The non-uniqueness of the atomistic stress tensor and its relationship to the generalized Beltrami representation

The non-uniqueness of the atomistic stress tensor is a well-known issue when defining continuum fields for atomistic systems. In this paper, we study the non-uniqueness of the atomistic stress tensor stemming from the non-uniqueness of the potential energy representation. In particular, we show using rigidity theory that the distribution associated with the potential part of the atomistic stress tensor can be decomposed into an irrotational part that is independent of the potential energy representation, and a traction-free solenoidal part. Therefore, we have identified for the atomistic stress tensor a discrete analog of the continuum generalized Beltrami representation (a version of the vector Helmholtz decomposition for symmetric tensors). We demonstrate the validity of these analogies using a numerical test. A program for performing the decomposition of the atomistic stress tensor called MDStressLab is available online at http://mdstresslab.org.     

可调控靶中应力波形的吉帕压力范围平面爆炸加载技术

分析了应力波通过不同介质的交界面时,应力波所具有的动量在界面两边的重新分配与影响动量在边界上转移的因素。讨论了靶中应力波幅度和宽度的调控方法、冲击器的飞行速度与厚度的相关性、靶中应力波的平面范围。给出了可调控靶中应力波形的平面低压化爆加载装置的应用实例。     

Convergence of local atomistic stress based on periodic lattice

Local stress in an atomic system, which provides an average stress measurement within a spatial volume containing a collection of atoms, is essential for determining the mechanical properties of a nanoscale structure as well as developing a proper multiscale modeling technique. Theoretically, the smaller averaging volume where a local stress can converge, the closer this atomistic stress definition can approach the ideal continuum stress. As a result, the more accurate stress concentration can be evaluated for the inhomogeneous case. With reference to the previous studies focusing on the spherical averaging volume, dependent on the type of crystals, the convergent radius of the virial stress or Hardy stress usually spans the size of several lattice constants. In this paper, we find that, once the averaging volume is periodic, the convergence of the virial stress and Hardy stress can be accomplished within one single lattice, which is much smaller than what is required by other non-periodic volumes such as a sphere. In the final section, a cracked sodium chloride crystal is considered to demonstrate that the crack opening stress described by the periodic lattices captures the stress concentration near the crack tip.     

Determination of stress intensity factors in half-plane containing several moving cracks

The dynamic stress intensity factors in a half-plane weakened by several finite moving cracks are investigated by employing the Fourier complex transformation. Stress analysis is performed in a half-plane containing a single dislocation and without dislocation. An exact solution in a closed form to the stress fields and displacement is ob- tained. The Galilean transformation is used to transform between coordinates connected to the cracks. The stress components are of the Cauchy singular kind at the location of dislocation and the point of application of the the influence of crack length and crack running force. Numerical examples demonstrate velocity on the stress intensity factor.     

一维六方准晶中星形静态裂纹和运动裂纹的解析解

利用复变函数方法研究了一维六方准晶中星形静态裂纹和运动裂纹的反平面剪切问题,得到了星形裂纹尖端处应力强度因子和动应力强度因子的解析解.当裂纹条数给定时,由此可得到直线裂纹,Griffith裂纹,共点均匀分布三裂纹,对称十字形裂纹,米字型裂纹(对称八裂纹)静力学和动力学问题的解析解.当k=4时,用数值算例讨论了声子场-相位子场耦合系数和裂纹运动速度对动应力强度因子的影响.当速度趋于0时,运动裂纹的解可以退化为静态裂纹的解.     

超声瑞利波测试材料表面载荷应力的实验研究

实验研究了利用超声瑞利波传播特性测试材料表面应力的方法.在测试过程中采用回振法测声速,以分辨应力作用引起声速的徽小变化;并设计夹具实现探头与试样之间的稳定耦合和弹性接触,精简了实验机构,提高了实验精度.研究结果表明,在应力作用下,平行和垂直于应力方向传播的瑞利波发生了相应的变化:应力较小时,声速随应力变化较快;随着应力...     

