Variational Phase Field Modeling of Laminate Deformation Microstructure in Finite Gradient Crystal Plasticity

The macroscopic mechanical behavior of many materials crucially depends on the formation and evolution of their microstructure. In this work, we consider the formation and evolution of laminate deformation microstructure in plasticity. Inspired by work on the variational modeling of phase transformation [5] and building on related work on multislip gradient crystal plasticity [9], we present a new finite strain model for the formation and evolution of laminate deformation microstructure in double slip gradient crystal plasticity. Basic ingredients of our model are a nonconvex hardening potential and two gradient terms accounting for geometrically necessary dislocations (GNDs) by use of the dislocation density tensor and regularizing the sharp interfaces between different kinematically coherent plastic slip states. The plastic evolution is described by means of a nonsmooth dissipation potential for which we propose a new regularization. We formulate a continuous gradient-extended rate-variational framework and discretize it in time to obtain an incremental-variational formulation. Discretization in space yields a finite element formulation which is used to demonstrate the capability of our model to predict the formation and evolution of laminate deformation microstructure in f.c.c. Copper with two active slip systems in the same slip plane. (© 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Heat Conduction in a Phase Field Model for Martensitic Transformation

We study the martensitic transformation with a phase field model, where we consider the Bain transformation path in a small strain setting. For the order parameter, interpolating between an austenitic parent phase and martensitic phases, we use a Ginzburg-Landau evolution equation, assuming a constant mobility. In [1], a temperature dependent separation potential is introduced. We use this potential to extend the model in [2], by considering a transient temperature field, where the temperature is introduced as an additional degree of freedom. This leads to a coupling of both the evolution equation of the order parameter and the mechanical field equations (in terms of thermal expansion) with the heat equation. The model is implemented in FEAP as a 4-node element with bi-linear shape functions. Numerical examples are given to illustrate the influence of the temperature on the evolution of the martensitic phase. (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A Phase Field Approach for Martensitic Transformations in Elastoplastic Materials

A multivariant phase field model for martensitic transformations in elastoplastic materials is introduced which is in mathematical terms the regularization of a sharp interface approach. The evolution of microstructure is assumed to follow a time dependent Ginzburg-Landau equation. The coupled problem of the mechanical balance equation and the evolution equations is solved using finite elements and an implicit time integration scheme. In this work, plasticity is considered for the austenitic phase which influences the martensitic evolution. With aid of the model these interactions are studied in detail. (© 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

岩土材料弹塑性正交异性损伤耦合本构理论

在不可逆热力学框架内建立了岩土材料的正交异性损伤塑性耦合宏观唯象本构理论。主要结果有：1）给出了耦合的塑性和损伤的演化律;2）从对含裂纹单元的细观分析入手,通过均匀化（Homogenization）处理,将损伤引入到Mohr-Coulomb条件下,模型同时考虑了损伤对剪切强度及摩擦角的影响,扩容现象则通过损伤应变来计算。     

A-stable Runge–Kutta methods for semilinear evolution equations

We consider semilinear evolution equations for which the linear part generates a strongly continuous semigroup and the nonlinear part is sufficiently smooth on a scale of Hilbert spaces. In this setting, we prove the existence of solutions which are temporally smooth in the norm of the lowest rung of the scale for an open set of initial data on the highest rung of the scale. Under the same assumptions, we prove that a class of implicit, A-stable Runge–Kutta semidiscretizations in time of such equations are smooth as maps from open subsets of the highest rung into the lowest rung of the scale. Under the additional assumption that the linear part of the evolution equation is normal or sectorial, we prove full order convergence of the semidiscretization in time for initial data on open sets. Our results apply, in particular, to the semilinear wave equation and to the nonlinear Schrödinger equation.     

