A Regularized Sharp Interface Model for Martensitic Phase Transformations at Large Strains

The macroscopic mechanical behavior of many functional materials crucially depends on the formation and evolution of their microstructure. When considering martensitic shape memory alloys, this microstructure typically consists of laminates with coherent twin boundaries. We suggest a variational-based phase field model for the dissipative evolution of microstructure with coherence-dependent interface energy and construct a suitable gradient-extended incremental variational framework for the proposed dissipative material. We use our model to predict laminate microstructure in martensitic CuAlNi. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

On a Sharp Interface Model for Phase Transitions in Steel

Steel is one of the most widely used materials in the world with a broad spectrum of properties. The microstructure and the distribution of the different phases are of great importance, since they each possess different properties. A sharp interface model for the austenite-ferrite phase transition is presented. Mechanical effects due to eigenstrains resulting from the different densities of the phases are taken into account. The governing PDEs in each phase are a diffusion equation for the carbon concentration and the balance of momentum. Across the free interface, separating the two phases, the physical quantities may have discontinuities, which are controlled by jump conditions. Consistency of the model with the 2nd law of thermodynamics is shown. Numerical simulations for these types of free boundary problems are quite complex and involve appropriate methods to determine the interface position. One possibility to circumvent the explicit determination of the free boundary is the use of regularization techniques in form of phase field methods, where the interface is tracked implicitly. (© 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Existence of weak solutions for a non-classical sharp interface model for a two-phase flow of viscous,incompressible fluids

We introduce a new sharp interface model for the flow of two immiscible, viscous, incompressible fluids. In contrast to classical models for two-phase flows we prescribe an evolution law for the interfaces that takes diffusional effects into account. This leads to a coupled system of Navier–Stokes and Mullins–Sekerka type parts that coincides with the asymptotic limit of a diffuse interface model. We prove the long-time existence of weak solutions, which is an open problem for the classical two-phase model. We show that the phase interfaces have in almost all points a generalized mean curvature.     

Isogeometric Analysis of a Phase Field Model for Darcy Flows with Discontinuous Data

The authors consider a phase field model for Darcy flows with discontinuous data in porous media; specifically,they adopt the Hele-Shaw-Cahn-Hillard equations of[Lee,Lowengrub,Goodman,Physics of Fluids,2002] to model flows in the Hele-Shaw cell through a phase field formulation which incorporates discontinuities of physical data,namely density and viscosity,across interfaces. For the spatial approximation of the problem,the authors use NURBS—based isogeometric analysis in the framework of the Galerkin method,a computational framework which is particularly advantageous for the solution of high order partial differential equations and phase field problems which exhibit sharp but smooth interfaces. In this paper,the authors verify through numerical tests the sharp interface limit of the phase field model which in fact leads to an internal discontinuity interface problem; finally,they show the efficiency of isogeometric analysis for the numerical approximation of the model by solving a benchmark problem,the so-called"rising bubble" problem.     

Numerical analysis for phase field simulations of moving interfaces with topological changes

Phase field methods are a widely accepted tool for the approximation of moving free interfaces in sharp interface problems. Topological changes in the solution, such as nucleation or vanishing of particles or merging or pinching of interfaces, lead to singularities in the free boundary. In the sharp interface model, these singularities cause both numerical and theoretical problems, whereas they are handled “automatically” in phase field simulations. Phase field models contain a length scale ε > 0 that vanishes in the sharp interface limit. Therefore, when ε → 0, practical numerical methods have to be robust in the sense that error estimates may only depend polynomially on ε^-1, not exponentially. We show that robust error control is possible past the occurrence of topological changes and without restrictive assumptions on the initial data. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

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)     

Kinks in two-phase lipid bilayer membranes

Common models for two-phase lipid bilayer membranes are based on an energy that consists of an elastic term for each lipid phase and a line energy at interfaces. Although such an energy controls only the length of interfaces, the membrane surface is usually assumed to be at least C ¹ across phase boundaries. We consider the spontaneous curvature model for closed rotationally symmetric two-phase membranes without excluding tangent discontinuities at interfaces a priorily. We introduce a family of energies for smooth surfaces and phase fields for the lipid phases and derive a sharp interface limit that coincides with the Γ-limit on all reasonable membranes and extends the classical model by assigning a bending energy also to tangent discontinuities. The theoretical result is illustrated by numerical examples.     

