Representation of the glass-transition in mechanical and thermal properties of glass-forming materials: A three-dimensional theory based on thermodynamics with internal state variables

In the vicinity of the glass transition, glass-forming materials exhibit pronounced frequency-dependent changes in the mechanical material properties, the thermal expansion behaviour and the specific heat. The frequency dependence becomes apparent under harmonic stress, strain or temperature excitations. The Prigogine-Defay ratio is a characteristic number which connects the changes in magnitude of these quantities at the glass transition. In order to represent the thermoviscoelastic properties of glass-forming materials in continuum mechanics, a three-dimensional approach which is based on the Gibbs free energy as thermodynamic potential is developed in this article. The Gibbs free energy depends on the stress tensor, the temperature and a set of internal variables which is introduced to take history-dependent phenomena into account. In the vicinity of an equilibrium reference state, the specific Gibbs free energy is approximated up to second order terms. Evaluating the Clausius-Duhem inequality, the constitutive relations for the strain tensor, the entropy and the internal variables are derived. In comparison with other approaches, the entropy, the strain tensor and the internal variables are functionals not only of the stress tensor but also of the temperature. Applying harmonic temperature- or stress-controlled excitations, complex frequency-dependent relations for the specific heat under constant stress, for the thermal expansion coefficients as well as for the dynamic mechanical compliance are obtained. The frequency-dependence of these quantities depicts the experimentally observed behaviour of glass-forming materials as published in literature. Under the assumption of isotropic material behaviour, it is shown that the developed theory is compatible with the Prigogine-Defay inequality for arbitrary values of the material parameters.     

New spatial curved beam and cylindrical shell elements of gradient-deficient Absolute Nodal Coordinate Formulation

Based on previous studies, a new spatial curved slender-beam finite element and a new cylindrical shell finite element are proposed in the frame of gradient-deficient Absolute Nodal Coordinate Formulation (ANCF). The strain energy of the beam element is derived by using the definition of the Green?CLagrange strain tensor in continuum mechanics so that the assumption on small strain can be relaxed. By using the differential geometry and the continuum mechanics, the angle between two base vectors of a defined local coordinate frame of the cylindrical shell element is introduced into the strain energy formulations. Therefore, the new shell element can be used to model parallelogram shells. The analytical formulations of elastic forces and their Jacobian for the above two finite elements of gradient-deficient ANCF are also derived via the skills of tensor analysis. The generalized-alpha method is used to solve the huge set of system equations. Finally, four case studies including both static and dynamic problems are given to validate the proposed beam and cylindrical shell elements of gradient-deficient ANCF.     

Heat capacities and volumetric changes in the glass transition range: a constitutive approach based on the standard linear solid

A novel approach to represent the glass transition is proposed. It is based on a physically motivated extension of the linear viscoelastic Poynting–Thomson model. In addition to a temperature-dependent damping element and two linear springs, two thermal strain elements are introduced. In order to take the process dependence of the specific heat into account and to model its characteristic behaviour below and above the glass transition, the Helmholtz free energy contains an additional contribution which depends on the temperature history and on the current temperature. The model describes the process-dependent volumetric and caloric behaviour of glass-forming materials, and defines a functional relationship between pressure, volumetric strain, and temperature. If a model for the isochoric part of the material behaviour is already available, for example a model of finite viscoelasticity, the caloric and volumetric behaviour can be represented with the current approach. The proposed model allows computing the isobaric and isochoric heat capacities in closed form. The difference \(c_\mathrm{p} -c_\mathrm{v} \) is process-dependent and tends towards the classical expression in the glassy and equilibrium ranges. Simulations and theoretical studies demonstrate the physical significance of the model.     