Existence of solutions to a new model of biological pattern formation

In this paper we study the existence of classical solutions to a new model of skeletal development in the vertebrate limb. The model incorporates a general term describing adhesion interaction between cells and fibronectin, an extracellular matrix molecule secreted by the cells, as well as two secreted, diffusible regulators of fibronectin production, the positively-acting differentiation factor (“activator”) TGF-β, and a negatively-acting factor (“inhibitor”). Together, these terms constitute a pattern forming system of equations. We analyze the conditions guaranteeing that smooth solutions exist globally in time. We prove that these conditions can be significantly relaxed if we add a diffusion term to the equation describing the evolution of fibronectin.     

A micromechanical model for the transformation induced plasticity in polycrystalline steels

Due to the effect of transformation induced plasticity (TRIP) , TRIP-steels are very promising materials, e.g. for the automobile industry. The material behavior is characterized by very complex inner processes, namely phase transformation coupled with plastic deformation and kinematic hardening. We establish a micromechanical model which uses the volume fractions of the single phases, the plastic strain and the hardening parameter in every grain of the polycrystalline material as internal variables. Furthermore, we apply the Principle of the Minimum of the Dissipation Potential to derive the associated evolution equations. The use of a coupled dissipation functional and a combined Voigt/Reuss bound directly results in coupled evolution equations for the internal variables and in one combined yield function. Additionally, we show numerical results which prove our model's ability to give a first prediction of the TRIP-steels' complex material behavior. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Variational methods for fluids of Prandtl–Eyring type and plastic materials with logarithmic hardening

We study the slow steady‐state flow of a fluid of Prandtl–Eyring type and prove (partial) regularity of the strain velocity by investigating an appropriate variational problem. We further discuss local minimizers of variational integrals which occur in the theory of plasticity with logarithmic hardening. For this model we show that the deformation gradient in the three–dimensional case is smooth up to a closed set of vanishing Lebesgue measure. The paper also presents an introduction into various function spaces which are needed to formulate the problems. Copyright © 1999 John Wiley & Sons, Ltd.     

理想塑性问题中的一般方程、双调和方程和本征方程

本文推广了文[39]、[19]和[37]中关于理想塑性轴对称问题的结果,得到了三维理想塑性问题的一般方程。在引入量子电动力学中著名的Pauli矩阵后,本文以不同于文[7]的方法,使理想刚塑性材料的平面应变问题,最后归结为求解双调和方程。本文还以应力增量的偏张量为本征函数,导出了理想塑性问题的本征方程,从而使非线性成为线性方程的求解。     

Constitutive modeling of void-growth-based tensile ductile failures with stress triaxiality effects

In most metals and alloys, the evolution of voids has been generally recognized as the basic failure mechanism. Furthermore, stress triaxiality has been found to influence void growth dramatically. Besides strain intensity, it is understood to be the most important factor that controls the initiation of ductile fracture. We include sensitivity of stress triaxiality in a variational porous plasticity model, which was originally derived from hydrostatic expansion. Under loading conditions rather than hydrostatic deformation, we allow the critical pressure for voids to be exceeded so that the growth due to plasticity becomes dependent on the stress triaxiality. The limitations of the spherical void growth assumption are investigated. Our improved constitutive model is validated through good agreements with experimental data. Its capacity for reproducing realistic failure patterns is also indicated by a numerical simulation of a compact tensile (CT) test.     

On the equivalence of the Schrödinger and the quantum Liouville equations

We present a semigroup analysis of the quantum Liouville equation, which models the temporal evolution of the (quasi) distribution of an electron ensemble under the action of a scalar potential. By employing the density matrix formulation of quantum physics we prove that the quantum Liouville operator generates a unitary group on L² if the corresponding Hamiltonian is essentially self-adjoint. Also, we analyse the existence and non-negativity of the particale density and prove that the solutions of the quantum Liouville equation converge to weak solutions of the classical Liouville equation as the Planck constant tends to zero (assuming that the potential is sufficiently smooth).     

