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.     

Size effects in martensitic microstructures: Finite-strain phase field model versus sharp-interface approach

A finite-strain phase field model for martensitic phase transformation and twinning in shape memory alloys is developed and confronted with the corresponding sharp-interface approach extended to interfacial energy effects. The model is set in the energy framework so that the kinetic equations and conditions of mechanical equilibrium are fully defined by specifying the free energy and dissipation potentials. The free energy density involves the bulk and interfacial energy contributions, the latter describing the energy of diffuse interfaces in a manner typical for phase-field approaches. To ensure volume preservation during martensite reorientation at finite deformation within a diffuse interface, it is proposed to apply linear mixing of the logarithmic transformation strains. The physically different nature of phase interfaces and twin boundaries in the martensitic phase is reflected by introducing two order-parameters in a hierarchical manner, one as the reference volume fraction of austenite, and thus of the whole martensite, and the second as the volume fraction of one variant of martensite in the martensitic phase only. The microstructure evolution problem is given a variational formulation in terms of incremental fields of displacement and order parameters, with unilateral constraints on volume fractions explicitly enforced by applying the augmented Lagrangian method. As an application, size-dependent microstructures with diffuse interfaces are calculated for the cubic-to-orthorhombic transformation in a CuAlNi shape memory alloy and compared with the sharp-interface microstructures with interfacial energy effects.     

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.     

A multiscale thermomechanical model for cubic to tetragonal martensitic phase transformations

We develop a multiscale thermomechanical model to analyze martensitic phase transformations from a cubic crystalline lattice to a tetragonal crystalline lattice. The model is intended for simulating the thermomechanical response of single-crystal grains of austenite. Based on the geometrically nonlinear theory of martensitic transformations, we incorporate microstructural effects from several subgrain length scales. The effective stiffness tensor at the grain level is obtained through an averaging scheme, and preserves crystallographic information from the lattice scale as well as the influence of volumetric changes due to the transformation. The model further incorporates a transformation criterion that includes a surface energy term, which takes into account the creation of interfaces between martensite and austenite. These effects, which are often neglected in martensitic transformation models, thus appear explicitly in the expression of the transformation driving force that controls the onset and evolution of the transformation. In the derivation of the transformation driving force, we clarify the relations between different combinations of thermodynamic potentials and state variables. The predictions of the model are illustrated by analyzing the response of a phase-changing material subjected to various types of deformations. Although the model is developed for cubic to tetragonal transformations, it can be adapted to simulate martensitic transformations for other crystalline structures.     

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。     

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.     

Numerical investigation of the interaction between the martensitic transformation front and the plastic strain in austenite

Phase-field simulations of the martensitic transformation (MT) in an austenitic matrix which has already undergone the plastic deformation are carried out. For this purpose the elasto-plastic phase-field approach of incoherent MT developed in a previous work [Kundin et al., 2011. A phase-field model for incoherent martensitic transformations including plastic accommodation processes in the austenite. J. Mech. Phys. Solids 59, 2082–2012] is used. The evolution equation for the dislocation density field is extended by taking into account the thermal and athermal annihilation of the dislocations in the austenitic matrix and the athermal annihilation at the transformation front. It is shown that the plastic deformation in the austenite caused by the MT interacts with the dislocation field and the MT front that leads to an inhomogeneous increasing of the total dislocation density. During the phase transformation one part of the dislocations in the austenite is inherited by the martensitic phase and this inheritance depends on the kinetics and the crystallography of MT. Another part of dislocations annihilates at the transformation front and decreases the dislocation density in the growing martensite. Based on the simulation results the specific type of phenomenological dependency between the inherited dislocations, the martensite phase fraction and the plastic deformation is proposed.     

Microstructure in a Cubic to Orthorhombic Transition

Microstructures for a cubic to orthorhombic transition are constructed using a geometrically nonlinear, thermoelastic theory of martensitic transformations. Such microstructures are of interest because they provide low energy paths along which a specimen can transform. The particular microstructures considered are the twinned martensite, austenite–martensite, wedge, triangle, and diamond. More specifically, all possible twins are found along with the corresponding twinning elements and magnitude of the twin shear. Further, two kinds of austenite–martensite microstructures are studied: those with a single variant of martensite and those with twinned martensite. The regions in the space of transformation stretches in which each of these microstructures exist are determined, and the shape strains and habit plane normals are found as well. In addition, special microstructures, the wedge, triangle, and diamond, are constructed with both the austenite-single variant and austenite-twinned martensite microstructures. These special microstructures are of interest because they provide a mechanism through which the transformation may proceed more easily, and they are possible only in alloys with particular transformation stretches. Numerically computed level curves in the space of the stretches are presented on which the special microstructures are possible. These results may be useful in providing guidelines for alloy design.     

