纳米金属丝拉伸破坏及其应变率效应

建立了适于研究纳米金属快速变形破坏过程的分子动力学模型,并对不同应变率工况下不同截面尺寸单晶镍纳米丝的零温单向拉伸破坏过程进行了分子动力学模拟.模拟得到各种纳米镍丝的应力-应变曲线、屈服应变、屈服强度、断裂强度和初始弹性模量,提出了纳米金属丝快速变形力学性能的应变率效应预测公式并加以验证.计算表明金属纳米丝的屈服应变与尺寸和应变率无关,屈服强度、断裂强度和弹性模量与应变率呈对数关系.     

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．     

考虑运动硬化的DD3镍基合金力学行为研究

详细介绍了镍基合金的晶体塑性本构模型,在Asaro大变形晶体塑性框架下,详细介绍了镍基合金的晶体塑性本构模型,在Asaro大变形晶体塑性框架下,引入了运动硬化规律,考虑了温度和应变率对晶体塑性变形的影响,通过针对每个滑移系考虑屈服准则和流动规律建立了晶体塑性模型. 对积分过程进行了推导,通过编写ABAQUS材料用户子程序(UMAT), 实现本构模型的有限元积分算法. 在此基础上模拟了DD3镍基单晶合金在单轴拉伸和循环载荷下的响应,并与实验数据进行了对比. 利用该模型可以很好地模拟镍基单晶所具有的各向异性特性,体现了镍基单晶在循环载荷作用下的拉-压不对称性.      

单晶有限变形的热力耦合计算模型

以弹性变形梯度作为基本变量,结合热力学理论构造了单晶有限变形的热、力耦合计算模型。该模型考虑了温度、变温速率以及塑性耗散等条件对单晶有限变形的影响,相对于传统的以弹性变形梯度为基本变量的晶体塑性模型,算法能够体现温度效应的影响。采用隐式的积分方法对建立的控制方程进行计算以保证求解过程的稳定。以1100Al单晶为例计算了不同升温、降温速率,以及不同应变率影响下的材料应力-应变的响应。结果表明,模型能较好地反映变温过程中,单晶各向异性性质的演化以及应力、应变之间关系的变化。     

有限变形下单晶变温本构模型

论文构造了单晶热弹粘塑性的本构模型,模拟材料在不同温度下的力学行为.该模型以晶体热运动学作为分析变形的基础,即考虑温度变化情况下总体变形梯度的乘式分解,建立温度影响下的以弹性变形梯度为基本变量的控制方程来描述单晶材料的变形,算法采用隐式积分方法来求解控制方程以保证计算的稳定性.模型能反映单晶材料变形过程中温度对应力-应变响应的影响.     

应变控制的热机械疲劳行为的数值模拟

根据高温合金材料的力学性能,以弹粘塑性本构模型为基础,用数值模拟方法研究材料的热机械疲劳循环特性.模型将应变分为弹性应变、温度应变和粘塑性应变三部分,认为材料在高温循环载荷下呈现明显的弹粘塑性特征.根据虚位移原理建立轴对称体的弹粘塑性计算有限元格式.对于循环机械载荷和循环温度载荷,程序中采用了增量法迭代求解,在非线性项中不仅考虑了机械载荷增量的影响,同时也考虑了温度增量的影响.根据应变控制热机械疲劳的特点,发展了应变增量法的有限元计算方法.通过数值模拟,得到材料在各种循环载荷下的应力-应变响应.数值模拟较好地反映了粘塑性变形过程以及温度变化的效应.所描述的不可逆系统在某一时刻的状态完全由当时的状态参数、内变量、承载时间及塑性应变累积量决定.对带缺口试件的模拟结果显示了程序对复杂轴对称结构进行热机械疲劳计算的有效性.     

基于晶体塑性理论研究铝材料高压高应变率下的强度特性

为了了解金属材料在极端加载下复杂动态响应过程中的多种机制和效应,重点针对Al材料在高压、高应变率加载下的塑性变形机制,在经典晶体塑性模型的基础上,对其中的非线性弹性、位错动力学和硬化形式进行改进,建立适用于高压、高应变率加载下的热弹-黏塑性晶体塑性模型。该模型可以较好地描述单晶铝和多晶铝材料屈服强度随压力的变化过程,相比宏观模型,用该模型还获得了多晶Al材料在冲击加载下的织构演化规律,揭示了织构择优取向行为和压力的关系。     

镁单晶变形行为的原子模拟

应用分子动力学方法模拟镁单晶在单向拉伸作用下的力学性能和微观结构演化过程.不同应变和不同温度下的模拟结果中都观测到{1011},{1012}型李晶.表明这两种孪晶是镁单晶拉伸变形的主要机制.其中{1012}型挛晶的产生伴随新晶粒生成,并且随应变增加孪晶的数量增加.此外,随着温度的增加,原子热激活效应显著.镁单晶的最大弹性形变减小,最大应力值亦变小.     