Modeling the evolution of microstructures in finite plasticity

Kochmann and Hackl introduced in [1] a micromechanical model for finite single crystal plasticity. Based on thermodynamic variational principles this model leads to a non-convex variational problem. Employing the Lagrange functional, an incremental strategy was outlined to model the time-continuous evolution of a first order laminate microstructure. Although this model provides interesting results on the material point level, due to the global minimization in the evolution equations, the calculation time and numerical instabilities may cause problems when applying this model to macroscopic specimens. In order to avoid these problems, a smooth transition zone between the laminates is introduced to avoid global minimization, which makes the numerical calculations cumbersome compared to the model in [1]. By introducing a smooth viscous transition zone, the dissipation potential and its numerical treatment have to be adapted. We obtain rate-dependent time-evolution equations for the internal variables based on variational techniques and show as an example single slip shear. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A finite elasto-plasticity model for thick adhesive layers based on generalized stress-strain measure

The collective term adhesives includes a wide field of materials with a diversity of different material properties. Regarding high-strength adhesives, the assumption of small strains often holds according to their brittle behavior. The experience with plasticity models based on the additive decomposition into elastic and inelastic strains indicates an appropriate approach to characterize such materials. In some cases, due to a more ductile material response, the assumption of infinitesimal strains is not valid anymore. In particular this is the case for high-strength adhesives with additives like rubber. But ductile behavior is also observed for specific stress states in one adhesive, e.g. when the behavior for tensile is quite brittle while large shear-strains could appear. The objective of this work is to overcome the theoretical restriction of small strains and to archive the practical experiences. For the failure criterion two stress invariants are used, which involves the hydrostatic pressure as well as the deviator stress state. The flowrule is introduced for the evolution of the inelastic variables. Herein the flow rule has to be of non-associated type to ensure the thermodynamical consistency of the model. The plasticity model also includes hardening as well as softening. The presented finite strain model makes use of the fact that the eigenvalues for Green-Lagrange strains and generalized strains are the same. Thus the limit of applicability is extended to finite strains. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Résolution mathématique d'équations décrivant l'évolution d'une surface d'un matériau contraint

We consider a cristal structure, constituted by an elastic substrate and a film with a small thickness. The lattice parameters between the film and the substrate are not the same; consequently, a strain appears in the structure. This strain generates morphologies(see [1,2]).The difficulty consists in finding the profile of the film-vapor surface at any time, which depends on the elastic displacement of the structure. To this end, a physical model, detailed in [2], consists in solving a coupled system of partial derivative equations. The unknowns are the elastic displacement of the structure and the profile of the evolution surface. The elastic displacement solves the linearized elasticity equations posed over the domain occupied by the structure. The boundary of this domain depends on the evolution surface. The second equation is the evolution equation, depending on the elastic displacement by a term of the surface energy. This model is greatly simplified in order to obtain a decoupled two-dimensional model: the map of the film-vapor surface solves a non-linear partial derivatives equation, which is independent of the displacement of the structure.In this Note, we give some results of the existence and uniqueness of a solution for this model under some assumptions about the first derivative of the map.     

Evolutionary dynamics of cancer:From epigenetic regulation to cell population dynamics——mathematical model framework,applications,and open problems

Predictive modeling of the evolutionary dynamics of cancer is a challenging issue in computational cancer biology. In this paper, we propose a general mathematical model framework for the evolutionary dynamics of cancer, including plasticity and heterogeneity in cancer cells. Cancer is a group of diseases involving abnormal cell growth, during which abnormal regulation of stem cell regeneration is essential for the dynamics of cancer development. In general, the dynamics of stem cell regeneration can be simplified as a G0 phase cell cycle model, which leads to a delay differentiation equation. When cell heterogeneity and plasticity are considered, we establish a differential-integral equation based on the random transition of epigenetic states of stem cells during cell division. The proposed model highlights cell heterogeneity and plasticity;connects the heterogeneity with cell-to-cell variance in cellular behaviors(for example, proliferation, apoptosis, and differentiation/senescence);and can be extended to include gene mutation-induced tumor development. Hybrid computational models are developed based on the mathematical model framework and are applied to the processes of inflammationinduced tumorigenesis and tumor relapse after chimeric antigen receptor(CAR)-T cell therapy. Finally, we propose several mathematical problems related to the proposed differential-integral equation. Solutions to these problems are crucial for understanding the evolutionary dynamics of cancer.     