Diffuse Interface Methods for Multiple Phase Materials: An Energetic Variational Approach

In this paper, we introduce a diffuse interface model for describing the dynamics of mixtures involving multiple (two or more) phases. The coupled hydrodynamical system is derived through an energetic variational approach. The total energy of the system includes the kinetic energy and the mixing (interfacial) energies. The least action principle (or the principle of virtual work) is applied to derive the conservative part of the dynamics, with a focus on the reversible part of the stress tensor arising from the mixing energies. The dissipative part of the dynamics is then introduced through a dissipation function in the energy law, in line with Onsager's principle of maximum dissipation. The final system, formed by a set of coupled time-dependent partial differential equations, reflects a balance among various conservative and dissipative forces and governs the evolution of velocity and phase fields. To demonstrate the applicability of the proposed model, a few two-dimensional simulations have been carried out, including (1) the force balance at the three-phase contact line in equilibrium, (2) a rising bubble penetrating a fluid-fluid interface, and (3) a solid particle falling in a binary fluid. The effects of slip at solid surface have been examined in connection with contact line motion and a pinch-off phenomenon.     

An $L^{\infty}$ Second Order Cartesian Method for 3D Anisotropic Interface Problems

A second order accurate method in the infinity norm is proposed for general three dimensional anisotropic elliptic interface problems in which the solution and its derivatives, the coefficients, and source terms all can have finite jumps across one or several arbitrary smooth interfaces. The method is based on the 2D finite element-finite difference (FE-FD) method but with substantial differences in method derivation, implementation, and convergence analysis. One of challenges is to derive 3D interface relations since there is no invariance anymore under coordinate system transforms for the partial differential equations and the jump conditions. A finite element discretization whose coefficient matrix is a symmetric semi-positive definite is used away from the interface; and the maximum preserving finite difference discretization whose coefficient matrix part is an M-matrix is constructed at irregular elements where the interface cuts through. We aim to get a sharp interface method that can have second order accuracy in the point-wise norm. We show the convergence analysis by splitting errors into several parts. Nontrivial numerical examples are presented to confirm the convergence analysis.     

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)     

On domain switching in deformable ferroelectrics, seen as continua with microstructure

We obtain a three-dimensional continuum model for deformable ferroelectric bodies in their polar phase characterized by a spontaneous polarization. This is accomplished by assuming the body as comprised of a continuum with vectorial microstructure: in each point of the body therefore a gross and a fine structure are superposed, the gross structure representing a non linear polarizable elastic body and the vectorial fine structure describing the spontaneous polarization.¶Among the distinctive features of ferroelectric materials, the most interesting is represented by the organization of spontaneous polarization into a domain structure, which minimizes electrostatic energy and which can be modified by the application of electric and deformation fields. This process, called "polarization reversal" or "domain switching", is associated with various hysteresis loops, the most typical being those between spontaneous polarization and electric field (dielectric hysteresis), and between strain and electric field ("butterfly" loop).¶From the balance laws of continua with vectorial microstructure and dissipation inequality we arrive at the evolution equation for the spontaneous polarization which allows for both inertial and dissipative terms and describes domain switching. We postulate a simple interaction mechanism between the spontaneous polarization and the pair electric field, deformation and arrive at, in the quasi-static case, to a minimization problem for a functional which reminds the micromagnetic energy of deformable ferromagnetics.¶For linearized kinematics we study, in the one-dimensional case, stable relative minimizers and give a simple justification for dielectric hysteresis and butterfly loops: under the hypothesis that the domain walls are sharp interfaces, the solutions we find explain the banded twin domains morphology which is typical of many ferroelectrics.     

A numerical scheme for regularized anisotropic curve shortening flow

Realistic interfacial energy densities are often non-convex, which results in backward parabolic behavior of the corresponding anisotropic curve shortening flow, thereby inducing phenomena such as the formation of corners and facets. Adding a term that is quadratic in the curvature to the interfacial energy yields a regularized evolution equation for the interface, which is fourth-order parabolic. Using a semi-implicit time discretization, we present a variational formulation of this equation, which allows the use of linear finite elements. The resulting linear system is shown to be uniquely solvable. We also present numerical examples.     

