Multi-axial behavior of shape-memory alloys undergoing martensitic reorientation and detwinning

Recently, a rate-independent, finite-deformation-based crystal mechanics constitutive model for martensitic reorientation and detwinning in shape-memory alloys has been developed by Thamburaja [Thamburaja, P., 2005. Constitutive equations for martensitic reorientation and detwinning in shape-memory alloys. Journal of the Mechanics and Physics of Solids 53, 825–856] and implemented in the ABAQUS/Explicit [Abaqus reference manuals. 2005. Providence, RI] finite-element program. In this work, we show that the aforementioned model is able to quantitatively predict the experimental response of an initially textured and martensitic polycrystalline Ti–Ni rod under a variety of uniaxial and multi-axial stress states. By fitting the material parameters in the model to the stress–strain response in simple tension, the constitutive model predicts the stress–strain curves for experiments conducted under simple compression, torsion, proportional-loading tension–torsion, and path-change tension–torsion loading conditions to good accord. Furthermore the constitutive model also reproduces the force–displacement response for an indentation experiment to reasonable accuracy.     

A finite-deformation-based phenomenological theory for shape-memory alloys

In this work we develop a finite-deformation-based, thermo-mechanically-coupled and non-local phenomenological theory for polycrystalline shape-memory alloys (SMAs) capable of undergoing austenite ↔$\leftrightarrow$ martensite phase transformations. The constitutive model is developed in the isotropic plasticity setting using standard balance laws, thermodynamic laws and the theory of micro-force balance (Fried and Gurtin, 1994). The constitutive model is then implemented in the ABAQUS/Explicit (2009) finite-element program by writing a user-material subroutine. Material parameters in the constitutive model were fitted to a set of superelastic experiments conducted by Thamburaja and Anand (2001) on a polycrystalline rod Ti–Ni. With the material parameters calibrated, we show that the experimental stress-biased strain–temperature-cycling and shape-memory effect responses are qualitatively well-reproduced by the constitutive model and the numerical simulations. We also show the capability of our constitutive mode in studying the response of SMAs undergoing coupled thermo-mechanical loading and also multi-axial loading conditions by studying the deformation behavior of a stent unit cell.     

Constitutive equations for martensitic reorientation and detwinning in shape-memory alloys

A crystal-inelasticity-based constitutive model for martensitic reorientation and detwinning in shape-memory alloys (SMAs) has been developed from basic thermodynamics principles. The model has been implemented in a finite-element program by writing a user-material subroutine. We perform two sets of finite-element simulations to model the behavior of polycrystalline SMAs: (1) The full finite-element model where each finite element represents a collection of martensitic microstructures which originated from within an austenite single crystal, chosen from a set of crystal orientations that approximates the initial austentic crystallographic texture. The macroscopic stress-strain responses are calculated as volume averages over the entire aggregate: (2) The Taylor model (J. Inst. Metals 62 (1938) 32) where an integration point in a finite element represents a material point which consist of sets of martensitic microstructures which originated from within respective austenite single-crystals. Here the macroscopic stress-strain responses are calculated through a homogenization scheme.Experiments in tension and compression were conducted on textured polycrystalline Ti-Ni rod initially in the martensitic phase by Xie et al (Acta Mater. 46 (1998) 1989). The material parameters for the constitutive model were calibrated by fitting the tensile stress-strain response from a full finite-element calculation of a polycrystalline aggregate to the simple tension experiment. With the material parameters calibrated the predicted stress-strain curve for simple compression is in very good accord with the corresponding experiment. By comparing the simulated stress-strain response in simple tension and simple compression it is shown that the constitutive model is able to predict the observed tension-compression asymmetry exhibited by polycrystalline Ti-Ni to good accuracy. Furthermore, our calculations also show that the macroscopic stress-strain response depends strongly on the initial martensitic microstructure and crystallographic texture of the material.We also show that the Taylor model predicts the macroscopic stress-strain curves in simple tension and simple compression reasonably well. Therefore, it may be used as a relatively inexpensive computational tool for the design of components made from shape-memory materials.     