Enhancing the Bolzon–Schrefler–Zienkiewicz Constitutive Model for Partially Saturated Soil

This paper presents an enhanced version of the elasto-plastic model for partially saturated soil first proposed by Bolzon, Schrefler and Zienkiewicz in 1996, “BSZ” model, which uses the effective stress tensor and suction as independent stress variables. It is recalled that the effective stress tensor proposed by Lewis and Schrefler in 1982 is thermodynamically consistent and, compared with other choices of stress tensors, results particularly suitable for partially saturated soil mechanics. A hydraulic constitutive relationship and a hydraulic hysteresis are introduced in the model, to take into account the irreversible deformation during cyclic drying and wetting until structural collapse. For this reason the plastic rate of strain is split into the sum of two components: one depending on the effective stress tensor and the other one on suction. This is the new feature of the BSZ model. This enhanced model is then cast into a thermodynamical framework at macroscopic level and it is shown that it is possible to derive the constitutive law from the Helmholtz free energy and a dissipation function, both for associative and non- associative plasticity. Finally the model predictions have been compared with experimental data for Sion slime, with particular emphasis on the deviatoric part, and model predictions of hysteretic behaviour have been investigated in case of a wetting and drying cycle on compacted betonite–kaolin.     

Shape memory behaviour: modelling within continuum thermomechanics

A phenomenological material model to represent the multiaxial material behaviour of shape memory alloys is proposed. The material model is able to represent the main effects of shape memory alloys: the one-way shape memory effect, the two-way shape memory effect due to external loads, the pseudoelastic and pseudoplastic behaviour as well as the transition range between pseudoelasticity and pseudoplasticity.The material model is based on a free energy function and evolution equations for internal variables. By means of the free energy function, the energy storage during thermomechanical processes is described. Evolution equations for internal variables, e.g. the inelastic strain tensor or the fraction of martensite are formulated to represent the dissipative material behaviour. In order to distinguish between different deformation mechanisms, case distinctions are introduced into the evolution equations. Thermomechanical consistency is ensured in the sense that the constitutive model satisfies the Clausius–Duhem inequality.Finally, some numerical solutions of the constitutive equations for isothermal and non-isothermal strain and stress processes demonstrate that the various phenomena of the material behaviour are well represented. This applies for uniaxial processes and for non-proportional loadings as well.     

Theoretical derivation of the conservation equations for single phase flow in porous media: a continuum approach

This paper deals with the theoretical derivation of the conservation equations for single phase flow in a porous medium. The derivation is obtained within the framework of the continuum mechanics and classical thermodynamics. The adopted procedure provides the conservation equations of mass, momentum, mechanical energy, total energy, internal energy, entropy, temperature, enthalpy, Gibbs free energy and Helmholtz free energy. The obtained results highlight the connection between the basic equations of fluid mechanics and of fluid flow in porous media, as well as the restrictions and the limitations of Darcy’s law and Richards’ equation.     

An energy release rate-based plastic-damage model for concrete

A new plastic-damage constitutive model for concrete is proposed in this paper. A tensile and a shear damage variable are adopted to describe the degradation of the macromechanical properties of concrete. Within the framework of continuum damage mechanics, the elastic Helmholtz free energy is defined to establish the plastic-damage constitutive relation with the internal variables. Regarding the specific format for the effective stress space plasticity, the evolution law for the plastic strains and the explicit expression for the elastoplastic Helmholtz free energy are determined and the damage energy release rates that are conjugated to the damage variables are derived. Thus, damage energy release rate-based damage criteria can be established in conformity to thermodynamical principles. In accordance with the normality rule, evolution laws for the damage variables are obtained to complete the proposed plastic-damage model. Some computational aspects concerning the numerical algorithm implementation are discussed as well. Several numerical simulations are presented at the end of the paper, whose results allow for validating the capability of the proposed model for reproducing the typical nonlinear performances of concrete structures under different monotonic and cyclic load conditions.     

