Size effects in martensitic microstructures: Finite-strain phase field model versus sharp-interface approach

A finite-strain phase field model for martensitic phase transformation and twinning in shape memory alloys is developed and confronted with the corresponding sharp-interface approach extended to interfacial energy effects. The model is set in the energy framework so that the kinetic equations and conditions of mechanical equilibrium are fully defined by specifying the free energy and dissipation potentials. The free energy density involves the bulk and interfacial energy contributions, the latter describing the energy of diffuse interfaces in a manner typical for phase-field approaches. To ensure volume preservation during martensite reorientation at finite deformation within a diffuse interface, it is proposed to apply linear mixing of the logarithmic transformation strains. The physically different nature of phase interfaces and twin boundaries in the martensitic phase is reflected by introducing two order-parameters in a hierarchical manner, one as the reference volume fraction of austenite, and thus of the whole martensite, and the second as the volume fraction of one variant of martensite in the martensitic phase only. The microstructure evolution problem is given a variational formulation in terms of incremental fields of displacement and order parameters, with unilateral constraints on volume fractions explicitly enforced by applying the augmented Lagrangian method. As an application, size-dependent microstructures with diffuse interfaces are calculated for the cubic-to-orthorhombic transformation in a CuAlNi shape memory alloy and compared with the sharp-interface microstructures with interfacial energy effects.     

Coupled ghost fluid/two‐phase level set method for curvilinear body‐fitted grids

A coupled ghost fluid/two‐phase level set method to simulate air/water turbulent flow for complex geometries using curvilinear body‐fitted grids is presented. The proposed method is intended to treat ship hydrodynamics problems. The original level set method for moving interface flows was based on Heaviside functions to smooth all fluid properties across the interface. We call this the Heaviside function method (HFM). The HFM requires fine grids across the interface. The ghost fluid method (GFM) has been designed to explicitly enforce the interfacial jump conditions, but the implementation of the jump conditions in curvilinear grids is intricate. To overcome these difficulties a coupled GFM/HFM method was developed in which approximate jump conditions are derived for piezometric pressure and velocity and pressure gradients based on exact continuous velocity and stress and jump in momentum conditions with the jump in density maintained but continuity of the molecular and turbulent viscosities imposed. The implementation of the ghost points is such that no duplication of memory storage is necessary. The level set method is adopted to locate the air/water interface, and a fast marching method was implemented in curvilinear grids to reinitialize the level set function. Validations are performed for three tests: super‐ and sub‐critical flow without wave breaking and an impulsive plunging wave breaking over 2D submerged bumps, and the flow around surface combatant model DTMB 5512. Comparisons are made against experimental data, HFM and single‐phase level set computations. The proposed method performed very well and shows great potential to treat complicated turbulent flows related to ship flows. Copyright © 2007 John Wiley & Sons, Ltd.     

The chemo-mechanical coupling behavior of hydrogels incorporating entanglements of polymer chains

To describe precisely the chemo-mechanical coupling behavior of hydrogels, a general form of free energy density function is presented by considering chain entanglements and functionality of junctions. We use the chemical potential of the solvent and the deformation gradient of the network as the independent variables of the developed free energy function, and implement this material model in the finite element package, ABAQUS, to analyze several examples of chemo-mechanical equilibrium deformation behaviors of hydrogels. The influence of chain entanglements and junction functionality on the chemo-mechanical behavior of hydrogels is addressed based on our simulation. With the coded subroutine UHYPER, this work may provide a numerical tool to study complex phenomena in hydrogels.     

化学-力学耦合理论与数值方法

该文研究了化学场中的质量扩散与力学耦合问题,构造了化-力耦合情况下的力学本构关系与质量扩散的本构关系,并由这些本构关系和化学场、力学场的控制方程,得到化-力场耦合的有限元方程.通过数值算例,详细分析了由应力场引起的质量重分布和由化学场引起的结构变形.研究表明,力学与化学之间存在明显的相互作用,并采用有限元数值方法进行了分析.     

