On thermoelastic dielectrics

Constitutive equations for a linear thermoelastic dielectric are derived from the energy balance equation assuming dependence of the stored energy function on the strain tensor, the polarization vector, the polarization gradient tensor and entropy. A method is indicated for constructing a hierarchy of constitutive equations for materials with arbitrary symmetry by introducing various thermodynamic potentials. Maxwell's relations are constructed for the thermodynamic potential W^L. The entropy inequality is used to obtain stability conditions for an elastic dielectric in equilibrium under prescribed boundary constraints. Frequencies are explicitly determined for a plane wave propagating along the x₁-axis in an infinite centro-symmetric isotropic thermoelastic dielectric.     

On the generalized virial theorem and Eshelby tensors

The formal relationships between the scalar and tensorial virials and Eshelby tensors have been presently investigated. The key idea is to evaluate the Eshelby stress from discrete or atomistic simulations for a structured body, conceived as a numerical homogenization method to reconstitute the macroscopic continuum behavior in multiscale modelling approaches. Extending first the writing of the scalar virial to a material format, it is shown that the average of the elaborated scalar material virial is the trace of the (material) Eshelby stress. The spatial and material virials are further related to eachother in the framework of hyperelasticity, and a tensorial extension of the material virial is provided. Interpretation of those results from the microscopic point of view shows that Eshelby stress may be identified and calculated at the discrete level from the average of the virial tensor. Consideration of the material version of the virial theorem further leads to express Eshelby stress versus the average of the internal tensorial material virial and of the kinetic energy. The average scalar virial is further identified to the grand potential in a thermodynamic context. A definition of the material scalar virial for a second order continuum is lastly proposed, based on the identification of a second order Eshelby stress and in line with the second order Cauchy–Born rule.     

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.     

Nonlinear Eulerian thermoelasticity for anisotropic crystals

A complete continuum thermoelastic theory for large deformation of crystals of arbitrary symmetry is developed. The theory incorporates as a fundamental state variable in the thermodynamic potentials what is termed an Eulerian strain tensor (in material coordinates) constructed from the inverse of the deformation gradient. Thermodynamic identities and relationships among Eulerian and the usual Lagrangian material coefficients are derived, significantly extending previous literature that focused on materials with cubic or hexagonal symmetry and hydrostatic loading conditions. Analytical solutions for homogeneous deformations of ideal cubic crystals are studied over a prescribed range of elastic coefficients; stress states and intrinsic stability measures are compared. For realistic coefficients, Eulerian theory is shown to predict more physically realistic behavior than Lagrangian theory under large compression and shear. Analytical solutions for shock compression of anisotropic single crystals are derived for internal energy functions quartic in Lagrangian or Eulerian strain and linear in entropy; results are analyzed for quartz, sapphire, and diamond. When elastic constants of up to order four are included, both Lagrangian and Eulerian theories are capable of matching Hugoniot data. When only the second-order elastic constant is known, an alternative theory incorporating a mixed Eulerian–Lagrangian strain tensor provides a reasonable approximation of experimental data.     

Macroscale Thermodynamics and the Chemical Potential for Swelling Porous Media

The thermodynamical relations for a two-phase, N-constituent, swelling porous medium are derived using a hybridization of averaging and the mixture-theoretic approach of Bowen. Examples of such media include 2-1 lattice clays and lyophilic polymers. A novel, scalar definition for the macroscale chemical potential for porous media is introduced, and it is shown how the properties of this chemical potential can be derived by slightly expanding the usual Coleman and Noll approach for exploiting the entropy inequality to obtain near-equilibrium results. The relationship between this novel scalar chemical potential and the tensorial chemical potential of Bowen is discussed. The tensorial chemical potential may be discontinuous between the solid and fluid phases at equilibrium; a result in clear contrast to Gibbsian theories. It is shown that the macroscopic scalar chemical potential is completely analogous with the Gibbsian chemical potential. The relation between the two potentials is illustrated in three examples.     

