Interfacial energy and dissipation in martensitic phase transformations. Part I: Theory

A model of evolving martensitic microstructures is formulated that incorporates the interfacial energy and dissipation on three different scales corresponding to the grain boundaries attained by martensite plates, the interfaces between austenite and martensite plates, and the twin interfaces within martensite plates. Three different time scales are also considered in order to clarify the meaning of rate-independent dissipation related to instabilities at more refined temporal and spatial scales. On the slowest time scale, the process of deformation and martensitic phase transformation is investigated as being composed of segments of smooth quasi-static evolution separated by sudden jumps associated with creation or annihilation of interfaces. A general evolution rule is used in the form of minimization of the incremental energy supply to the whole compound thermodynamic system, including the rate-independent dissipation. Close relationship is shown between the evolution rule and the thermodynamic condition for stability of equilibrium, with no a priori assumption on convexity of the dissipation function. It is demonstrated that the extension of the minimum principle from the first-order rates to small but finite increments requires a separate symmetry restriction imposed on the state derivative of the dissipation function. Formulae for the dissipation associated with annihilation of interfaces are proposed that exhibit limited path-independence and satisfy that symmetry requirement. By exploiting the incremental energy minimization rule with the help of the transport theorems, local propagation conditions are derived for both planar and curved phase transformation fronts. The theory serves as a basis for the algorithm for calculation of the stress-induced evolution of martensitic microstructures along with their characteristic dimensions and related hysteresis loops in shape memory alloys; the examples are given in Part II of the paper.     

Interfacial energy and dissipation in martensitic phase transformations. Part II: Size effects in pseudoelasticity

This paper is a continuation of the Part I (H. Petryk, S. Stupkiewicz, Interfacial energy and dissipation in martensitic phase transformations. Part I: Theory. J. Mech. Phys. Solids, 2010, doi:10.1016/j.jmps.2009.11.003). A fully three-dimensional model of an evolving martensitic microstructure is examined, taking into account size effects due to the interfacial energy and also dissipation related to annihilation of interfaces. The elastic micro-strain energy at microstructured interfaces is determined with the help of finite element computations and is approximated analytically. Three interface levels are examined: of grain boundaries attained by parallel martensite plates, of interfaces between austenite and twinned martensite, and of twin interfaces within the martensite phase. Minimization of the incremental energy supply, being the sum of the increments in the free energy and dissipation of the bulk and interfacial type at all levels, is used as the evolution rule, based on the theory presented in Part I. An example of the formation and evolution of a rank-three laminated microstructure of finite characteristic dimensions in a pseudoelastic CuAlNi shape memory alloy is examined quantitatively.     

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。     

A 2D finite element based on a nonlocal constitutive model describing localization and propagation of phase transformation in shape memory alloy thin structures

Here, the effects of localization and propagation of martensitic phase transformation on the response of SMA thin structures subjected to thermo-mechanical loadings are investigated using nonlocal constitutive model in conjunction with finite element method. The governing equations are derived based on variational principle considering thermo-mechanical equilibrium and the spatial distribution of the nonlocal volume fraction of martensite during transformation. The nonlocal volume fraction of martensite is defined as a weighted average of the local volume fraction of martensite over a domain characterized by an internal length parameter. The local version of the thermo-mechanical behavior model derived from micromechanics considers the local volume fraction of martensite and the mean transformation strain. A 4-noded quadrilateral plane stress element with three degrees of freedom per node accounting for in-plane displacements and the nonlocal volume fraction of martensite is developed. Numerical simulations are conducted to bring out the influence of material and geometrical heterogeneities (perturbations/defects) on the localization and propagation of phase transformation in SMA thin structures. Also, a sensitivity analysis of the material response due to the localization and the other related model parameters is carried out. The detailed investigation done here clearly shows that the localization of phase transformation has significant effect on the response of shape memory alloys.     