Hyperelastic model for polyacrylamide-gelatin double network shape-memory hydrogels

A shape-memory double network hydrogel consists of two polymer networks: a chemically crosslinked primary network that is responsible for the permanent shape and a physically crosslinked secondary network that is used to fix the temporary shapes. The formation/melting transition of the secondary network serves as an effective mechanism for the double network hydrogel's shape-memory effect. When the crosslinks in the secondary network are dissociated by applying an external stimulus, only the primary network is left to support the load. When the secondary network is re-formed by removing the stimulus, both the primary and secondary networks support the load. In the past, models have been developed for the constitutive behaviors of double network hydrogels, but the model of shape-memory double network hydrogels is still lacking. This work aims to build a constitutive model for the polyacrylamide-gelatin double network shape-memory hydrogel developed in our previous work. The model is first calibrated by experimental data of the double network shape-memory hydrogel under uniaxial loading and then employed to predict the shape-fixing performance of the hydrogel. The model is also implemented into a three-dimension finite element code and utilized to simulate the shape-memory behavior of the double network hydrogel with inhomogeneous deformations related to applications.

Graphic abstract

A shape-memory double network hydrogel consists of a chemically crosslinked primary network and a physically crosslinked secondary network. The formation/melting transition of the secondary network serves as an effective mechanism for the shape-memory effect of the double network hydrogel. This work built a constitutive model for the polyacrylamide-and-gelatin double network shape-memory hydrogel. The model was first calibrated by experimental data and then employed to predict the shape-fixing performance of the hydrogel. The model was also implemented into a three-dimension finite element code and utilized to simulate the shape-memory behavior of double network hydrogel in complex geometries.

     

Experimental characterization and micromechanical modeling of superelastic response of a porous NiTi shape-memory alloy

Porous shape-memory alloys are usually brittle due to the presence of various nickel-titanium intermetallic compounds that are produced in the course of most commonly used synthesizing techniques. We consider here a porous NiTi shape-memory alloy (SMA), synthesized by spark-plasma sintering, that is ductile and displays full shape-memory effects over the entire appropriate range of strains. The porosity however is only 12% but the basic synthesizing technique has potential for producing shape-memory alloys with greater porosity that still are expected to display superelasticity and shape-memory effects. The current material has been characterized experimentally using quasi-static and dynamic tests at various initial temperatures, mostly within the superelastic strain range, but also into the plastic deformation regime of the stress-induced martensite phase. To obtain a relatively constant strain rate in the high strain-rate tests, a novel pulse-shaping technique is introduced. The results of the quasi-static experiments are compared with the predictions by a model that can be used to calculate the stress-strain response of porous NiTi shape-memory alloys during the austenite-to-martensite and reverse phase transformations in uniaxial quasi-static loading and unloading at constant temperatures. In the austenite-to-martensite transformation, the porous shape-memory alloy is modeled as a three-phase composite with the parent phase (austenite) as the matrix and the product phase (martensite) and the voids as the embedded inclusions, reversing the roles of austenite and martensite during the reverse transformation from fully martensite to fully austenite phase. The criterion of the stress-induced martensitic transformation and its reversal is based on equilibrium thermodynamics, balancing the thermodynamic driving force for the phase transformation, associated with the reduction of Gibbs’ free energy, with the resistive force corresponding to the required energy to create new interface surfaces and to overcome the energy barriers posed by various microstructural obstacles. The change in Gibbs’ free energy that produces the driving thermodynamic force for phase transformation is assumed to be due to the reduction of mechanical potential energy corresponding to the applied stress, and the reduction of the chemical energy corresponding to the imposed temperature. The energy required to overcome the resistance imposed by various nano- and subnano-scale defects and like barriers, is modeled empirically, involving three constitutive constants that are then fixed based on the experimental data. Reasonably good correlation is obtained between the experimental and model predictions.     