FCC金属塑性屈服的尺度效应和应变率响应

对纳米尺度单晶铜的剪切变形进行了分子动力学（MD）模拟．模拟结果表明,单晶铜的剪切屈服应力随模型几何尺度的增大而降低,而随着应变率的增大而升高．基于位错形核理论,建立了一个修正的指数法则来描述面心立方（FCC）金属的尺度效应,该法则与较大尺度范围内（从纳米到毫米以上）的数值模拟结果以及实验数据都符合得比较好．另外,MD模拟中发现单晶铜存在一个临界应变率,当施加的应变率小于该值,剪切屈服应力几乎不随应变率变化而变化;当大于该值,剪切屈服应力会随着应变率的增加迅速升高．最后根据模拟的结果建立了单晶铜和单晶镍塑性屈服强度的应变率响应模型．     

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.     

A device for measuring the velocity of ultrasonic waves: An application to stress analysis

In this paper we present a device for the practical application of an ultrasonic critical-angle refractometry (UCRfr) technique. UCRfr is a technique for measuring the velocity of longitudinal, shear and Rayleight waves, developed to improve the traditional ultrasonic methods for measuring the stress level in materials by means of acousto-elasticity. The technique consists of relating the variations in wave propagation velocity to variations in the angle of refraction at the interface with a second medium. Variations in the angle of refraction are determined on the basis of delay in receiving of the same wave at two different points. The study deals with the measurements of velocity changes of longitudinal wave due to uniaxial stress. In the present work the effects of stress on aluminum and steel specimens have been studied. Experimentation has show the potential of the technique for stress measurement; on the other hand, when the applied stress is known, it allows the measurement of the acoustoelastic constants of longitudinal waves. As regards measuring variations in velocity induced by stress, using this method it is possible, with a suitable choice of the material the device is made of, to isolate the effects of stress on velocity from the possible effects of temperature.     

Stress dependence of cross slip energy barrier for face-centered cubic nickel

The energy barrier for the cross slip of screw dislocations in face-centered cubic (FCC) nickel as a function of multiple stress components is predicted by both continuum line tension and discrete atomistic models. Contrary to Escaig's claim that the Schmid stress component has a negligible effect on the energy barrier, we find that the line tension model, when solved numerically, predicts comparable effects from the Schmid stress and the Escaig stress on the cross slip plane. When the line tension model is compared against an atomistic model for FCC nickel, a good agreement is found for the effect of the Escaig stress on the glide plane. However, the atomistic model predicts a stronger effect than the line tension model for the two stress components on the cross slip plane. This discrepancy is larger at higher stresses and is also more severe for the Escaig stress component than for the Schmid stress component.     

A solution for the vertical variation of stress,rather than velocity,in a three-dimensional circulation model

A simple technique is presented that allows a numerical solution to be sought for the vertical variation of shear stress as a substitute for the vertical variation of velocity in a three-dimensional hydrodynamic model. In its most general form the direct stress solution (DSS) method depends only upon the validity of an eddy viscosity relation between the shear stress and the vertical gradient of velocity. The rationale for preferring a numerical solution for shear stress to one for velocity is that shear stress tends to vary more slowly over the vertical than velocity, particularly near boundaries. Consequently, a numerical solution can be obtained much more efficiently for shear stress than for velocity. When needed, the velocity profile can be recovered from the stress profile by solving a one-dimensional integral equation over the vertical. For most practical problems this equation can be solved in closed form. Comparisons are presented between the DSS technique, the standard velocity solution technique and analytical solutions for wind-driven circulation in an unstratified, closed, rectangular channel governed by the linear equations of motion. In no case was the computational effort required by the velocity solution competitive with the DSS when a physically realistic boundary layer was included. The DSS technique should be particularly beneficial in numerical models of relatively shallow water bodies in which the bottom and surface boundary layers occupy a significant portion of the water column.     

偶应力理论的无网格法

根据偶应力理论的基本方程,在能量泛函中引入罚函数来满足偶应力理论的几何约束条件,从而得到偶应力理论的无网格法的控制方程.通过算例,分析了偶应力对带中心圆孔的无限平板在单轴拉伸及纯剪状态下的应力集中的影响,验证了该无网格方法的有效性和可行性.     