Mesoscale kinetics produces martensitic microstructure

We present molecular dynamics (MD) simulations of a martensitic phase transformation studying post-transformation microstructure and moving austenite-martensite interfaces. Unlike in energy-minimisation theories, the transformation dynamics dominate the martensite morphology. We use a binary Lennard-Jones potential to describe a square-to-hexagonal transformation by shear-and-shuffle. The high-T stable square lattice and low-T hexagonal lattice represent austenite and martensite, giving four martensitic variants. Compatible twin variants have no lattice misfit and zero interfacial energies which makes our model directly comparable with the crystallographic theory of martensite. Although our dynamical interpretation is different to previous work, our MD simulations exhibit very similar martensitic morphologies to real materials. We observe the nucleation of wedge-shaped, twinned martensite plates, plate growth at narrow, travelling transformation zones, subsonic transformation waves, elastic precursors inducing secondary nucleations and the formation of martensitic domains. Martensite is produced within narrow transformation zones where atoms change their lattice sites in a co-operative manner so as to form crystallographic layers. These motions produce inertia forces on the mesoscopic length-scale which induce the formation of twin variants in the subsequent layers to transform.     

Martensite Strain Memory in the Shape Memory Alloy Nickel-Titanium Under Mechanical Cycling

This paper describes an experimental study of stress-induced martensitic phase transformation in the SMA Nickel-Titanium. The rich local thermo-mechanical interactions that underlie transformation are examined using three-dimensional Digital Image Correlation (strain fields) and infrared imaging (thermal fields). We quantify the complex local interactions between released/absorbed latent heat and the extent of transformation, and explore the characteristics of the phase fronts and the evolution of martensitic volume fraction. We also quantify a strong strain memory in the martensite that forms in the wake of the phase transformation front. The accommodated strain in the martensite will remain constant during loading, even as the existing phase front propagates. There also exists a remarkable strain memory in the martensite that persists from cycle to cycle, indicating that the local elastic stress fields in the martensite are driven by a dislocation structure and martensitic nuclei that largely stabilize during the first loading cycle.     

NiTi形状记忆合金裂纹尖端热力耦合行为研究

本文对NiTi形状记忆合金I型裂纹尖端热力耦合行为进行了数值仿真分析和实验验证。建立了包含相变和热力耦合的本构模型,通过有限元计算得到了裂纹尖端附近的纵向应变、马氏体体积分数和温度场分布,依据马氏体相变情况对裂纹尖端有效应力强度因子进行了修正,揭示了加载速率对形状记忆合金裂纹尖端有效应力强度影子的影响规律。参数研究表明,随着加载频率的增加,裂纹尖端附近温度逐渐升高,马氏体相变区域逐渐缩小,有效应力强度因子呈下降趋势,形状记忆合金表现出增韧效应,有助于减缓裂纹扩展。本研究结果对于揭示热力耦合作用下超弹性形状记忆合金疲劳裂纹扩展规律具有重要参考意义。     

Modelling of localization and propagation of phase transformation in superelastic SMA by a gradient nonlocal approach

In this work, a nonlocal phenomenological behavior model is proposed in order to describe the localization and propagation of stress-induced martensite transformation in shape memory alloy (SMA) wires and thin films. It is a nonlocal extension of an existing local model that was derived from a micromechanical-inspired Gibbs free energy expression. The proposed model uses, besides the local field of the internal variable, namely the martensite volume fraction, a nonlocal counterpart. This latter acts as an additional degree of freedom, which is determined by solving an additional partial differential equation (PDE), derived so as to be equivalent to the integral definition of a nonlocal quantity. This PDE involves an internal length parameter, dictating the global scale at which the nonlocal interactions of the underlying micromechanisms are manifested during phase transformation. Moreover, to account for the unstable softening behavior, the transformation yield force parameter is considered as a gradually decreasing function of the martensite fraction. Possible material and geometric imperfections that are responsible for localization initiation are also considered in this analysis. The obtained constitutive equations are implemented in the Abaqus® finite element code in one and two dimensions. This requires the development of specific finite elements having the nonlocal volume fraction variable as an additional degree of freedom. This implementation is achieved through the UEL user’s subroutine. The effect of martensitic localization on the superelastic global behavior of SMA wire and holed thin plate, subjected to tension loading, is analyzed. Numerical results show that the developed tool correctly captures the commonly observed unstable superelastic behavior characterized by nucleation and propagation of martensitic phase. In particular, they show the influence of the internal length parameter, appearing in the nonlocal model, on the size of the localization area and the stress nucleation peak.     

