CuAlNi单晶应力诱发马氏体相变与微结构演化的实验观察与分析

基于CuAlNi形状记忆合金单晶的一维准静态拉伸实验,着重研究相变过程中条带状马氏体的微观结构.通过金相显微镜对整个试样表面进行拍照,并利用图像处理技术和均匀化的方法,提取到了不同载荷下马氏体的含量(相分量)和条带的数量(界面数)在试样各处的分布与变化情况,找到了加载和卸载过程中相变微结构的演化规律,从而实现了对条带状马氏体相变微结构的量化处理.     

梯度纳米晶NiTi形状记忆合金的超弹性和形状记忆效应相场模拟

通过建立考虑两个马氏体变体的二维相场模型,对梯度纳米晶镍钛(NiTi)合金系统的超弹性、单程和应力辅助双程形状记忆过程进行了模拟和预测.模拟结果显示: 在梯度纳米晶NiTi合金的超弹性过程中,较粗晶粒的区域保留了传统粗晶的马氏体相变和逆相变特征,即局部马氏体带的形核-扩展和缩减-消失, 而随着晶粒尺寸的减小,细晶粒区域表现为均匀相变的特点, 即无局部马氏体带产生; 此外,在超弹性和形状记忆过程中,马氏体相变和重取向都首先在较粗晶粒区域开始并逐步向细晶粒区域传播,而逆相变则相反.马氏体相变和重取向的逐步扩展使梯度纳米晶NiTi合金的应力-应变和应变-温度曲线呈现出“硬化状”,其可归因于纳米多晶NiTi合金中马氏体相变对晶粒尺寸的依赖性,即随着晶粒尺寸的减小, 相变或重取向壁垒逐渐增大,马氏体相变或重取向的形核、扩展越来越困难. 可见,梯度纳米晶结构具有比传统均匀晶粒尺寸NiTi合金更宽的相变应力区间、重取向应力区间和相变温度区间,可显著提高该合金非弹性变形的可控性.      

应力作用下NiTi形状记忆合金微结构演化的相场模拟及其本征应变率敏感性

基于Ginzburg-Landau动力学控制方程建立了NiTi形状记忆合金非等温相场模型,实现了对NiTi合金内应力诱导马氏体相变的数值模拟。同时将晶界能密度引入系统局部自由能密度,从而考虑多晶系统中晶界的重要作用。数值计算了单晶和多晶NiTi形状记忆合金在单轴机械载荷作用下微结构的动态演化过程和宏观力学行为,并重点研究了晶粒尺寸为60 nm的NiTi纳米多晶在低应变率下（0.0005～15 s?1）力学行为的本征应变率敏感性。研究结果表明,单晶NiTi合金系统高温拉伸-卸载过程中马氏体相变均匀发生,未形成奥氏体-马氏体界面。而纳米多晶系统在加载阶段出现了马氏体带的形成-扩展现象,在卸载阶段出现了马氏体带的收缩-消失现象。相同外载作用过程中,NiTi单晶系统的宏观应力-应变曲线具有更大的滞回环面积,拥有更优的超弹性变形能力。计算结果显示,在中低应变率下纳米晶NiTi形状记忆合金应力-应变关系表现出较明显的应变率相关性,应变率升高导致材料相变应力提升。这一应变率相关性主要源于相场模型中外加载荷速率与马氏体空间演化速度的相互竞争关系。     

具有层状微观结构的NiTi单晶本构模型

建立了应力诱发的具有层状微观结构的NiTi单晶本构模型. 模型考虑母相和马氏体相弹性各向异性性质的差异, 以NiTi单晶相变过程中可能出现的24个马氏体变体为基础, 利用相变驱动力和理想界面的连续条件推导了马氏体相变的发生及发展过程, 以及单晶相变过程中宏微观应力应变的演化, 数值模拟了在不同加载方向材料的应力应变响应.结果表明, 对于不同的加载方向, NiTi单晶既存在强化也存在软化现象.      

动态冲击下铝板中不同深度空洞演化的有限元分析

通过建立样品厚度为飞片厚度2倍的铝板撞击有限元模型,采用Johnson-Cook本构方程研究了纯铝材料中不同深度空洞的演化过程.研究结果表明:微空洞从杂质周围形核并呈近球形长大;由于靶板不同深度拉伸应力的峰值以及加载持续时间不同,空洞的长大速率与其在靶板的位置有关;由于冲击过程中没有形成三向拉应力,材料表面的空洞长大速度为零;靶板中间层位置首先出现拉伸应力,最先开始长大,靶板中间层位置的三向拉应力最大且作用时间较长,空洞长大速度最快;从靶板中间往两表面的方向,空洞依次开始长大,长大速度逐渐减小;模拟结果与实验观察结果相符,为研究动态冲击下空洞的演化提供参考.     