Thermally actuated shape-memory polymers: Experiments, theory, and numerical simulations

With the aim of developing a thermo-mechanically coupled large-deformation constitutive theory and a numerical-simulation capability for modeling the response of thermally actuated shape-memory polymers, we have (i) conducted large strain compression experiments on a representative shape-memory polymer to strains of approximately unity at strain rates of 10⁻³ and 10⁻¹ s⁻¹, and at temperatures ranging from room temperature to approximately 30 °C above the glass transition temperature of the polymer; (ii) formulated a thermo-mechanically coupled large-deformation constitutive theory; (iii) calibrated the material parameters appearing in the theory using the stress-strain data from the compression experiments; (iv) numerically implemented the theory by writing a user-material subroutine for a widely used finite element program; and (v) conducted representative experiments to validate the predictive capability of our theory and its numerical implementation in complex three-dimensional geometries. By comparing the numerically predicted response in these validation simulations against measurements from corresponding experiments, we show that our theory is capable of reasonably accurately reproducing the experimental results. As a demonstration of the robustness of the three-dimensional numerical capability, we also show results from a simulation of the shape-recovery response of a stent made from the polymer when it is inserted in an artery modeled as a compliant elastomeric tube.     

A phenomenological model for microstructure-dependent inelasticity in shape-memory alloys

Degradation in shape-memory alloy response is a crucial concern for a variety of innovative applications. Under cyclic loadings, these materials generally experience permanent inelastic deformations. The onset of plasticization is known to be very sensitive to the microstructure of the polycrystalline specimen. Moving from recent experimental findings (Malard et al. in Funct Mater Lett 2:45–54, 2009; Acta Mater 59:1542–1556, 2011), we present a phenomenological model for permanent inelastic effects in shape-memory alloys taking into account the polycrystalline microstructure. In particular, the mechanical response under cyclic loadings is investigated in connection with the mean crystal grain size. Formulated within the variational frame of generalized standard materials, the model consists in an extension of the model in Auricchio et al. (Int J Plast 23:207–226, 2007) to the case of microstructure-dependent parameters. The mathematical setting is discussed and numerical simulations showing the capability of the model to reproduce experiments are presented.     

A micromechanics-inspired constitutive model for shape-memory alloys that accounts for initiation and saturation of phase transformation

A constitutive model to describe macroscopic elastic and transformation behaviors of polycrystalline shape-memory alloys is formulated using an internal variable thermodynamic framework. In a departure from prior phenomenological models, the proposed model treats initiation, growth kinetics, and saturation of transformation distinctly, consistent with physics revealed by recent multi-scale experiments and theoretical studies. Specifically, the proposed approach captures the macroscopic manifestations of three micromechanial facts, even though microstructures are not explicitly modeled: (1) Individual grains with favorable orientations and stresses for transformation are the first to nucleate martensite, and the local nucleation strain is relatively large. (2) Then, transformation interfaces propagate according to growth kinetics to traverse networks of grains, while previously formed martensite may reorient. (3) Ultimately, transformation saturates prior to 100% completion as some unfavorably-oriented grains do not transform; thus the total transformation strain of a polycrystal is modest relative to the initial, local nucleation strain. The proposed formulation also accounts for tension–compression asymmetry, processing anisotropy, and the distinction between stress-induced and temperature-induced transformations. Consequently, the model describes thermoelastic responses of shape-memory alloys subject to complex, multi-axial thermo-mechanical loadings. These abilities are demonstrated through detailed comparisons of simulations with experiments.     

Hysteresis in shape-memory alloys

We present an overview of hysteresis phenomena in the martensitic transformation, and their relevance in the thermomechanical behaviour of shape-memory alloys. The first part of the paper introduces the concept of hysteresis, and the related phenomena of branching, dissipation and memory. The second part deals with revising some aspects of the thermomechanical behaviour of shape-memory alloys, emphasizing the hysteretic behaviour of single crystals and polycrystals under different driving conditions. The last part of the work is dedicated to the problem of modelling hysteresis phenomena in shape-memory alloys. Our focus is on phenomenological approaches which, as shown in the paper, account for the memory properties observed in hysteretic trajectories and open the possibility of deriving a generic energy balance for systems with hysteresis.     