3D staggered Lagrangian hydrodynamics scheme with cell‐centered Riemann solver‐based artificial viscosity

The aim of the present work is the 3D extension of a general formalism to derive a staggered discretization for Lagrangian hydrodynamics on unstructured grids. The classical compatible discretization is used; namely, momentum equation is discretized using the fundamental concept of subcell forces. Specific internal energy equation is obtained using total energy conservation. The subcell force is derived by invoking the Galilean invariance and thermodynamic consistency. A general form of the subcell force is provided so that a cell entropy inequality is satisfied. The subcell force consists of a classical pressure term plus a tensorial viscous contribution proportional to the difference between the node velocity and the cell‐centered velocity. This cell‐centered velocity is an extra degree of freedom solved with a cell‐centered approximate Riemann solver. The second law of thermodynamics is satisfied by construction of the local positive definite subcell tensor involved in the viscous term. A particular expression of this tensor is proposed. A more accurate extension of this discretization both in time and space is also provided using a piecewise linear reconstruction of the velocity field and a predictor‐corrector time discretization. Numerical tests are presented in order to assess the efficiency of this approach in 3D. Sanity checks show that the 3D extension of the 2D approach reproduces 1D and 2D results. Finally, 3D problems such as Sedov, Noh, and Saltzman are simulated. Copyright © 2012 John Wiley & Sons, Ltd.     

On the thermodynamic consistency of the equivalence principle in continuum damage mechanics

We consider theories of continuum damage mechanics involving damage effect variables of different tensorial ranks. It turns out that orthotropic damage together with the use of Lemaitre's equivalence principle for the elastic part does not allow thermodynamic potentials such as the free enthalpy to exist. As the existence of these potentials is, however, a strict thermodynamic requirement, a theory employing orthotropic damage in this way is inconsistent. We show that the use of a rank-4 damage effect variable allows a consistent use of the equivalence principle.     

On thermomechanical solids with boundary structures

This paper, in line with the previous works (Javili and Steinmann, 2009, Javili and Steinmann, 2010), is concerned with the thermomechanically consistent theory and formulation of boundary potential energies and the study of their impact on the deformations of solids. Thereby, the main thrust in this contribution is the extension to thermomechanical effects. Although boundary effects can play a dominant role in the material behavior, the common modelling in continuum mechanics takes exclusively the bulk into account, nevertheless, neglecting possible contributions from the boundary. In this approach the boundary is equipped with its own thermodynamic life, i.e. we assume separate boundary energy, entropy and the like. Afterwards, the derivations of generalized balance equations, including boundary potentials, completely based on a tensorial representation is carried out. The formulation is exemplified for the example of thermohyperelasticity.     

An energy-based damage model of geomaterials—I. Formulation and numerical results

In this paper, an anisotropic damage model is established in strain space to describe the behaviour of geomaterials under compression-dominated stress fields. The research work focuses on rate-independent and small-deformation behaviour during isothermal processes. It is emphasized that the damage variables should be defined microstructurally rather than phenomenologically for geomaterials, and a second-order fabric tensor is chosen as the damage variable. Starting from it, a one-parameter damage-dependent elasticity tensor is deduced based on tensorial algebra and thermodynamic requirements ; a fourth-order damage characteristic tensor, which determines anisotropic damaging, is deduced within the framework of Rice, 1971 normality structure in Part II of this paper. An equivalent state is developed to exclude the macroscopic stress⧹strain explicitly from the relevant constitutive equations. Finally, some numerical results are worked out to illustrate the mechanical behaviour of this model.     

基于正则结构的各向异性损伤演化律

在Rice的正则结构框架下，推导出基于共轭力的各向异性损伤演化律。其中损伤变量采用二阶裂隙张量，它是固体内微裂纹的一个宏观测度。推导过程不涉及自由能的具体形式，主要结果包括损伤势函数及演化方程的解析表达式。在唯象的损伤力学模型里，损伤演化方程经常以唯象方程的形式出现。研究了唯象方程成立的条件及损伤特征张量的解析表达式。引入了广义裂隙张量及脆性指数的概念，并介绍了它们的作用和意义。     

Evolution Equations for Non-Simple Viscoelastic Solids

Objectivity and compatibility with thermodynamics of evolution equations are examined in connection with the modelling of viscoelastic solids. The purpose of the paper is to show that the evolution equation for the stress is eventually obtained by means of a tensorial internal variable within the framework of the reference configuration. The non-simple character is realized by gradients of the internal variable. The thermodynamic analysis is developed by investigating the entropy inequality in the reference configuration and allowing for a non-zero extra-entropy flux. It follows that the evolution for the Cauchy stress tensor involves the Oldroyd derivative, irrespective of the form of the non-local terms.     