马氏体相变过程中形核、失稳及多界面微结构的动力学模拟

材料发生相变的过程中会出现失稳、滞后回线及多界面的微结构等复杂现象，而稳定性的丧失使其动力学方程的求解十分困难。对于形状记忆合金中的马氏体相变，相变过程中材料的等效杨氏模量变为负值，使得传统的动力学方程成为病态的，无法直接求解，必须要进行正则化。而相变的滞后回线与微结构的出现也说明经典的弹性理论不再适用，必须要引入新的能量项以能刻画这些现象。本文在非线性弹性理论的框架下，引入应变梯度界面能和位移非均匀能，利用变分原理建立了材料相变的一维动力学模型。高阶项的引入极大地改善了方程的性质，使数值求解成为可能。计算结果表明，该模型确能较有效地描述相变时的失稳与微结构。     

纳米单晶NiTi合金单程形状记忆效应的分子动力学模拟

采用基于第二近邻修正型嵌入原子势的分子动力学方法研究了纳米单晶NiTi合金的单程形状记忆效应,详细阐明了温度诱发马氏体相变和应力诱发马氏体重定向过程中纳米单晶的变形行为和微结构演化,进一步分析了加/卸载速率对NiTi合金单程形状记忆效应的影响。结果表明,NiTi纳米单晶在应力加载过程中发生马氏体重定向,卸载后存在残余应变;当加热到奥氏体转变结束温度以上时,马氏体逆相变为奥氏体相,残余应变逐渐减小,但未完全回复;随着应力加载速率的增加,重定向临界应力和模量逐渐增加;再次降温过程中不同加载速率下的原子结构演化各不相同。     

纳米单晶NiTi合金单程形状记忆效应的分子动力学模拟

采用基于第二近邻修正型嵌入原子势的分子动力学方法研究了纳米单晶NiTi合金的单程形状记忆效应，详细阐明了温度诱发马氏体相变和应力诱发马氏体重定向过程中纳米单晶的变形行为和微结构演化，进一步分析了加/卸载速率对NiTi合金单程形状记忆效应的影响。结果表明，NiTi纳米单晶在应力加载过程中发生马氏体重定向，卸载后存在残余应变；当加热到奥氏体转变结束温度以上时，马氏体逆相变为奥氏体相，残余应变逐渐减小，但未完全回复；随着应力加载速率的增加，重定向临界应力和模量逐渐增加；再次降温过程中不同加载速率下的原子结构演化各不相同。     

热弹性马氏体相变连续介质热力学研究

介绍形状记忆合金热弹性马氏体相变连续介质热力学研究方法和最新进展, 着重分析了在推广的非线性弹性力学的框架下, 应用变分方法研究热弹性马氏体相变的理论和方法、存在的问题及发展趋势. 首先介绍如何计算马氏体相变24种变体的变形梯度, 然后拓展非线性弹性力学, 引入描述相变的多阱非凸弹性势能, 进而讨论了界面能和非局部能对相变微结构和相变过程的影响的相关研究理论方法和进展.      

核燃料裂变气体辐照肿胀的相场模拟与分析

采用修正的Cahn-Hilliard方程研究辐照下核材料中气泡微结构演化过程,采用基于经典形核理论的形核算法模拟空洞形核过程,分析微结构对核材料力学性质的影响,着重考察了气体辐照肿胀应变的演化规律．分析了不同辐照强度下气泡密度和气体辐肿胀应变的演化规律,并与实验结果进行对比．     

CHARACTERISTICS OF STRESS-INDUCED TRANSFORMATION AND MICROSTRUCTURE EVOLUTION IN Cu-BASED SMA

The mechanical behavior of shape memory alloys （SMAs） is closely related to the formation and evolution of its microstructures. Through theoretical analysis and experimental observations, it was found that the stress-induced martensitic transformation process of single crystal Cu-based SMA under uniaxial tension condition consisted of three periods： nucleation, mixed nucleation and growth, and merging due to growth. During the nucleation, the stress dropped rapidly and the number of interfaces increased very fast while the phase fraction increased slowly. In the second period, both the stress and the interface number changed slightly but the phase fraction increased dramatically. Finally, the stress and the phase fraction changed slowly while the number of interfaces decreased quickly. Moreover, it was found that the transformation could be of multi-stage： sharp stress drops at several strains and correspondingly, the nucleation and growth process occurred quasi-independently in several parts of the sample.     