Thermal effects in the superelasticity of crystalline shape-memory materials

This paper develops a three-dimensional theory for the superelastic response of single-crystal shape-memory materials. Since energetic considerations play a major role in the phase transformations associated with the superelastic response, we have developed the theory within a framework that accounts for the laws of thermodynamics. We have implemented a special set of constitutive equations resulting from the general theory in a finite-element computer program, and using this program have simulated the superelastic response of a single crystal Ti-Ni shape-memory alloy under both isothermal and thermo-mechanically coupled situations. Both manifestations of superelasticity—stress-strain response at fixed temperature and strain-temperature response at fixed stress—are explored. The single-crystal constitutive-model is also used to discuss the superelastic response of a polycrystalline aggregate with a random initial crystallographic texture. The overall features of the results from the numerical simulations are found to be qualitatively similar to existing experimental results on Ti-Ni.     

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.     

Magnetic shape-memory alloys: thermomechanical modelling and analysis

A phenomenological model for the coupled thermo-electro-magneto-mechanical and phase-transformation behaviour of magnetic shape-memory alloys is advanced in small strains and eddy current approximation. The corresponding system of strongly nonlinear relations is tackled via a suitable enthalpy-like transformation. A fully implicit regularized time-discretization scheme is devised and proved to be stable and convergent. In particular, the convergence proof for discrete solutions entails that a suitably weak, energy-conserving solution to the continuous nonlinear system exists. Moreover, several particular models as e.g. ferro/paramagnetic transformation in ferromagnetic materials, martensitic transformation in shape memory allows, or just a simple thermistor problem are covered just as special cases.     

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.     

Coarse-grained simulation of molecular mechanisms of recovery in thermally activated shape-memory polymers

Thermally actuated shape-memory polymers (SMPs) are capable of being programmed into a temporary shape and then recovering their permanent reference shape upon exposure to heat, which facilitates a phase transition that allows dramatic increase in molecular mobility. Experimental, analytical, and computational studies have established empirical relations of the thermomechanical behavior of SMPs that have been instrumental in device design. However, the underlying mechanisms of the recovery behavior and dependence on polymer microstructure remain to be fully understood for copolymer systems. This presents an opportunity for bottom-up studies through molecular modeling; however, the limited time-scales of atomistic simulations prohibit the study of key performance metrics pertaining to recovery. In order to elucidate the effects of phase fraction, recovery temperature, and deformation temperature on shape recovery, here we investigate the shape-memory behavior in a copolymer model with coarse-grained potentials using a two-phase molecular model that reproduces physical crosslinking. Our simulation protocol allows observation of upwards of 90% strain recovery in some cases, at time-scales that are on the order of the timescale of the relevant relaxation mechanism (stress relaxation in the unentangled soft-phase). Partial disintegration of the glassy phase during mechanical deformation is found to contribute to irrecoverable strain. Temperature dependence of the recovery indicates nearly full elastic recovery above the trigger temperature, which is near the glass-transition temperature of the rubbery switching matrix. We find that the trigger temperature is also directly correlated with the deformation temperature, indicating that deformation temperature influences the recovery temperatures required to obtain a given amount of shape recovery, until the plateau regions overlap above the transition region. Increasing the fraction of glassy phase results in higher strain recovery at low to intermediate temperatures, a widening of the transition region, and an eventual crossover at high temperatures. Our results corroborate experimental findings on shape-memory behavior and provide new insight into factors governing deformation recovery that can be leveraged in biomaterials design. The established computational methodology can be extended in straightforward ways to investigate the effects of monomer chemistry, low-molecular-weight solvents, physical and chemical crosslinking, different phase-separation morphologies, and more complicated mechanical deformation toward predictive modeling capabilities for stimuli-responsive polymers.     