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.     

A thermodynamical constitutive model for shape memory materials. Part I. The monolithic shape memory alloy

Pseudoelasticity and the shape memory effect (SME) due to martensitic transformation and reorientation of polycrystalline shape memory alloy (SMA) materials are modeled using a free energy function and a dissipation potential. Three different cases are considered, based on the number of internal state variables in the free energy: (1) austenite plus a variable number of martensite variants; (2) austenite plus two types of martensite; and (3) austenite and one type of martensite. Each model accounts for three-dimensional simultaneous transformation and reorientation. The single-martensite model was chosen for detailed study because of its simplicity and its ease of experimental verification. Closed form equations are derived for the damping capacity and the actuator efficiency of converting heat into work. The first law of thermodynamics is used to demonstrate that significantly more work is required to complete the adiabatic transformation than the isothermal transformation. Also, as the hardening due to the austenite/martensite misfit stresses approaches zero, the transformation approaches the isothermal, infinite specific heat conditions of a first-order transformation. In a second paper, the single-martensite model is used in a mesomechanical derivation of the constitutive equations of an active composite with an SMA phase.     

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.     

On the Three Phase Mixtures in Martensitic Transformations of Shape Memory Alloys: Thermodynamical Modeling and Characteristic Temperatures

We study here the thermally-induced martensitic transformation process of shape memory alloys. Taking the internal energy of phase mixtures as the potential function and introducing coherency energies between martensite and austenite and between different variants of the martensitic phase, we are able to use thermodynamical arguments to obtain hysteresis diagrams which could be measured experimentally. The characteristic temperatures for martensitic transformation, (martensite start and finish) and (austenite start and finish) can be identified explicitly and are closely related to the coherency parameters of the coherency energies. Received September 12, 1997     

马氏体相变微结构演化过程的模拟与分析

实验中观察到形状记忆合金在应力诱发马氏体相变过程中,出现多界面的微结构,马氏体相会逐渐长大变粗,同时会出现由马氏体形核造成的应力突然降低.用多阱的弹性能函数来刻画此相变与微结构演化过程,发现相变时会出现多界面的微结构且伴随着马氏体相的形核至奥氏体相的消失过程,出现了界面数先增后减的变化,同时应力会出现跳跃而不连续.相对应的动力学模型的有限差分的计算结果同样显示形核时出现了多界面的微结构并伴随着应力的大幅振荡,随着载荷的增加界面位置随之移动,使得马氏体相区域逐渐长大.理论分析与数值模拟的结果较好地刻画了实验中观察到的马氏体相变过程中的形核,产生多界面,再到马氏体逐渐长大这一微结构的演化过程.     

Modelling of laminated microstructures in stress-induced martensitic transformations

This paper is concerned with micromechanical modelling of stress-induced martensitic transformations in crystalline solids, with the focus on distinct elastic anisotropy of the phases and the associated redistribution of internal stresses. Micro-macro transition in stresses and strains is analysed for a laminated microstructure of austenite and martensite phases. Propagation of a phase transformation front is governed by a time-independent thermodynamic criterion. Plasticity-like macroscopic constitutive rate equations are derived in which the transformed volume fraction is incrementally related to the overall strain or stress. As an application, numerical simulations are performed for cubic β₁ (austenite) to orthorhombic γ₁′ (martensite) phase transformation in a single crystal of Cu-Al-Ni shape memory alloy. The pseudoelasticity effect in tension and compression is investigated along with the corresponding evolution of internal stresses and microstructure.     

