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。     

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。     

Prediction and observation of crack tip microstructure in shape memory CuAlNi single crystals

The formation of martensite at a notch tip in a CuAlNi shape memory alloy loaded in tension is studied. The geometry of the initial martensite plate to form at the notch is predicted theoretically, using the stress field at a crack tip in an anisotropic linearly elastic body together with a listing of all possible austenite-martensite interfaces from the Crystallographic Theory of Martensite (CTM). The stress field and CTM analyses are combined through a selection criterion based on computing the work available from the stress field to transform to each austenite-martensite interface. The resulting predictions are compared to experimentally observed microstructures in notched specimens of single crystal CuAlNi loaded in tension for eight notch orientations. Results show that the available work criterion accurately predicts the orientation, number and order of the austenite-martensite interfaces that initially form near a crack.     

The initiation and growth of macroscopic martensite band in nano-grained NiTi microtube under tension

The superelastic behavior of polycrystalline nano-grained NiTi shape memory alloy microtube under uniaxial tension is studied in this paper. The nominal stress–strain curve of the microtube during superelastic deformation is recorded. Both direct surface observation and observation by using a special surface coating show that the deformation of the tube is via the nucleation and propagation of macroscopic stress-induced martensite band. It is also found that the martensite nucleates in the form of a spiral lens-shaped narrow band that inclines at about 33^o to the plane of cross section of tube when the stress reaches the peak of stress–strain curve. The spiral band grew via gradual increase in both width and length of the band and finally merged into a single cylindrical band. The subsequent deformation of the tube is realized by the growth of this cylindrical martensite band. Several other deformation features of the tube are also observed and the results are discussed and compared with the theoretical analysis in this paper.     

Effect of shock–wave loading on the properties of cryogenic TiNi — a shape–memory alloy

Results of an experimental study of the shock–wave deformation of TiNi and its effect on the crystallographic structure and temperature of austenite–martensite transformations are given. It is found that, for pressures of up to 2 GPa, shock–wave loading changes the defect structure and parameters of the lattice; however, this does not lead to a noticeable change in the temperature of the austenite–martensite transformation and the manifestation of the shapeNdash;memory effect.     

Experimental investigation on macroscopic domain formation and evolution in polycrystalline NiTi microtubing under mechanical force

This paper reports the experimental results on macroscopic deformation instability and domain morphology evolution during stress-induced austenite → martensite (A→M) phase transformation in superelastic NiTi polycrystalline shape memory alloy microtubes. High-speed data and image acquisition techniques were used to investigate the dynamic and quasi-static events which took place in a displacement-controlled quasi-static tensile loading/unloading process of the tube. These events include dynamic formation, self-merging, topology transition, convoluted front motion and front instability of a macroscopic deformation domain. The reported phenomena brought up several fundamental issues regarding the roles of macroscopic domain wall energy and kinetics as well as their interplay with the bulk strain energy of the tube in the observed morphology instability and pattern evolution under a mechanical force. These issues are believed to be essential elements in the theoretical modeling of macroscopic deformation patterns in polycrystals and need systematic examination in the future.     

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...     

Molecular-dynamics of a 2D Model of the Shape Memory Effect

This work investigates the thermodynamic properties of a qualitative atomistic model for austenite–martensite transitions. The model, still in 2D, employs Lennard-Jones potentials for the determination of the atomic interactions. By use of two atom species it is possible to identify three stable lattice structures in 2D, interpreted as austenite and two variants of martensite. The model is described in the first part of the work [6] in detail. The present work studies the thermodynamic properties of the model concerning a small, 2-dimensional test assembly consisting of 41 atoms. The phase stability is investigated by exploitation of the condition of minimal free energy. The free energy is calculated from the thermal equation of state, which is measured in numerical tensile tests. In the second part of this work a chain of eleven 41-atom assemblies is investigated. The chain is interpreted as an idealized larger body, where the individual crystallites represent crystallographic layers allowing for the creation of micro structure. By use of tensile tests at various temperature conditions we sketch how such chain may exhibit quasi-plasticity, pseudo-elasticity and the shape memory effect.     