Towards variational constitutive updates for finite strain plasticity models based on non-associative evolution equations

In this contribution, first steps towards variational constitutive updates for finite strain plasticity theory based on non-associative evolution equations are presented. These schemes allow to compute the unknown state variables such as the plastic part of the deformation gradient, together with the deformation mapping, by means of a fully variational minimization principle. Therefore, standard optimization algorithms can be applied to the numerical implementation leading to a very robust and efficient numerical implementation. Particularly, for highly non-linear, singular or nearly ill-posed physical models like that corresponding to crystal plasticity showing a large number of possible active slip planes, this is a significant advantage compared to standard constitutive updates such as the by now classical return-mapping algorithm. While variational constitutive updates have been successfully derived for associative plasticity models, their extension to more complex constitutive laws, particularly to those featuring non-associative evolution equations, is highly challenging. In the present contribution, a certain class of non-associative finite strain plasticity models is discussed and recast into a variationally consistent format. (© 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A Plasticity Principle of Convex Quadrilaterals on a Convex Surface of Bounded Specific Curvature

We derive the plasticity equations for convex quadrilaterals on a complete convex surface with bounded specific curvature and prove a plasticity principle which states that: Given four shortest arcs which meet at the weighted Fermat-Torricelli point their endpoints form a convex quadrilateral and the weighted Fermat-Torricelli point belongs to the interior of this convex quadrilateral, an increase of the weight corresponding to a shortest arc causes a decrease of the two weights that correspond to the two neighboring shortest arcs and an increase of the weight corresponding to the opposite shortest arc by solving the inverse weighted Fermat-Torricelli problem for quadrilaterals on a convex surface of bounded specific curvature. The invariance of the weighted Fermat-Torricelli point(geometric plasticity principle) and the plasticity principle of quadrilaterals characterize the evolution of quadrilaterals on a complete convex surface. Furthermore, we show a connection between the plasticity of convex quadrilaterals on a complete convex surface with bounded specific curvature with the plasticity of some generalized convex quadrilaterals on a manifold which is certainly composed by triangles. We also study some cases of symmetrization of weighted convex quadrilaterals by introducing a new symmetrization technique which transforms some classes of weighted geodesic convex quadrilaterals on a convex surface to parallelograms in the tangent plane at the weighted Fermat-Torricelli point of the corresponding quadrilateral. This geometric method provides some pattern for the variable weights with respect to the 4-inverse weighted Fermat-Torricelli problem such that the weighted Fermat-Torricelli point remains invariant. By introducing the notion of superplasticity, we derive as an application of plasticity the connection between the Fermat-Torricelli point for some weighted kites with the fundamental equation of P. de Fermat for real exponents in the two dimensional Euclidean space. By using as an initial condition to the 3 body problem the solution of the 3-inverse weighted Fermat-Torricelli problem we give some future perspectives in plasticity, in order to derive new periodic solutions (chronotrees). We conclude with some philosophical ideas regarding Leibniz geometric monad in the sense of Euclid which use as an internal principle the plasticity of quadrilaterals.     

Anisotropic curvature-driven flow of convex sets

We study in this paper the mean curvature evolution, and in particular the anisotropic mean curvature evolution, of convex sets in R^N${\mathbb{R}}^N$ (without driving forces). If the anisotropy is smooth, we show that the evolution remains convex. If the anisotropy is crystalline, we build a convex evolution which satisfies an equation which is a weak form of the crystalline curvature motion equation.     

Nonlinear behavior of model equations which are linearly ill-posed

We discuss two model equations of nonlinear evolution which demonstrate that linearly ill-posed problems may be well-posed in a mild sense. For the nonlocal equation (1.4), smooth solutions exist for all time, are unique, and depend continuously on the initial data in low norms. For the partial differential equation (1.1), solutions always exist; we do not know whether they are unique, but if they are, they also have continuous dependence on data. The large-time behavior of solutions and other qualitative properties are discussed