Coupling between martensitic phase transformations and plasticity: A microstructure-based finite element model

A microstructural finite element (MFE) model is developed to capture the interaction between martensitic transformations and plasticity in NiTi shape memory alloys (SMAs). The interaction is modeled through the grain-to-grain redistribution of stress caused by both plasticity and phase transformation, so that each mechanism affects the driving force of the other. A unique feature is that both processes are modeled at a crystallographic level and are allowed to operate simultaneously. The model is calibrated to pseudoelastic data for select single crystals of Ti–50.9at.%Ni. For polycrystals, plasticity is predicted to enhance the overall martensite volume fraction at a given applied stress. Upon unloading, residual stress can induce remnant (retained) martensite. For thermal cycling under load bias, plasticity is observed to limit the net transformation strain/cycle and increase the hysteretic width. Deformation processing, via plastic pre-straining at elevated temperature, is shown to dramatically alter subsequent pseudoelastic response, as well as induce two-way shape memory behavior during no-load thermal cycling. Overall, the model is suitable at smaller imposed strains, where martensite detwinning is not expected to dominate.     

About modelling the shape memory alloy behaviour based on the phase transformation surface identification under proportional loading and anisothermal conditions

Based on the experimental identification of the phase transformation surface, a modelling of shape memory alloys anisothermal behaviour is proposed. Within the framework of the thermodynamics of irreversible processes, two internal variables are chosen: the stress-induced martensite volume fraction and the self-accommodating martensite volume fraction. A special attention is paid to take into account the asymmetry between tension and compression behaviours.     

A thermodynamical constitutive model for shape memory materials. Part II. The SMA composite material

The phenomenological SMA equations developed in Part I are used in this second paper to derive the free energy and dissipation of a SMA composite material. The derivation consists of solving a boundary value problem formulated over a mesoscale representative volume element, followed by an averaging procedure to obtain the macroscopic composite constitutive equations. Explicit equations are derived for the transformation tensors that relate the composite transformation strain rate to the phase transformation rate in the fiber and matrix. Some key findings for the two-way SME in a SMA fiber/elastomer matrix composite are that processing-induced residual stresses alter the composite austenite start and martensite start temperatures, as well as the amount of composite strain recovered during a complete cycle of temperature and fiber martensite volume fraction. Relative to the two-way SME response of stiff-matrix composites, it was found that compliant-matrix composites: (1) complete the phase transformation over a narrower temperature range; (2) exhibit greater transformation strain during the reverse transformation; and (3) undergo an incomplete strain cycle during a complete cycle of temperature and fiber martensite volume fraction. Due to the interaction of the fiber and matrix during transformation, macroscopic proportional stressing of the composite results in non-proportional fiber stressing, which in turn causes a small amount of martensitic reorientation to occur simultaneously with the transformation.     

Instability of equilibrium of evolving laminates in pseudo-elastic solids

This study is concerned with isothermal stability of equilibrium of evolving laminated microstructures in pseudo-elastic solids with a multi-well free energy function. Several possible modes of instability associated with phase transition between energy wells are analysed. The related rate-independent dissipation is included by imposing a threshold value on the thermodynamic driving force. For a homogenized phase-transforming laminate with no length scale it is shown that localization instability is a rule in case of a non-zero interfacial jump of a directional nominal stress, irrespectively of actual boundary conditions. A stabilizing effect of elastic micro-strain energy at the boundary of the localization zone is demonstrated for laminates of finite spacing. Illustrative numerical examples are given for an evolving austenite–martensite laminate in a crystal of CuZnAl shape memory alloy.     

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（0.000 5～15 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。