Coupled thermo-mechanical modelling of bulk-metallic glasses: Theory, finite-element simulations and experimental verification

A three-dimensional, finite-deformation-based constitutive model to describe the behavior of metallic glasses in the supercooled liquid region has been developed. By formulating the theory using the principles of thermodynamics and the concept of micro-force balance [Gurtin, M., 2000. On the plasticity of single crystals: free energy, microforces, plastic-strain gradients. J. Mech. Phys. Solids 48, 989-1036], a kinetic equation for the free volume concentration is derived by augmenting the Helmholtz free energy used for a conventional metallic alloy with a flow-defect free energy which depends on the free volume concentration and its spatial gradient. The developed constitutive model has also been implemented in the commercially available finite-element program ABAQUS/Explicit (2005) by writing a user-material subroutine. The constitutive parameters/functions in the model were calibrated by fitting the constitutive model to the experimental simple compression stress-strain curves conducted under a variety of strain-rates at a temperature in the supercooled liquid region [Lu, J., Ravichandran, G., Johnson, W., 2003. Deformation behavior of the Zr-Ti-Cu-Ni-Be bulk metallic glass over a wide range of strain-rates and temperatures. Acta Mater. 51, 3429-3443].With the model calibrated, the constitutive model was able to reproduce the simple compression stress-strain curves for jump-in-strain-rate experiments to good accuracy. Furthermore stress-strain responses for simple compression experiments conducted at different ambient temperatures within the supercooled liquid region were also accurately reproduced by the constitutive model. Finally, shear localization studies also show that the constitutive model can reasonably well predict the orientation of shear bands for compression experiments conducted at temperatures within the supercooled liquid region [Wang, G., Shen, J., Sun, J., Lu, Z., Stachurski, Z., Zhou, B., 2005. Compressive fracture characteristics of a Zr-based bulk metallic glass at high test temperatures. Mater. Sci. Eng. A 398, 82-87].     

Surface tension-driven shape-recovery of micro/nanometer-scale surface features in a Pt57.5Ni5.3Cu14.7P22.5 metallic glass in the supercooled liquid region: A numerical modeling capability

Recent experiments in the literature show that micro/nano-scale features imprinted in a Pt-based metallic glass, Pt_57.5Ni_5.3Cu_14.7P_22.5, using thermoplastic forming at a temperature above its glass transition temperature, may be erased by subsequent annealing at a slightly higher temperature in the supercooled liquid region (Kumar and Schroers, 2008). The mechanism of shape-recovery is believed to be surface tension-driven viscous flow of the metallic glass. We have developed an elastic-viscoplastic constitutive theory for metallic glasses in the supercooled liquid temperature range at low strain rates, and we have used existing experimental data in the literature for Pt_57.5Ni_5.3Cu_14.7P_22.5 (Harmon et al., 2007) to estimate the material parameters appearing in our constitutive equations. We have implemented our constitutive model for the bulk response of the glass in a finite element program, and we have also developed a numerical scheme for calculating surface curvatures and incorporating surface tension effects in finite element simulations. By carrying out full three-dimensional finite-element simulations of the shape-recovery experiments of Kumar and Schroers (2008), and using the independently determined material parameters for the bulk glass, we estimate the surface tension of Pt_57.5Ni_5.3Cu_14.7P_22.5 at the temperature at which the shape-recovery experiments were conducted. Finally, with the material parameters for the underlying elastic-viscoplastic bulk response as well as a value for the surface tension of the Pt-based metallic glass fixed, we validate our simulation capability by comparing predictions from our numerical simulations of shape-recovery experiments of Berkovich nanoindents, against corresponding recent experimental results of Packard et al. (2009) who reported shape-recovery data of nanoindents on the same Pt-based metallic glass.     

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.     

显式方法精确模拟形状记忆聚合物热力学行为

通过构建一个热耦合的多轴可压缩应变能函数,得到应力-应变、应力-温度和应变-温度之间的函数关系,建立形状记忆聚合物的本构方程.本文引入三个基于对数应变的不变量使得模型（i）可以模拟可压缩情况;（ii）适用于单轴拉伸和等双轴拉伸至少两个基准实验;（iii）多轴有效.通过显式方法（i）给出自由能和熵的具体表达,证明模型热力学定律;（ii）给出应变-应力,温度-应力以及,温度-应变的形函数具体表达.多轴模型在特定的情况下可以自动退化到各自的单轴情况. 通过调节形函数的参数,最终得到的模型结果和实验结果能够精确匹配.新方法建立的本构模型得到的结果能更加准确地指导形状记忆聚合物的工程设计。     