A theory of thermo-visco-elastic-plastic materials: thermomechanical coupling in simple shear

The constitutive relations of a theory of thermo-visco-elastic-plastic continuum have been formulated in Lagrangian form. The Lagrangian strains, strain rates, temperature, temperature rate and temperature gradients are considered as the independent constitutive variables. Three internal state variables (plastic strain tensor, back strain tensor and a scalar hardening parameter) are also incorporated. The axioms of objectivity and equipresence are followed. The Clausius–Duhem inequality is taken as the second law of thermodynamics. Several special theories are deduced based on material symmetries and/or conventionally adopted assumptions. The applications to the formation of shear bands and dynamic crack propagation are discussed.     

The Payne effect in finite viscoelasticity: constitutive modelling based on fractional derivatives and intrinsic time scales

As we know from experimental testing, the stiffness behaviour of carbon black-filled elastomers under dynamic deformations is weakly dependent on the frequency of deformation but strongly dependent on the amplitude. Increasing strain amplitudes lead to a decrease in the dynamic stiffness, which is known as the Payne effect. In this essay, we develop a constitutive approach of finite viscoelasticity to represent the Payne effect in the context of continuum mechanics. The starting point for the constitutive model resulting from this development is the theory of finite linear viscoelasticity for incompressible materials, where the free energy is assumed to be a linear functional of the relative Piola strain tensor. Motivated by the weak frequency dependence of the dynamic stiffness of reinforced rubber, the memory kernel of the free energy functional is of the Mittag Leffler type. We demonstrate that the model is compatible with the Second Law of Thermodynamics and equal to a fractional differential equation between the overstress of the Second Piola Kirchhoff type and the Piola strain tensor. In order to represent the dependence of the dynamic stiffness on the amplitude of strain, we replace the physical time by an intrinsic time variable. The temporal evolution of the intrinsic time is driven by an internal variable, which is a measure for the current state of the material's microstructure. The material constants of the model are estimated using a stochastic identification algorithm of the Monte Carlo type. We demonstrate that the constitutive approach pursued here represents the combined frequency and amplitude dependence of filler-reinforced rubber. In comparison with the micromechanical Kraus model developed for sinusoidal strains, the theory set out in this essay allows the representation of the stress response under arbitrary loading histories.     

Variational asymptotic homogenization of temperature-dependent heterogeneous materials under finite temperature changes

The variational asymptotic method is used to construct a thermomechanical model for homogenizing heterogeneous materials made of temperature-dependent constituents subject to finite temperature changes with the restriction that the strain is small. First, we presented the derivation for a Helmholtz free energy suitable for finite temperature changes using basic thermodynamics concepts. Then we used this energy to construct a thermomechanical micromechanics model, extending our previous work which was restricted to small temperature changes. The new model is implemented in the computer code VAMUCH using the finite element method for the purpose of handling real heterogeneous materials with arbitrary periodic microstructures. A few examples including binary composites, fiber reinforced composites, and particle reinforced composites are used to demonstrate the application of this model and the errors introduced by assuming small temperature changes when they are not necessarily small.     

Noncanonical Poisson brackets for elastic and micromorphic solids

This paper investigates the Lagrangian-to-Eulerian transformation approach to the construction of noncanonical Poisson brackets for the conservative part of elastic solids and micromorphic elastic solids. The Dirac delta function links Lagrangian canonical variables and Eulerian state variables, producing noncanonical Poisson brackets from the corresponding canonical brackets. Specifying the Hamiltonian functionals generates the evolution equations for these state variables from the Poisson brackets. Different elastic strain tensors, such as the Green deformation tensor, the Cauchy deformation tensor, and the higher-order deformation tensor, are appropriate state variables in Poisson bracket formalism since they are quantities composed of the deformation gradient. This paper also considers deformable directors to comprise the three elastic strain density measures for micromorphic solids. Furthermore, the technique of variable transformation is also discussed when a state variable is not conserved along with the motion of the body.     