轴向拉伸下氮化钛纳米杆变形机制及力学性能的分子动力学研究

本文使用分子动力学软件包lammps并采用第二近邻改进型嵌入原子法(2NN MEAM)模拟了单晶氮化钛纳米杆的轴向拉伸破坏过程,分析了分别沿[100]、[111]晶向的不同截面尺寸、不同拉伸应变率、不同温度下的氮化钛纳米杆的力学性能,详细描述了氮化钛纳米杆拉伸变形过程。研究发现, 拉伸晶向、截面尺寸、拉伸应变率及温度均会对TiN纳米杆的拉伸变形过程及屈服强度、弹性模量等力学性能产生不同程度的影响。 沿[100]晶向的拉伸,截面尺寸越大,屈服强度越低;而沿[111]晶向,截面尺寸越大,屈服强度越大。应变率越大,屈服强度及屈服应变越大,但对于弹性模量几乎无影响。温度越高,材料的屈服强度、屈服应变及弹性模量越小,断裂应变越大。不同拉伸条件下的氮化钛纳米杆的拉伸过程均包括弹性变形、塑性变形与断裂阶段。[100]晶向的弹性模量都要高于[111]晶向。     

高氮奥氏体不锈钢高温动态响应特性及本构关系

在293~873 K的环境下,采用分离式霍普金森杆装置对高氮钢试样进行了102~103 s-1应变率下的动态加载实验。结合准静态实验结果,分析了应变率和温度对材料塑性流动特性的影响。结果表明:高氮钢的动态力学行为具有很强的应变率敏感性和温度敏感性。当应变率达到400 s-1或更高时,流动应力随应变率的增加显著升高;在同一应变率下,流动应力随温度的降低明显升高。研究了温度和应变率耦合效应对材料塑性行为的影响,得出温度软化效应在高氮钢高温动态塑性变形中起主导作用。基于经典的Johnson-Cook（J-C）模型,通过对实验数据的分析,得出了高氮钢材料的修正J-C本构方程,经验证修正J-C方程预测结果与实验结果吻合。     

A new integration algorithm for finite deformation of thermo-elasto-viscoplastic single crystals

An algorithm for integrating the constitutive equations in thermal framework is presented, in which the plastic deformation gradient is chosen as the integration variable. Compared with the classic algorithm, a key feature of this new approach is that it can describe the finite deformation of crystals under thermal conditions. The obtained plastic deformation gradient contains not only plastic defor- mation but also thermal effects. The governing equation for the plastic deformation gradient is obtained based on ther- mal multiplicative decomposition of the total deformation gradient. An implicit method is used to integrate this evo- lution equation to ensure stability. Single crystal 1 100 aluminum is investigated to demonstrate practical applications of the model. The effects of anisotropic properties, time step, strain rate and temperature are calculated using this integration model.     

Mesoscale plastic flow generation and development for polycrystals

The traditional yield criteria of plasticity such as Mises, Tresca, etc. make use of averaged macroparameters while mesomechanics consideration is based on the physical notion of plastic deformation mechanisms. They may involve the development of plastic shears on the surfaces and interfaces of internal structure elements involving stress concentration and relaxation. A criterion of plastic flow is proposed; it is based on the stress–strain state in a cell of computational grid as well as in the neighboring cells. An algorithm of plastic shear generation is developed for the progressive propagation of the plastic shears over the crystal. Test calculations of the crystal behavior under tension are made and the results are presented.     

Evolution of shear bands in bulk metallic glasses under dynamic loading

Shear band spacing in Zr-based bulk metallic glasses (BMGs) under dynamic loads is found to vary with position and local strain rate in the indented region. To investigate the dependence of shear band evolution characteristics on local strain rate and normal stress, a micromechanical model based on momentum diffusion is proposed. The thermo-mechanical model takes into account the normal stress dependence of yield stress, the free volume theory and the associated viscosity change within the shear band region. Temperature rise is obtained from the balance between the heat diffusion to the adjacent regions from a shear band and the heat generation due to the accumulated plastic work in a shear band. The parametric study has revealed that thermal effects play a minor role when the critical shear displacement is below 10 nm (as in nanoindentation) but become significant when the shear displacement accumulated in a shear band is of the order of hundreds of nanometers (as in uniaxial compression and in dynamic indentations). Finally, it is found that the normal stress plays a crucial role in the deformation behavior of BMGs by not only decreasing the time for shear band formation but also increasing the temperature rise significantly.     