显式方法精确模拟形状记忆聚合物热力学行为

通过构建一个热耦合的多轴可压缩应变能函数,得到应力-应变、应力-温度和应变-温度之间的函数关系,建立形状记忆聚合物的本构方程.本文引入三个基于对数应变的不变量使得模型（i）可以模拟可压缩情况;（ii）适用于单轴拉伸和等双轴拉伸至少两个基准实验;（iii）多轴有效.通过显式方法（i）给出自由能和熵的具体表达,证明模型热力学定律;（ii）给出应变-应力,温度-应力以及,温度-应变的形函数具体表达.多轴模型在特定的情况下可以自动退化到各自的单轴情况. 通过调节形函数的参数,最终得到的模型结果和实验结果能够精确匹配.新方法建立的本构模型得到的结果能更加准确地指导形状记忆聚合物的工程设计。     

A multi-axial, multimechanism based constitutive model for the comprehensive representation of the evolutionary response of SMAs under general thermomechanical loading conditions

We present a fully general, three dimensional, constitutive model for Shape Memory Alloys (SMAs), aimed at describing all of the salient features of SMA evolutionary response under complex thermomechanical loading conditions. In this, we utilize the mathematical formulation we have constructed, along with a single set of the model’s material parameters, to demonstrate the capturing of numerous responses that are experimentally observed in the available SMA literature. This includes uniaxial, multi-axial, proportional, non-proportional, monotonic, cyclic, as well as other complex thermomechanical loading conditions, in conjunction with a wide range of temperature variations. The success of the presented model is mainly attributed to the following two main factors. First, we use multiple inelastic mechanisms to organize the exchange between the energy stored and energy dissipated during the deformation history. Second, we adhere strictly to the well established mathematical and thermodynamical requirements of convexity, associativity, normality, etc. in formulating the evolution equations governing the model behavior, written in terms of the generalized internal stress/strain tensorial variables associated with the individual inelastic mechanisms. This has led to two important advantages: (a) it directly enabled us to obtain the limiting/critical transformation surfaces in the spaces of both stress and strain, as importantly required in capturing SMA behavior; (b) as a byproduct, this also led, naturally, to the exhibition of the apparent deviation from normality, when the transformation strain rate vectors are plotted together with the surfaces in the space of external/global stresses, that has been demonstrated in some recent multi-axial, non-proportional experiments.     

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.     

Behaviors of three BCC metal over a wide range of strain rates and temperatures: experiments and modeling

The elastic–plastic behaviors of three body-centered cubic metals, tantalum, tantalum alloy with 2.5% tungsten, and AerMet 100 steel, are presented over a wide range of strains (15%), strain rates (10⁻⁶–10⁴ s⁻¹) and temperatures (77–600°F). Johnson-Cook and Zerilli-Armstrong models were found inadequate to describe the observations. A new viscoplastic model is proposed based on these experimental results. The proposed constitutive model gives good correlations with these experimental results and strain-rate jump experiments. In the next paper (Liang, R., Khan A.S., 2000. Behaviors of three BCC metals during non-proportional multi-axial loadings and predictions using a recently proposed model. International Journal of Plasticity, in press), multi-axial loading results on these materials and comparison with the proposed model will be presented.     

An isotropic-plasticity-based constitutive model for martensitic reorientation and shape-memory effect in shape-memory alloys

In this work, we develop an isotropic-plasticity-based constitutive model for initially martensitic shape-memory alloys (SMA) which exhibit martensitic reorientation and the shape-memory effect. The constitutive model is then implemented in the [Abaqus reference manuals. 2006. Providence, R.I.] finite-element program by writing a user-material subroutine. The results from the constitutive model and numerical procedure are then compared to representative physical experiments conducted on polycrystalline rod and sheet Ti–Ni. The constitutive model and the numerical simulations are able to reproduce the stress–strain responses from these physical experiments to good accuracy. Finally, two different boundary value problems utilizing the one-way shape-memory effect are studied: (a) the deformation of an arterial stent, and (b) a micro-clamper. We show that our constitutive model can be used to model the response of the aforementioned boundary value examples.     