Pseudo-potential of elastoplastic damage constitutive model and its application

Damage pseudo-potentials, from which the damage evolution equations can be acquired, are usually expressed as scalar functions of irreversible thermodynamic variables. A lower potential for an action with the dissipation property corresponds to a Helmholtz free energy function in classical mechanics; therefore, pseudo-potential acts as a cornerstone of the damage constitutive relationship. According to the analysis on state and process of a damage system, the authors study the connection between damage action, pseudo-potential and free energy function. Next a general method to define the pseudo-potential of damage process is discussed. The discrete elementary equations of continuum damage mechanics are derived from the action functional. Subsequently, the numerical implementation of the aforementioned damage model is given. Comparison between experimental evidences and numerical results verifies the soundness of the theoretical model and the numerical framework.     

Interfacial excess energy, excess stress and excess strain in elastic solids: Planar interfaces

In this paper, interfacial excess energy and interfacial excess stress for coherent interfaces in an elastic solid are reformulated within the framework of continuum mechanics. It is shown that the well-known Shuttleworth relationship between the interfacial excess energy and interfacial excess stress is valid only when the interface is free of transverse stresses. To account for the transverse stress, a new relationship is derived between the interfacial excess energy and interfacial excess stress. Dually, the concept of transverse interfacial excess strain is also introduced, and the complementary Shuttleworth equation is derived that relates the interfacial excess energy to the newly introduced transverse interfacial excess strain. This new formulation of interfacial excess stress and excess strain naturally leads to the definition of an in-plane interfacial stiffness tensor, a transverse interfacial compliance tensor and a coupling tensor that accounts for the Poisson's effect of the interface. These tensors fully describe the elastic behavior of a coherent interface upon deformation.     

Constraints, Constitutive Limits, and Instability in Finite Thermoelasticity

This paper examines all the possible types of thermomechanical constraints in finite-deformational elasticity. By a thermomechanical constraint we mean a functional relationship between a mechanical variable, either the deformation gradient or the stress, and a thermal variable, temperature, entropy or one of the energy potentials; internal energy, Helmholtz free energy, Gibbs free energy or enthalpy. It is shown that for the temperature-deformation, entropy-stress, enthalpy-deformation, and Helmholtz free energy-stress constraints equilibrium states are unstable, in the sense that certain perturbations of the equilibrium state grow exponentially. By considering the constrained materials as constitutive limits of unconstrained materials, it is shown that the instability is associated with the violation of the Legendre–Hadamard condition on the internal energy. The entropy-deformation, temperature-stress, internal energy-stress, and Gibbs free energy-deformation constraints do not exhibit this instability. It is proposed that stability of the rest state (or equivalently convexity of internal energy) is a necessary requirement for a model to be physically valid, and hence entropy-deformation, temperature-stress, internal energy-stress, and Gibbs free energy-deformation constraints are physical, whereas temperature-deformation constraints (including the customary notion of thermal expansion that density is a function of temperature only), entropy-stress constraints, enthalpy-deformation constraints, and Helmholtz free energy-stress constraints are not.     

基于微态方法的耦合韧性损伤的弹塑性本构模型

基于广义连续介质力学提出了一个热力学一致性的耦合微态韧性损伤的弹塑性本构模型。该模型遵循Forest的微态方法,在有限变形中提出引入额外的微态损伤因子及其一阶梯度以考虑材料的内部特征尺度。通过广义虚功原理得到了微态损伤的补充控制方程,对亥姆霍兹自由能进行扩展,得到了新的包含微态损伤变量的损伤能量释放率,在微态损伤的正则化作用下,采用隐式迭代更新局部损伤和应力等状态变量。基于Galerkin加权余量法,推导了以传统位移和微态损伤为基本未知量的有限元列式。利用该数值模型,对DP1000材料的单向拉伸实验和十字形零件的冲压实验进行了应变局部化与材料断裂的有限元分析。结果表明,该微态弹塑性损伤模型可以得到一致的有限元模拟响应曲线并收敛到实验曲线,从而避免发生网格依赖性问题。     

On thermodynamic potentials in thermoelasticity under small strain and finite thermal perturbation assumptions

