fields predicted by the classical (local) linear theory of elasticity, to the nonsingular fields associated with nonlocal theories. The accuracy of the peridynamics scheme and the transition from local to nonlocal behavior, which are dictated by the lattice spacing and micromodulus function, are assessed by performing an analysis of the boundary layer that surrounds the front of a two dimensional crack subjected to mode-I loading and of a cracked plate subjected to far-field tension.     

Why traction-free? Piezoelectric crack and Coulombic traction

The non-zero traction condition is introduced in piezoelectric crack problems with the unknown Coulombic traction acting on the crack surfaces. An analytical solution under this condition is obtained by means of the generalized Stroh formalism and by accounting for the permittivity of medium inside the crack gap. As the crack in such materials can be thought of as a low-capacitance medium carrying a potential drop, the Coulombic traction always pulls the two opposite surfaces of the crack together. It is proved that under relatively larger mechanical loading and relatively smaller electrical field, the Coulombic traction may be negligible and the previous investigations under the traction-free crack condition may be accepted in a tolerant way, otherwise the Coulombic traction may lead to some erroneous results with over 10% relative errors. It is also shown that, unlike the traction-free crack condition, the applied electric field does change the Mode I stress intensity factor (SIF) for a central crack in an infinite plane piezoelectric material, and in this way may significantly influence piezoelectric fracture. It is also concluded that the variable tendencies of the normalized SIF and the ERR against the applied electric field depend on the mechanical loading levels. This load-dependence feature may lead to a transformation of the normalized SIF and the ERR from an even functional dependence to an odd functional dependence on the applied electric field.