Elliptic yield cap constitutive modeling for high porosity sandstone

Field and laboratory investigators have observed thin, tabular zones of localized compressional deformation without shear in high porosity sandstone. These ‘compaction bands’ display greatly reduced porosity, and may affect the withdrawal of fluids from reservoirs. Studies addressing band formation as a type of strain localization predict the onset of the bands in a range of constitutive parameters roughly consistent with experiments, but are highly dependent on the constitutive relation used. In particular, the hardening modulus in shear and the slope of the yield surface in a plot of shear stress versus mean compressive stress are critical to localization predictions. Previous yield cap constitutive models employed a single deformation criterion, linking hydrostatic and shear response. In this work, we propose an elliptic yield cap model employing separate inelastic deformation parameters along each axis of the ellipse. The two deformation parameters allow the proposed surface to change in aspect ratio as it deforms, and allow a negative hardening modulus in shear without a negative hydrostatic modulus. Some cases with simplified modeling are shown for illustrative purposes, followed by a comparison with existing models. The proposed model displays similar strain behavior to the other models, but predicts localization under less restrictive conditions.     

Plastic deformation modeling of AL-6XN stainless steel at low and high strain rates and temperatures using a combination of bcc and fcc mechanisms of metals

Combination of physically based constitutive models for body centered cubic (bcc) and face centered cubic (fcc) metals developed recently by the authors [Voyiadjis, G.Z., Abed, F.H., 2005. Microstructural based models for bcc and fcc metals with temperature and strain rate dependency. Mech. Mater. 37, 355–378] are used in modeling the plastic deformation of AL-6XN stainless steel over a wide range of strain rates between 0.001 and 8300 s⁻¹ at temperatures from 77 to 1000 K. The concept of thermal activation analysis as well as the dislocation interaction mechanism is used in developing the plastic flow model for both the isothermal and adiabatic plastic deformation. In addition, the experimental observations of AL-6XN conducted by Nemat-Nasser et al. [Nemat-Nasser, S., Guo, W., Kihl, D., 2001. Thermomechanical response of AL-6XN stainless steel over a wide range of strain rates and temperatures, J. Mech. Phys. Solids 49, 1823–1846] are utilized in understanding the underlying deformation mechanisms. The plastic flow is considered in the range of temperatures and strain rates where diffusion and creep are not dominant, i.e., the plastic deformation is attributed to the motion of dislocations only. The modeling of the true stress–true strain curves for AL-6XN stainless steel is achieved using the classical secant modulus for the case of unidirectional deformation. The model parameters are obtained using the experimental results of three strain rates (0.001, 0.1, and 3500 s⁻¹). Good agreement is obtained between the experimental results and the model predictions. Moreover, the independency of the present model to the experiments used in the modeling is verified by comparing the theoretical results to an independent set of experimental data at the strain rate of 8300 s⁻¹ and various initial temperatures. Good correlation is observed between the model predictions and the experimental observations.     

On the uniqueness of a rate-independent plasticity model for single crystals

This paper presents the uniqueness and existence conditions for a rate-independent plasticity model for single crystals under a general stress state. The model is based on multiple slips on three-dimensional slip systems. The uniqueness condition for the plastic slips in a single crystal with nonlinear hardening is derived using the implicit function theorem. The uniqueness condition is the non-singularity of a matrix defined by the Schmid tensors, the elasticity, and the hardening rates of the slip systems. When this matrix becomes singular, the limitations on the loading paths that can be accommodated by the active slip systems (i.e., the existence conditions) are also given explicitly. For the compatible loading paths, a particular solution is selected by requiring the solution vector to be orthogonal to the null space of the singular coefficient matrix. The paper also presents a fully implicit algorithm for the plasticity model. Numerical examples of an fcc copper single crystal under cyclic loadings (pure shear and uniaxial strain) are presented to demonstrate the main features of the algorithm.     

Inelastic constitutive equations of polycrystalline metals subjected to finite deformation part I: Effect of grain rotation

In this article, a set of inelastic constitutive equations of polycrystalline metals is derived by combining a finite deformation kinematics of single crystal component, and a shear stress-shear strain relation of slip system based on a thermoactivated motion of dislocation. Interactions among grains are incorporated by “constant deformation gradient assumption.” The forms of these equations are rather simple internal variable theory types. By using these equations, some fundamental effects of grain rotations on inelastic behaviors of polycrystalline metals in a finite deformation range under complex loading and elevated temperature conditions are demonstrated. Some comments are given on a problem of plastic spin tensor.