Expressions for thermodynamic potentials (internal energy, Helmholtz energy, Gibbs energy and enthalpy) of a thermoelastic material are developed under the assumption of small strains and finite changes in the thermal variable (temperature or entropy). The literature provides expressions for the Helmholtz energy in terms of strain and temperature, most often as expansions to the second order in strain and to a higher order in temperature changes, which ensures an affine stress–strain relation and a certain temperature dependence of the moduli of the material. Expressions are here developed for the four potentials in terms of all four possible pairs of independent variables. First, an expression is obtained for each potential as a quadratic function of its natural mechanical variable with coefficients depending on its natural thermal variable that are identified in terms of the moduli of the material. The form of the coefficients’ dependence on the thermal variable is not specified beforehand so as to obtain the most general expressions compatible with an affine stress–strain relation. Then, from each potential expressed in terms of its natural variables, expressions are derived for the other three potentials in terms of these same variables using the Gibbs–Helmholtz equations. The paper provides a thermodynamic framework for the constitutive modeling of thermoelastic materials undergoing small strains but finite changes in the thermal variables, the properties of which are liable to depend on the thermal variables.     

Anisotropic damage–plasticity model for concrete

A material model for concrete is proposed here within the framework of a thermodynamically consistent elasto-plasticity–damage theory. Two anisotropic damage tensors and two damage criteria are adopted to describe the distinctive degradation of the mechanical properties of concrete under tensile and compressive loadings. The total stress tensor is decomposed into tensile and compressive components in order to accommodate the need for the above mentioned damage tensors. The plasticity yield criterion presented in this work accounts for the spectral decomposition of the stress tensor and allows multiple hardening rules to be used. This plastic yield criterion is used simultaneously with the damage criteria to simulate the physical behavior of concrete. Non-associative flow rule for the plastic strains is used to account for the dilatancy of concrete as a frictional material. The thermodynamic Helmholtz free energy concept is used to consistently derive dissipation potentials for damage and plasticity and to allow evolution laws for different hardening parameters. The evolution of the two damage tensors is accounted for through the use of fracture-energy-based continuum damage mechanics. An expression is derived for the damage–elasto-plastic tangent operator. The theoretical framework of the model is described here while the implementation of this model will be discussed in a subsequent paper.     

Theory of 4D-media with stationary dislocations

In earlier studies, the authors showed that an application of classical methods of mechanics of deformable media to the study of properties of 4D-space-time continuum permit stating consistent models of nonholonomic media mechanics consistent with the first and second laws of thermodynamics. In the present paper, we show that the classical methods of continuum mechanics are also promising when modeling physical processes. It is shown that, just as in the three-dimensional theory of stationary dislocations, there exist dislocations of three types for a generalized 4D-medium. They correspond to the decomposition of the free distortion tensor into a spherical tensor, a deviator tensor, and a pseudotensor of rotations. We interpret several particular models, thus showing that the proposed model describes the spectrum of known physical interactions: electromagnetic, strong, weak, and gravitational. We show that the resolving equations include the Maxwell equations of electrodynamics and the Yukawa equations for strong interactions as subsystems.     

On the representation of chemical ageing of rubber in continuum mechanics

In order to represent the chemical ageing behaviour of rubber under finite deformations a three-dimensional theory is proposed. The fundamentals of this approach are different decompositions of the deformation gradient in combination with an additive split of the Helmholtz free energy into three parts. Its first part belongs to the volumetric material behaviour. The second part is a temperature-dependent hyperelasticity model which depends on an additional internal variable to consider the long-term degradation of the primary rubber network. The third contribution is a functional of the deformation history and a further internal variable; it describes the creation of a new network which remains free of stress when the deformation is constant in time. The constitutive relations for the stress tensor and the internal variables are deduced using the Clausius–Duhem inequality. In order to sketch the main properties of the model, expressions in closed form are derived with respect to continuous and intermittent relaxation tests as well as for the compression set test. Under the assumption of near incompressible material behaviour, the theory can also represent ageing-induced changes in volume and their effect on the stress relaxation. The simulations are in accordance with experimental data from literature.