A tensorial description of the transformation kinetics of the martensitic phase transformation

Based on a local examination of the phase transition front, a macroscopic second order tensor describing the thermodynamic force for the phase transformation is proposed. Consequently, an associated thermodynamic flux is introduced. These tensorial variables are embedded into a material law which describes the behavior of steels during the austenite–martensite phase transformation. The material law is implemented into a finite element formulation. Homogeneous tests in pure tension/compression and torsion are performed to verify the behavior of the material law. Due to the independent modeling of the behavior of the phases, the influence of the yield stress of the austenite on the transformation kinetics can be verified. A classical example is presented to show the ability of the model to calculate large structural problems.     

Balance equation of the generalised sub-grid scale (SGS) turbulent kinetic energy in a new tensorial dynamic mixed SGS model

A new dynamic model is proposed in which the eddy viscosity is defined as a symmetric second rank tensor, proportional to the product of a turbulent length scale with an ellipsoid of turbulent velocity scales. The employed definition of the eddy viscosity allows to remove the local balance assumption of the SGS turbulent kinetic energy formulated in all the dynamic Smagorinsky-type SGS models. Furthermore, because of the tensorial structure of the eddy viscosity the alignment assumption between the principal axes of the SGS turbulent stress tensor and the resolved strain-rate tensor is equally removed, an assumption which is employed in the scalar eddy viscosity SGS models. The proposed model is tested for a turbulent channel flow. Comparison with the results obtained with other dynamic SGS models (Dynamic Smagorinsky Model, Dynamic Mixed Model and Dynamic K-equation Model) shows that the tensorial definition of the eddy viscosity and the removal of the local balance assumption of the SGS turbulent kinetic energy considerably improves the agreement between results obtained with Large Eddy simulation (LES) and Direct Numerical Simulations (DNS), respectevely. Received August 26, 1999     

A nonlocal phase-field model of Ginzburg–Landau–Korteweg fluids

A thermodynamic model of Korteweg fluids undergoing phase transition and/or phase separation is developed within the framework of weakly nonlocal thermodynamics. Compatibility with second law of thermodynamics is investigated by applying a generalized Liu procedure recently introduced in the literature. Possible forms of the free energy and of the stress tensor, which generalize some earlier ones proposed by several authors in the last decades, are carried out. Owing to the new procedure applied for exploiting the entropy principle, the thermodynamic potentials are allowed to depend on the whole set of variables spanning the state space, including the gradients of the unknown fields, without postulating neither the presence of an energy or entropy extra-flux, nor an additional balance law for microforce.     

Macroscopic properties of a two-phase potential dispersion composed of identical unit cells

The potential flow solution for flow of fluid past dispersed objects in a “unit cell” is used to derive several macroscopic properties, including the mean pressures in the phases and on the walls, the momentum and kinetic energy density, the force function and mechanical energy flux. These properties are derived from the “resistivity” of the unit cell, which has a tensorial character in general. Various macroscopic forms of Bernoulli's equation relate the properties. Equations of motion for uniform arrays of cells are derived. Various other features, such as minimization of kinetic energy density and forces at concentration jumps, are analyzed.     