DYNAMIC MECHANICAL BEHAVIOR OF 6061 AL ALLOY AT ELEVATED TEMPERATURES AND DIFFERENT STRAIN RATES

The compressive stress-strain relationships of 6061Al alloy over wide temperatures and strain rates are investigated. The dynamic impact experiments are performed using an improved high temperature split Hopkinson pressure bar apparatus. The experimental results are compared with those obtained by the modified Johnson-Cook constitutive model. It is found that the dynamic mechanical behavior depends sensitively on temperature under relatively low strain rates or on strain rate at relatively high temperatures. The good agreement indicates that it is valid to adopt the parameter identification method and the constitutive model to describe and predict the mechanical response of materials.     

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.     

Multi-mechanism anisotropic model for granular materials

By representing the assembly by a simplified column model, a constitutive theory, referred to as sliding–rolling theory, was recently developed for a two-dimensional assembly of rods subjected to biaxial loading, and then extended to a three-dimensional assembly of spheres subjected to triaxial (equibiaxial) loading. The sliding–rolling theory provides a framework for developing a phenomenological constitutive law for granular materials, which is the objective of the present work. The sliding–rolling theory provides information concerning yield and flow directions during radial and non-radial loading. In addition, the theory provides information on the role of fabric anisotropy on the stress–strain behavior and critical state shear strength. In the present paper, a multi-axial phenomenological model is developed within the sliding–rolling framework by utilizing the concepts of critical state, classical elasto-plasticity and bounding surface. The resulting theory involves two yield surfaces and falls within the definition of the multi-mechanism models. Computational issues concerning the solution uniqueness for stress states at the corner of yield surfaces are addressed. The effect of initial and induced fabric anisotropy on the constitutive behavior is incorporated. It is shown that the model is capable of simulating the effect of anisotropy, and the behavior of loose and dense sands under drained and undrained loading.     

Numerical simulation on coupling behavior of Terfenol-D rods

Terfenol-D rods, as a kind of giant magnetostrictive materials, are often used as active elements of device for anti-vibration application due to its superior material properties. Their magneto-mechanical responses exhibited in many experiments are nonlinear and coupled. In order to have a good understanding on their coupling characters for accurate control, the numerical simulation on dynamic behavior of a Terfenol-D rod is conducted based on a nonlinear and coupling constitutive model proposed in this paper. The results show that the constitutive model can effectively describe some intrinsic coupling phenomena observed by experiments involving the maximum magnetostrictive strain of a Terfenol-D rod changing with pre-stresses and the corresponding dynamic responses show that the frequency and the amplification of the Terfenol-D rod change with magnetic bias field and pre-stresses, which are also consistent with experimental data and cannot be captured by previous constitutive model.     

Anisotropic responses, constitutive modeling and the effects of strain-rate and temperature on the formability of an aluminum alloy

Finite deformation anisotropic responses of AA5182-O, over a wide range of strain-rates (10⁻⁴ to 10⁰ s⁻¹) and temperatures (293-473 K) are presented. The plastic anisotropy parameters were experimentally determined from tensile experiments using specimens from sheet material. Using the experimental results under plane stress conditions, the anisotropy coefficients for Barlat’s yield function (YLD96) were calculated at different strain-rates and temperatures. The correlations obtained from YLD96 are in good agreement with the observed experimental results. The strain-rate sensitivity of AA5182-O alloy changed from negative at 293 K to positive at 473 K. Khan-Huang-Liang (KHL) constitutive model is shown to correlate the observed strain-rate and temperature dependent responses reasonably well. The material parameters were obtained from the experimental responses along the rolling direction (RD) of the sheet. Marciniak and Kuckzinsky (M-K) theory was used to obtain the theoretical strain and stress-based forming limit curves (FLCs) at different strain-rates and temperatures. The experimental result from the published literature is compared with the FLCs from the current study.     

Viscoelasticity of brain corpus callosum in biaxial tension

Computational models of the brain rely on accurate constitutive relationships to model the viscoelastic behavior of brain tissue. Current viscoelastic models have been derived from experiments conducted in a single direction at a time and therefore lack information on the effects of multiaxial loading. It is also unclear if the time-dependent behavior of brain tissue is dependent on either strain magnitude or the direction of loading when subjected to tensile stresses. Therefore, biaxial stress relaxation and cyclic experiments were conducted on corpus callosum tissue isolated from fresh ovine brains. Results demonstrated the relaxation behavior to be independent of strain magnitude, and a quasi-linear viscoelastic (QLV) model was able to accurately fit the experimental data. Also, an isotropic reduced relaxation tensor was sufficient to model the stress-relaxation in both the axonal and transverse directions. The QLV model was fitted to the averaged stress relaxation tests at five strain magnitudes while using the measured strain history from the experiments. The resulting model was able to accurately predict the stresses from cyclic tests at two strain magnitudes. In addition to deriving a constitutive model from the averaged experimental data, each specimen was fitted separately and the resulting distributions of the model parameters were reported and used in a probabilistic analysis to determine the probability distribution of model predictions and the sensitivity of the model to the variance of the parameters. These results can be used to improve the viscoelastic constitutive models used in computational studies of the brain.     