Temperature evolution associated with phase transition from quasi static to dynamic loading

Thermo-mechanical coupling is an intrinsic property of first order martensitic transformation. In this paper, we study the temperature evolution during phase transition at a wider strain rates from quasi static to impact loading to reveal the thermodynamic nature of the strain rate effect of phase transition materials. Based on the laws of thermodynamics and the principle of maximum dissipated energy, a thermal-mechanically coupled model was proposed. The model shows that, in the quasi static case, the temperature profile grades around the moving phase boundary, while for the dynamic case, thermal response of the specimen can be reached homogeneously due to random nucleation. The predicted results of the model are in good agreement with the experimental results, suggesting that the interaction between the self-heating effect and the temperature dependence of phase transition behavior plays a leading role in the process of the transformation deformation mechanism associated with the loading rate.

     

A phase field approach for multivariant martensitic transformations of stable and metastable phases

A phase field model approach for multivariant martensitic transformations of stable and metastable phases is introduced. The evolution of the microstructure is examined with respect to elastic energy minimization in which one or two martensitic orientation variants are considered. In this context, the martensitic nucleation behavior is simulated for different activation barriers. Furthermore, the influence of time-dependent external loads on the formation of the different phases is studied. The numerical implementation is performed with finite elements and an implicit time integration scheme.     

纳米晶钽在单向拉伸载荷下的分子动力学模拟

利用分子动力学方法模拟了纳米晶钽在单轴拉伸载荷作用下的微观结构演化情况. 结果表明纳米晶钽在塑性变形过程中可以发生从BCC到FCC, HCP结构的应力诱导相变. FCC 结构原子百分比的最大值和试样的抗拉强度成线性关系，据此可推出一个相变发生的临界应 力值. 应变率越大，相变滞后于应力越严重. 当应变达到一定值时，试样会发生晶间断裂现 象，定量分析发现纳米晶钽晶间裂纹初始形成应变不受平均晶粒尺寸的影响，而与应变率和 模拟温度有着密切的关系.     

Phase field simulation of heterogeneous cubic → tetragonal martensite nucleation

The mechanisms for heterogeneous cubic → tetragonal martensite nucleation due to different types of microscopic defects (voids, stress-concentration site, inertial inclusion and pre-existing nucleus) and the temporal evolution of martensite morphology are monitored with finite element simulation of phase filed model. The results demonstrate that the nucleation prefers to occur around void and stress-concentration site initially; high residual stress exists around inertial inclusion; pre-existing nucleus promotes nearby martensite phase to develop on it. The effects of various defects on heterogeneous nucleation are different, and stress relaxation behavior is the dominant factor which characterizes the whole microstructure evolution process.     

Finite element simulations of martensitic phase transitions and microstructures based on a strain softening model

A new approach for modeling multivariant martensitic phase transitions (PT) and martensitic microstructure (MM) in elastic materials is proposed. It is based on a thermomechanical model for PT that includes strain softening and the corresponding strain localization during PT. Mesh sensitivity in numerical simulations is avoided by using rate-dependent constitutive equations in the model. Due to strain softening, a microstructure comprised of pure martensitic and austenitic domains separated by narrow transition zones is obtained as the solution of the corresponding boundary value problem. In contrast to Landau-Ginzburg models, which are limited in practice to nanoscale specimens, this new phase field model is valid for scales greater than 100 nm and without upper bound. A finite element algorithm for the solution of elastic problems with multivariant martensitic PT is developed and implemented into the software ABAQUS. Simulated microstructures in elastic single crystals and polycrystals under uniaxial loading are in qualitative agreement with those observed experimentally.     

Microstructural modeling of crack nucleation and propagation in high strength martensitic steels

A dislocation-density based multiple-slip crystalline plasticity formulation, a dislocation-density grain boundary (GB) interaction scheme, and an overlapping fracture method were used to investigate crack nucleation and propagation in martensitic steel with retained austenite for both quasi-static and dynamic loading conditions. The formulation accounts for variant morphologies, orientation relationships, and retained austenite that are uniquely inherent to lath martensitic microstructures. The interrelated effects of dislocation-density evolution ahead of crack front and the variant distribution of martensitic blocks on crack nucleation and propagation are investigated. It is shown that dislocation-density generation ahead of crack front can induce dislocation-density accumulations and plastic deformation that can blunt crack propagation. These predictions indicate that variant distribution of martensitic blocks can be optimized to mitigate and potentially inhibit material failure.