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.     

Spherical indentation of composite laminates with controlled gradients in elastic anisotropy

Three-dimensional elastic analyses and experiments of indentation of thick laminated plates of carbon fiber reinforced epoxy are presented. Pointwise, the material is characterized as a linear elastic orthotropic material. The in-plane orientation of the carbon fibers is systematically varied as a function of depth. The influence of fiber orientation as a function of depth on the indentation response is considered along with the relationship between the indenter force vs depth. The fiber orientation profiles considered are those of a continuous linear variation between 90° at the outer surfaces and 0° at the center plane of the laminate, and a cross ply laminate involving alternating 90° and 0° layers through thickness. Experimentally, it is found that for the case of a cross-ply laminate, the indentation produces delaminations localized at the interfaces that separate planes of dissimilar orientation. For this case, stress concentrations at interfaces between plies of dissimilar orientation coincide with the observed sites of delamination. For the graded case, evidence of enhanced nonlinear deformation is found, without the nucleation of cracks. Computations show that for the graded material, tensile stresses perpendicular to fibers are suppressed significantly, possibly explaining the absence of matrix cracks in this material. Measured and computed indenter force-depth variations were found to be in good agreement. Experiments and computations also reveal that the orientation-graded material is more compliant when subjected to indentation than the conventional cross-ply laminate.     

Thermodynamic description of the behavior of shape memory alloys by an additive Gibbs potential

Conditions of satisfying the dissipative inequality are found for the case where the Gibbs potential of a shape memory alloy (SMA) is assumed to be additive. The effective specific heat of the SMA is obtained as a function of temperature, strain, and strain rate in direct and reverse thermoelastic martensite transformations. A coupled one-dimensional problem of direct and reverse transformations in an SMA rod is solved. __________ Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 47, No. 4, pp. 98–103, July–August, 2006.     

High Temperature Nanoindentation of PMR-15 Polyimide

This paper presents the high temperature nanoindentation experiments performed on an aerospace polymer resin–PMR-15 polyimide. The sharp-tipped Berkovich nanoindenter equipped with a hot-stage heating system was used. The indentation experiments were performed using the “hold-at-the-peak” method at various indenter holding times and unloading rates. The creep effect was seen to decrease with increasing holding time and/or unloading rate. Procedures used to minimize the creep effect are investigated at both ambient and elevated temperatures so that the correct contact depth (together with modulus and hardness) can be determined from nanoindentation load-depth curve. The temperature dependent mechanical properties of PMR-15 are measured through the current nanoindenter and results are consistent with those obtained from macroscopic tests.     

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。     

Shape recovery behaviour of NiTi strips in bending: experiments and modelling

We present a theoretical and experimental investigation of the bending recovery performances for a commercial NiTi shape memory alloy strip. We evaluate the mechanical properties and the shape setting parameters and estimate the evolution of the curvature during heating in an Ethylene Glycol-based water solution. To model the strip bending response, we use a one-dimensional phenomenological constitutive equation for the shape memory material, based on the introduction of (twinned and detwinned) martensite and austenite volume fractions as internal variables. Under the assumption of uniform bending, we calculate a quasi-closed-form solution for the stress and martensite fraction distributions in a shape memory beam during bending and subsequent shape recovery. Using our characterisation data as input parameters of the model, we find that the theoretical curvature evolution is in good agreement with experimental data.     