A phase field model for martensitic transformations with a temperature-dependent separation potential

Metallic materials often exhibit a complex microstructure with varying material properties in the different phases. Of major importance in mechanical engineering is the evolution of the austenitic and martensitic phases in steel. The martensitic transformation can be induced by heat treatment or by plastic surface deformation at low temperatures. A two dimensional elastic phase field model for martensitic transformations considering several martensitic orientation variants to simulate the phase change at the surface is introduced in [1]. However here, only one martensitic orientation variant is considered for the sake of simplicity. The separation potential is temperature dependent. Therefore, the coefficients of the Landau polynomial are identified by results of molecular dynamics (MD) simulations for pure iron [1]. The resulting separation potential is applied to analyse the mean interface velocity with respect to temperature and load. The interface velocity is computed by use of the dissipative part to the configurational forces balance as suggested in [3]. The model is implemented in the finite element code FEAP using standard 4-node elements with bi-linear shape functions. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

超音速尖锥边界层中扰动演化特征的数值研究

采用高精度紧致格式, 对超音速尖锥边界层中二维扰动的空间演化, 进行了直接数值模拟．结果表明,虽然尖锥边界层流动存在一定的锥面法向速度,但小扰动的幅值及相位的演化都与由平行流假设得到的线性理论结果吻合．还研究了有限幅值扰动的演化,给出了其演化规律．并在扰动幅值增长到一定值时,发现了小激波．     

Weak solutions to a model with elasticity energy for electrochemically induced phase transitions in Lithium-Ion batteries

Using olivine LiFePO₄ as a model system, we study the existence of global solutions to a phase-field model with elasticity energy for Lithium-Ion batteries, which consists of a linear elasticity sub-system and nonlinear evolution equations for the order parameter and the lithium concentration. This model can be described the evolving microstructure for electrochemically induced phase transitions in electrochemical storage. Our numerical experiments are carried out to simulate the evolutions of lithium concentration and of phase interfaces for the model.     

Towards Riccati-Feedback Control of Complex Flows with Moving Interfaces

Problems featuring moving interfaces appear in many applications. They can model solidification and melting of pure materials, crystal growth and other multi-phase problems. The control of the moving interface enables to, for example, influence production processes and, thus, the product material quality. We consider the two-phase Stefan problem that models a solid and a liquid phase separated by the moving interface. In the liquid phase, the heat distribution is characterized by a convection-diffusion equation. The fluid flow in the liquid phase is described by the Navier–Stokes equations which introduces a differential algebraic structure to the system. The interface movement is coupled with the temperature through the Stefan condition, which adds additional algebraic constraints. Our formulation uses a sharp interface representation and we define a quadratic tracking-type cost functional as a target of a control input. We compute an open loop optimal control for the Stefan problem using an adjoint system. For a feedback representation, we linearize the system about the trajectory defined by the open loop control. This results in a linear-quadratic regulator problem, for which we formulate the differential Riccati equation with time varying coefficients. This Riccati equation defines the corresponding feedback gain. Further, we present the feedback formulation that takes into account the structure and the differential algebraic components of the problem. Also, we discuss how the complexities that come, for example, with mesh movements, can be handled in a feedback setting. (© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Numerical simulations for a seawater intrusion problem in a free aquifer

We simulate a sharp interface model issuing from a seawater intrusion problem in a free aquifer. We model the evolution of the sea front and of the upper free surface of the aquifer. We use a P1 finite element method for the space discretization combined with a semi-implicit in time scheme.     

具有对数势能的Cahn-Hilliard方程的有限元算法

本文我们提出了具有对数势能的Cahn-Hilliard方程,在空间上采用混合有限元方法进行离散,时间上采用Crank-Nicolson格式.运用正则性,将对数势能函数F(u)的定义域的范围由(-1,1)扩展到(-∞,∞).证明该方法是能量耗散的,并计算误差估计,最后通过数值算例对理论部分进行验证.结果表明,理论与数值算...