构造极坐标中Airy应力函数的观察法

通过引入Airy应力函数，平面问题可以归结为在给定的边界条件下求解一个双调和方程．因此对双调和函数性质的研究将有利于平面问题的求解．首先给出一个有关双调和函数的引理，并分别从复变和微分两种角度提供该引理的证明．借助这个引理，提出了一种构造极坐标中Airy应力函数的观察法．最后，举例说明了该观察法在几个经典平面问题中的应用．这些例子说明，利用本的观察法可以将某些平面问题应力函数构造的过程简单化。     

超声纯横波法测试45#钢的内部应力

声各向同性的金属材料在应力作用下,材料表现出声各向异性,这是用声弹性法分析材料内部应力的基础。本文用垂直于应力方向传播的超声纯横波对45#钢进行测试,测试时横波的偏振化方向分别平行和垂直于应力方向。实验结果表明:材料在拉、压应力作用下,相互正交的两超声纯横波的声速都发生了变化,且声各向异性因子与应力成线性关系。利用此关系可测试材料内部应力,提供了一种无损测试材料内部应力的方法,另外本实验方法也可以对材料内部残余应力进行评估。实验中利用回振法测量声速,可测量声速的微小变化,精度高。     

The continuum elastic and atomistic viewpoints on the formation volume and strain energy of a point defect

We discuss the roles of continuum linear elasticity and atomistic calculations in determining the formation volume and the strain energy of formation of a point defect in a crystal. Our considerations bear special relevance to defect formation under stress. The elasticity treatment is based on the Green's function solution for a center of contraction or expansion in an anisotropic solid. It makes possible the precise definition of a formation volume tensor and leads to an extension of Eshelby's [Proc. R. Soc. London Ser. A 241 (1226), 376] result for the work done by an external stress during the transformation of a continuum inclusion. Parameters necessary for a complete continuum calculation of elastic fields around a point defect are obtained by comparing with an atomistic solution in the far field. However, an elasticity result makes it possible to test the validity of the formation volume that is obtained via atomistic calculations under various boundary conditions. It also yields the correction term for formation volume calculated under these boundary conditions. Using two types of boundary conditions commonly employed in atomistic calculations, a comparison is also made of the strain energies of formation predicted by continuum elasticity and atomistic calculations. The limitations of the continuum linear elastic treatment are revealed by comparing with atomistic calculations of the formation volume and strain energies of small crystals enclosing point defects.     

局部狭窄血管中血液振荡流的速度和切应力

本文建立一种分析局部缓慢狭窄血管中血液振荡流的数学模型，给出了血液的轴向流速，径向流速和切应力的包含压力梯度项的解析表达式，并讨论了血管内由局部狭窄引起的压力梯度沿轴向变化的规律。文章以局部余弦狭窄为例进行数值计算，详细讨论上游均匀管段压力梯度的定常部分和不同次谐波对狭窄管段内流速和切应力的影响。数值结果表明，与均匀管情况相比，在狭窄段内，血液振荡流轴向流速无论平均值还是脉动幅值均明显增大，且径向流速不再为零。但径向流速仍远小于轴向流速。同时，切应力也不再仅由轴向流速梯度提供，径向流速梯度也将产生切应力，但是在计算管壁切向上的切应力时，径向流速梯度的贡献仍相当大。与均匀管管壁切应力沿流运方向保持恒定不同。狭窄管管壁切应力（平均值和脉动值）将随着狭窄高度的增大而增大，在狭窄最大高度处达到最大，因而沿流动方向产生了较大的切应力梯度。     

Multiscale plasticity modeling: coupled atomistics and discrete dislocation mechanics

A computational method (CADD) is presented whereby a continuum region containing dislocation defects is coupled to a fully atomistic region. The model is related to previous hybrid models in which continuum finite elements are coupled to a fully atomistic region, with two key advantages: the ability to accomodate discrete dislocations in the continuum region and an algorithm for automatically detecting dislocations as they move from the atomistic region to the continuum region and then correctly “converting” the atomistic dislocations into discrete dislocations, or vice-versa. The resulting CADD model allows for the study of 2d problems involving large numbers of defects where the system size is too big for fully atomistic simulation, and improves upon existing discrete dislocation techniques by preserving accurate atomistic details of dislocation nucleation and other atomic scale phenomena. Applications to nanoindentation, atomic scale void growth under tensile stress, and fracture are used to validate and demonstrate the capabilities of the model.     

非线性复合材料杂交应力有限元的有效迭代方法

推导了面内剪应力应变关系非线性的复合材料的杂交应力有限元列式,给出了位移迭代和应力迭代的策略和步骤．提出一种非线性应力场迭代格式的改进方案,不仅提高了收敛速度,而且克服了大载荷下简单迭代法循环迭代而无法收敛的关键问题,使得所提出的非线性杂交应力元方法几乎对任意大载荷都能够收敛．数值算例表明该方法是确实可行的．