Dislocations and disclinations: continuously distributed defects in elasto-plastic crystalline materials

The paper deals with elasto-plastic models for crystalline materials with defects, dislocations coupled with disclinations. The behaviour of the material is described with respect to an anholonomic configuration, endowed with a non-Riemannian geometric structure. The geometry of the material structure is generated by the plastic distortion, which is an incompatible second-order tensor, and by the so-called plastic connection which is metric compatible, with respect to the metric tensor associated with the plastic distortion. The free energy function is dependent on the second-order elastic deformation and on the state of defects. The tensorial measure of the defects is considered to be the Cartan torsion of the plastic connection and the disclination tensor. When we restrict to small elastic and plastic distortions, the measures of the incompatibility as well as the dislocation densities reduced to the classical ones in the linear elasticity. The constitutive equations for macroforces and the evolution equations for the plastic distortion and disclination tensor are provided to be compatible with the free energy imbalance principle.     

An invariant formulation for phase field models in ferroelectrics

This paper introduces an electro-mechanically coupled phase field model for ferroelectric domain evolution based on an invariant formulation for transversely isotropic piezoelectric material behavior. The thermodynamic framework rests upon Gurtin’s notion of a micro-force system in conjunction with an associated micro-force balance. This leads to a formulation of the second law, from which a generalized Ginzburg–Landau evolution equation is derived. The invariant formulation of the thermodynamic potential provides a consistent way to obtain the order parameter dependent elastic stiffness, piezoelectric, and dielectric tensor. The model is reduced to 2d and implemented into a finite element framework. The material constants used in the simulations are adapted to meet the thermodynamic condition of a vanishing micro-force. It is found that the thermodynamic potential taken from the literature has to be extended in order to avoid a loss of positive definiteness of the stiffness and the dielectric tensor. The small-signal response is investigated in the presence and in the absence of the additional regularizing terms in the potential. The simulations show the pathological behavior of the model in case these terms are not taken into account. The paper closes with microstructure simulations concerning a ferroelectric nanodot subjected to an electric field, a cracked single crystal, and a ferroelectric bi-crystal.     

On thermodynamic potentials in linear thermoelasticity

The four thermodynamic potentials, the internal energy u=u(ε_ij,s), the Helmholtz free energy f=f(ε_ij,T), the Gibbs energy g=g(σ_ij,T) and the enthalpy h=h(σ_ij,s) are derived, independently of each other, by using the Duhamel–Neumann extension of Hooke's law and an assumed linear dependence of the specific heat on temperature. A systematic procedure is then presented to express all thermodynamic potentials in terms of four possible pairs of independent state variables. This procedure circumvents a tedious transition from one potential to another, based on the formal change of variables, and inversions of the stress–strain and entropy–temperature relations. The general results are applied to uniaxial loading paths under isothermal, adiabatic, constant stress, and constant strain conditions. An interplay of adiabatic and isothermal elastic constants in the expressions for exchanged heat along certain thermodynamic paths is indicated.     

Chemical potential tensor for a two-phase continuous medium model

Relations for jumps of thermodynamic variables with allowance for inertial terms are derived under conditions of thermal equilibrium and in the absence of dissipation on the interphase surface. The notion of the chemical potential tensor is generalized for this case within the framework of the elastic continuous medium model. A thermodynamically well-posed definition of the chemical potential tensor is proposed for a class of two-phase models of deformable solids. __________ Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 46, No. 3, pp. 12–22, May–June, 2005.     

A dynamic subgrid-scale tensorial Eddy viscosity model

In the Navier-Stokes equations the removal of the turbulent fluctuating velocities with a frequency above a certain fixed threshold, employed in the Large Eddy Simulation (LES), causes the appearance of a turbulent stress tensor that requires a number of closure assumptions. In this paper insufficiencies are demonstrated for those closure models which are based on a scalar eddy viscosity coefficient. A new model, based on a tensorial eddy viscosity, is therefore proposed; it employs the Germano identity [1] and allows dynamical evaluation of the single required input coefficient. The tensorial expression for the eddy viscosity is deduced by removing the widely used scalar assumption of the high-frequency viscous dissipation and replacing it by its tensorial counterpart arising in the balance of the Reynolds stress tensor. The numerical simulations performed for a lid driven cavity flow show that the proposed model allows to overcome the drawbacks encountered by the scalar eddy viscosity models. Received November 25, 1997