Cyclic deformation of TiNi shape-memory alloy helical spring

The influence of training and shape-memory processing temperature on cyclic deformation of TiNi shapememory alloy helical springs is investigated. The results are summarized as follows. (1) For large strain, significant irrecoverable elongation appears in the early cycles. The appearance of the irrecoverable elongation can be avoided by the training. (2) The recovery force of the spring varies slightly during the thermal cycles, which shows the very stable cyclic characteristics of the force. (3) The cyclic characteristics of deformation in the helical springs depend on the size of the region accompanied by the stress-induced martensitic transformation in the cross section of the wire.Paper was presented at the 1991 SEM Spring Conference on Experimental Mechanics held in Milwaukee, WI on June 10–13.     

Thermodynamic and relaxation-based modeling of the interaction between martensitic phase transformations and plasticity

This paper focuses on the issue plasticity within the framework of a micromechanical model for single-crystal shape-memory alloys. As a first step towards a complete micromechanical formulation of such models, we work with classical J₂-von Mises-type plasticity for simplicity. The modeling of martensitic phase transitions is based on the concept of energy relaxation (quasiconvexification) in connection with evolution equations derived from inelastic potentials. Crystallographic considerations lead to the derivation of Bain strains characterizing the transformation kinematics. The model is derived for arbitrary numbers of martensite variants and thus can be applied to any shape-memory material such as CuAlNi or NiTi. The phase transition model captures effects like tension/compression asymmetry and transformation induced anisotropy. Additionally, attention is focused on the interaction between phase transformations and plasticity in terms of the inheritance of plastic strain. The effect of such interaction is demonstrated by elementary numerical studies.     

Modeling elastic-inelastic processes in shape memory alloys at finite deformations

An equation of state for a shape memory alloy is derived using a formalized approach to the construction of finite-deformation constitutive equations for complex media. The obtained equations were tested for coupled elastic-inelastic boundary-value problems of deformation of a sample of a shape-memory during forward and reverse martensitic transformations.     

Thermodynamics of Shape Memory Alloy Wire: Modeling, Experiments, and Application

A thermomechanical model for a shape memory alloy (SMA) wire under uniaxial loading is implemented in a finite element framework, and simulation results are compared with mechanical and infrared experimental data. The constitutive model is a one–dimensional strain-gradient continuum model of an SMA wire element, including two internal field variables, possible unstable mechanical behavior, and the relevant thermomechanical couplings resulting from latent heat effects. The model is calibrated to recent and new experiments of typical commercially available polycrystalline NiTi wire. The shape memory effect and pseudoelastic behaviors are demonstrated numerically as a function of applied displacement rate and environmental parameters, and the results compare favorably to experimental data. The model is then used to simulate a simple SMA actuator device, and its performance is assessed for different thermal boundary conditions.     

A combined experimental–numerical investigation of ductile fracture in bending of a class of ferritic–martensitic steel

We present a combined experimental–numerical study on fracture initiation at the convex surface and its propagation during bending of a class of ferritic–martensitic steel. On the experimental side, so-called free bending experiments are conducted on DP1000 steel sheets until fracture, realizing optical and scanning electron microscopy analyses on the post mortem specimens for fracture characterization. A blended Mode I – Mode II fracture pattern, which is driven by cavitation at non-metallic inclusions as well as martensitic islands and resultant softening-based intense strain localization, is observed. Phenomena like crack zig-zagging and crack alternation at the bend apex along the bending axis are introduced and discussed. On the numerical side, based on this physical motivation, the process is simulated in 2D plane strain and 3D, using Gurson’s dilatant plasticity model with a recent shear modification, strain-based void nucleation, and coalescence effects. The effect of certain material parameters (initial porosity, damage at coalescence and failure, shear modification term, etc.), plane strain constraint and mesh size on the localization and the fracture behavior are investigated in detail.