Modelling and numerical simulation of martensitic transformation in shape memory alloys

We consider the evolution of martensitic fine structures in shape memory alloys which undergo an isothermal phase-transformation. This process is modelled on a microscopical, continuum-mechanical level by partial differential equations. Here a homogeneous degree-1 dissipation potential is involved which can reflect specific energies needed for rate-independent phase transformations. An interface energy is incorporated by a nonlocal term, and hard-device loading is considered. After setting up the model and specifying its energy balance properties, three-dimensional numerical experiments for the cubic-to-tetragonal transformation in an InTl single crystal are presented which demonstrate geometrical/material interactions under tensile and shear loading.Received: 27 June 2002, Accepted: 18 March 2003, Published online: 27 June 2003PACS: 81.30Kf     

Analysis of material instabilities in inelastic solids by incremental energy minimization and relaxation methods: evolving deformation microstructures in finite plasticity

We propose an approach to the definition and analysis of material instabilities in rate-independent standard dissipative solids at finite strains based on finite-step-sized incremental energy minimization principles. The point of departure is a recently developed constitutive minimization principle for standard dissipative materials that optimizes a generalized incremental work function with respect to the internal variables. In an incremental setting at finite time steps this variational problem defines a quasi-hyperelastic stress potential. The existence of this potential allows to be recast a typical incremental boundary-value problem of quasi-static inelasticity into a principle of minimum incremental energy for standard dissipative solids. Mathematical existence theorems for sufficiently regular minimizers then induce a definition of the material stability of the inelastic material response in terms of the sequentially weakly lower semicontinuity of the incremental variational functional. As a consequence, the incremental material stability of standard dissipative solids may be defined in terms of the quasi-convexity or the rank-one convexity of the incremental stress potential. This global definition includes the classical local Hadamard condition but is more general. Furthermore, the variational setting opens up the possibility to analyze the post-critical development of deformation microstructures in non-stable inelastic materials based on energy relaxation methods. We outline minimization principles of quasi- and rank-one convexifications of incremental non-convex stress potentials for standard dissipative solids. The general concepts are applied to the analysis of evolving deformation microstructures in single-slip plasticity. For this canonical model problem, we outline details of the constitutive variational formulation and develop numerical and semi-analytical solution methods for a first-level rank-one convexification. A set of representative numerical investigations analyze the development of deformation microstructures in the form of rank-one laminates in single slip plasticity for homogeneous macro-deformation modes as well as inhomogeneous macroscopic boundary-value problems. The well-posedness of the relaxed variational formulation is indicated by an independence of typical finite element solutions on the mesh-size.     

Analysis of grain size effects on transformation-induced plasticity based on a discrete dislocation-transformation model

There is much interest recently in the possibility of combining two strengthening effects, namely the reduction of grain size (Hall-Petch effect) and the transformation-induced plasticity effect (strengthening due to a martensitic transformation). The present work is concerned with the analysis of the combination of these two effects using a discrete dislocation-transformation model. The transformation-induced plasticity mechanism is studied for aggregates of grains of ferrite and austenite of different sizes. The discrete model allows to simulate the behavior at sub-grain length scales, capturing the complex interaction between pile-ups at grain boundaries and the evolution of the microstructure due to transformation. The simulations indicate that, as the average grain size decreases, the relative strengthening due to the formation of martensite is significantly reduced and that the overall strengthening is mostly due to a Hall-Petch effect. This finding suggests that strengthening by the transformation-induced plasticity mechanism is ineffective in the presence of fine-grained microstructures.     