A multi-axial constitutive model for metal matrix composites

Metal matrix composites (MMCs) generally do not follow the classical plasticity theory, even though the matrix metals do deform plastically. A tension-compression yield asymmetry is typically observed in MMCs. For particulate-reinforced MMCs, this non-classical response is mainly due to the variation of damage evolution with loading modes. In this paper, a viscoplastic multi-axial constitutive model for plastic deformation of MMCs is constructed using the Mises-Schleicher yield criterion. The subsequent plastic flow is characterized by an associated and decomposed flow rule considering effects from both deviatoric and hydrostatic stresses. This model is capable of describing the multi-axial yield and flow behavior of MMCs by using simulated or measured asymmetric tensile and compressive stress-strain responses as input. As an example, the influence of damage evolution in terms of interfacial debonding in MMCs (obtained from FEM simulations) is incorporated through the different tensile and compressive stress-strain behaviors. Applying this model to predict the torsion and the pressure-dependant tensile responses of some commonly used MMCs provides good agreement with experimental data.     

Constitutive model of discontinuous plastic flow at cryogenic temperatures

FCC metals and alloys are frequently used in cryogenic applications, nearly down to the temperature of absolute zero, because of their excellent physical and mechanical properties including ductility. Some of these materials, often characterized by the low stacking fault energy (LSFE), undergo at low temperatures three distinct phenomena: dynamic strain ageing (DSA), plastic strain induced transformation from the parent phase (γ) to the secondary phase (α′) and evolution of micro-damage. The constitutive model presented in the paper is focused on the discontinuous plastic flow (serrated yielding) and takes into account the relevant thermodynamic background. The discontinuous plastic flow reflecting the DSA effect is described by the mechanism of local catastrophic failure of Lomer–Cottrell (LC) locks under the stress fields related to the accumulating edge dislocations (below the transition temperature from the screw dislocations to the edge dislocations mode T₁). The failure of LC locks leads to massive motion of released dislocations accompanied by the step-wise increase of the strain rate. The response of stress is defined in terms of four stages within each serration cycle. In the fourth stage, the strain rate sensitivity model with temperature playing the role of relaxation parameter is applied. Identification of parameters of the constitutive model is based on the experimental data collected during a campaign of tensile tests carried out on copper and stainless steel samples immersed in liquid helium (4.5 K), by means of a unique equipment developed at CERN.     

45钢动态塑性本构参量与验证

运用静态实验机和SHPB装置,对45钢在常温～750C、应变率为10-4～103 s-1下的力学行为进行了研究,拟合得到了Johnson-Cook本构模型参量。开展了Taylor圆柱撞击的火炮实验,运用LS-DYNA进行了相应的数值模拟,通过二者的比较对本构模型参量进行了验证,表明所得模型参量可以较好地描述材料在高速变形下的大应变力学行为。     

Rate dependent finite strain constitutive model of polyurea

Continuous loading and unloading experiments are performed at different strain rates to characterize the large deformation behavior of polyurea under compressive loading. In addition, uniaxial compression tests are carried out with multistep strain history profiles. The analysis of the experimental data shows that the concept of equilibrium path may not be applied to polyurea. This finding implies that viscoelastic constitutive models of the Zener type are no suitable for the modeling of the rate dependent behavior of polyurea. A new constitutive model is developed based on a rheological model composed of two Maxwell elements. The soft rubbery response is represented by a Gent spring while nonlinear viscous evolution equations are proposed to describe the time-dependent material response. The eight material model parameters are identified for polyurea and used to predict the experimentally-measured stress-strain curves for various loading and unloading histories. The model provides a good prediction of the response under monotonic loading over wide range of strain rates, while it overestimates the stiffness during unloading. Furthermore, the model predictions of the material relaxation and viscous dissipation during a loading-unloading cycle agree well with the experiments.