Analysis of the rate-dependent coupled thermo-mechanical response of shape memory alloy bars and wires in tension

In this paper, the coupled thermo-mechanical response of shape memory alloy (SMA) bars and wires in tension is studied. By using the Gibbs free energy as the thermodynamic potential and choosing appropriate internal state variables, a three-dimensional phenomenological macroscopic constitutive model for polycrystalline SMAs is derived. Taking into account the effect of generated (absorbed) latent heat during the forward (inverse) martensitic phase transformation, the local form of the first law of thermodynamics is used to obtain the energy balance relation. The three-dimensional coupled relations for the energy balance in the presence of the internal heat flux and the constitutive equations are reduced to a one-dimensional problem. An explicit finite difference scheme is used to discretize the governing initial-boundary-value problem of bars and wires with circular cross-sections in tension. Considering several case studies for SMA wires and bars with different diameters, the effect of loading–unloading rate and different boundary conditions imposed by free and forced convections at the surface are studied. It is shown that the accuracy of assuming adiabatic or isothermal conditions in the tensile response of SMA bars strongly depends on the size and the ambient condition in addition to the rate dependency that has been known in the literature. The data of three experimental tests are used for validating the numerical results of the present formulation in predicting the stress–strain and temperature distribution for SMA bars and wires subjected to axial loading–unloading.     

CONSTITUTIVE MODELING OF ROLLED SHAPE MEMORY ALLOY SHEETS TAKING INTO ACCOUNT PRE-TEXTURE AND ANISOTROPIC HARDENING

The drawing or rolling process endows polycrystal shape memory alloy with a crys- tallographic texture, which can result in macroscopic anisotropy. The main purpose of this work is to develop a constitutive model to predict the thermomechanical behavior of shape memory alloy sheets, which accounts for the crystallographic texture. The total macroscopic strain is decom- posed into elastic strain and macro-transformation strain under isothermal condition. Considering the transformation strain in local grains and the orientation distribution function of crystallo- graphic texture, the macro-transformation strain and the effective elastic modulus of textured polycrystal shape memory alloy are developed by using tensor expressions. The kinetic equation is established to calculate the volume fraction of the martensite transformation under given stress. Furthermore, the Hill＇s quadratic model is developed for anisotropic transformation hardening of textured SMA sheets. All the calculation results are in good agreement with experimental data, which show that the present model can accurately describe the macro-anisotropic behaviors of textured shape memory alloy sheets.     

TiNi合金圆薄板的横向冲击特性实验

利用改装的霍普金森压杆装置对周边固支伪弹性TiNi合金圆薄板进行了冲击实验,初步得到了该结构在时空2个尺度上的动态力学响应的演变发展现象和规律,包括板中弯曲波的传播、相变区的演化和全场的离面位移等,并和A3钢做了对比。结果表明,由于圆板的二维扩散效应,冲击过程中仅在TiNi板中心很小区域(约5 mm)内形成相变区和相变铰,卸载后相变铰消失,钢试件则留下明显的残余变形。TiNi合金圆板的冲击特性受热弹性马氏体相变和逆相变的支配,不同于传统的弹塑性机制。     

A constrained theory for single crystal shape memory wires with application to restrained recovery

The theory of thin wires developed in Dret and Meunier (Comptes Rendus de l’Académie des Sciences. Série I. Mathématique 337:143–147, 2003) is adapted to phase-transforming materials with large elastic moduli in the sense discussed in James and Rizzoni (J Elast 59:399–436, 2000). The result is a one-dimensional constitutive model for shape memory wires, characterized by a small number of material constants. The model is used to analyze self-accommodated and detwinned microstructures and to study superelasticity. It also turns out that the model successfully reproduces the behavior of shape memory wires in experiments of restrained recovery (Tsoi et al. in Mater Sci Eng A 368:299–310, 2004; Tsoi in 50:3535–3544, 2002; S̆ittner et al. in Mater Sci Eng A 286:298–311, 2000; vokoun in Smart Mater Struct 12:680–685, 2003; Zheng and Cui in Intermetallics 12:1305–1309, 2004; Zheng et al. in J Mater Sci Technol 20(4):390–394, 2004). In particular, the model is able to predict the shift to higher transformation temperatures on heating. The model also captures the effect of prestraining on the evolution of the recovery stress and of the martensite volume fraction.     

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.