A Variational Formulation of¶Rate-Independent Phase Transformations¶Using an Extremum Principle

We propose a rate-independent, mesoscopic model for the hysteretic evolution of phase transformations in shape-memory alloys. The model uses the deformation and phase-indicator function as basic unknowns and the potentials for the elastic energy and for the dissipation as constitutive laws. Using the associated functionals, admissible processes are defined to be the ones which are stable at all times and which satisfy the energy inequality.This concept leads to a natural time-incremental method which consists in a minimization problem. The mesoscopic model is obtained by a relaxation procedure. It leads to new functionals involving the cross-quasiconvexification of the elastic stored-energy density. For a special case involving two phases of linearized elastic materials we show that the incremental problem provides existence of admissible processes for the time-continuous problem, if we let the time-step go to 0. Dedicated to Erwin Stein on the occasion of his seventiethbirthday     

A two-level micromechanical theory for a shape-memory alloy reinforced composite

A two-level micromechanical theory is developed to study the influence of the shape and volume concentration of shape-memory alloy (SMA) inclusions on the overall stress–strain behavior of a SMA-reinforced composite. The first level exists on the smaller SMA level, in which, under the action of stress, parent austenite may transform into martensite. The second level is on the larger scale consisting of the metastable SMA inclusions and an inactive polymer matrix. The evolution of martensite microstructure is evaluated from the irreversible thermodynamics, in conjunction with the micromechanics and physics of martensitic transformation. By taking martensite to exist in the form of thin plates on the micro scale and assuming SMA inclusions to be homogeneously aligned spheroids on the macro scale, the overall stress–strain behaviors of a NiTi-reinforced composite are calculated for various SMA shapes and concentrations. The results indicate that, under a tensile axial loading, martensitic transformation is easier to take place when SMA inclusions exist in the form of long fibers, but most difficult to occur when they are in the form of flat discs. In general the levels of the applied stress at which martensite transformation commences, finishes, and austenitic transformation starts, and finishes, are found to decrease with increasing aspect ratio of the SMA inclusions while the damping capacity increases with it; these properties point to the advantage of using fibrous composites for actuators or sensors under a tensile loading.     

Hysteresis in magnetic shape memory composites: Modeling and simulation

Magnetic shape memory alloys are characterized by the coupling between the reorientation of structural variants and the rearrangement of magnetic domains. This permits to control the shape change via an external magnetic field, at least in single crystals. Composite materials with single-crystalline particles embedded in a softer matrix have been proposed as a way to overcome the blocking of the reorientation at grain boundaries.We investigate hysteresis phenomena for small NiMnGa single crystals embedded in a polymer matrix for slowly varying magnetic fields. The evolution of the microstructure is studied within the rate-independent variational framework proposed by Mielke and Theil (1999). The underlying variational model incorporates linearized elasticity, micromagnetism, stray field and a dissipation term proportional to the volume swept by the twin boundary. The time discretization is based on an incremental minimization of the sum of energy and dissipation. A backtracking approach is employed to approximately ensure the global minimality condition.We illustrate and discuss the influence of the particle geometry (volume fraction, shape, arrangement) and the polymer elastic parameters on the observed hysteresis and compare with recent experimental results.     

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.     

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.     

Nonequilibrium thermodynamics of pseudoelasticity

Solid-solid phase transitions often exhibit hystereses, and a hysteresis indicates energy dissipation. Pseudoelasticity refers to a hysteretic loadingunloading characteristic observed in the stress-induced martensitic transformation of shape memory alloys.This paper describes the thermodynamic model ofideal pseudoelasticity, a largely schematized adaptation of the experimental observations, and it reviews the works of other authors on thermodynamics of pseudoelasticity. Different approaches vary widely and we have chosen to put them into perspective by contrasting their assumptions and predictions against those of ideal pseudoelasticity.Ideal pseudoelasticity receives support from the experimental results of Fu [1] and its thermodynamic properties have been exploited by Huo [2]. The model makes use of an analytical ansatz proposed by Müller [3] in which the hysteresis is assumed to be due to the presence of a coherency energy in solid phase mixtures. This model permits the study of stability of the equilibrium states and the calculation of the energy dissipation or entropy production during the phase transition: The equilibrium states of a phase mixture are found to be unstable in load-controlled processes and the dissipated energy is related to the coherency coefficient.We also discuss some open problems concerning the states inside the hysteresis loop and the formation of interfaces.     

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.