A theory and a simulation capability for the growth of a solid electrolyte interphase layer at an anode particle in a Li-ion battery

A major mechanism for electrochemical aging of Li-ion batteries is the growth of a solid electrolyte interphase (SEI) layer on the surface of anode particles, which leads to capacity fade and also results in a rise in cell resistance. We have formulated a continuum theory for the growth of an SEI layer—a theory which accounts for the generation of the attendant growth stresses. The theory has been numerically implemented in a finite-element program. This simulation capability for SEI growth is coupled with our previously published chemo-mechanical simulation capability for intercalation of Li-ions in electrode particles. Using this new combined capability we have simulated the formation and growth of an SEI layer during cyclic lithiation and delithiation of an anode particle, and predicted the evolution of the growth stresses in the SEI layer. The evolution of the stress state within the SEI layer and at the SEI/anode-particle interface for spherical- and spheroidal-shaped graphite particles is studied. This knowledge of the local interfacial stresses provides a good estimate for the propensity of potential delamination of an SEI layer from an anode particle.     

Extension of the volume-of-fluid method for analysis of free surface viscous flow in an ideal gas

The volume-of-fluid (VOF) method is a simple and robust technique for simulating free surface flows with large deformations and intersecting free surfaces. Earlier implementations used Laplace's formula for the normal stress boundary condition at the interface between the liquid and vapour phases. We have expanded the interfacial boundary conditions to include the viscous component of the normal stress in the liquid phase and, in a limited manner, to allow the pressure in the vapour phase to vary. Included are sample computations that show the accuracy of added third-order-accurate differencing schemes for the convective terms in the Navier-Stokes equation (NSE), the viscous terms in the normal stress at the interface and the solution of potential flow in the vapour phase coupled with the solution of the NSE in the liquid phase. With these modifications we show that the VOF method can accurately predict the instability of a thin viscous sheet flowing through a stagnant vapour phase.     

一种化学-力学耦合连续介质理论与数值格式

对化学驱动的连续介质化学-力学耦合系统进行研究,从热力学定律和化学势角度出发,推导了等温过程的化学-力学耦合本构关系和控制方程,利用变分方法建立了化学-力学耦合系统的能量泛函,得到化学-力学耦合控制方程的等效积分形式和相应的有限元列式. 结合算例,对连续介质的化学-力学耦合行为进行了数值计算,数值结果反映了化学与力学系统的相互耦合作用,即浓度变化能引起介质的变形,同样力学作用也能引起浓度重分布. 从全新的角度建立了描述连续介质的化学-力学耦合行为的基本理论和数值方法,能够较好地反映一类连续介质的化学-力学耦合行为.      

一种基于数字图像的表面张力测量方法——悬滴法

介绍了悬滴法测量表面张力的基本原理。通过重力作用下被悬挂液滴外形与表面/界面张力之间的关系,本文开发了一套基于该思想的表面张力测量装置及相应的数据处理软件。对水、无水乙醇以及两者混合物的表面张力测量及误差的分析结果显示,对于低粘度液体而言,该方法具有简便、精确、成本低廉等显著特点。     

Efficient solving method for unsteady incompressible interfacial flow problems

Unsteady interfacial problems, considered in an Eulerian form, are studied. The phenomena are modeled using the incompressible viscous Navier–Stokes equations to get the velocity field and an advection equation to predict interface evolutions. The momentum equation is solved by means of an implicit hybrid augmented Lagrangian–Projection method, whereas an explicit characteristic method coupled with a TVD SUPERBEE scheme is applied to the advection equation. The velocity components and the pressure are discretized on staggered grids with finite volumes. Emphasis is on the accuracy and robustness of the techniques described before. A precise explanation on the validation phase will be given, which uses such tests as the advection of a step function or Zalesak's problem to improve the calculation of the interface. The global approach is used on a physically hard interfacial test with strong disparities between viscosities and densities. Copyright © 1999 John Wiley & Sons, Ltd.     

Equilibrium of Phases with Interfacial Energy: A Variational Approach

The paper proves the existence of equilibrium two phase states with elastic solid bulk phases and deformation dependent interfacial energy. The states are pairs (y,E) consisting of the deformation y on the body and the region E occupied by one of the phases in the reference configuration. The bulk energies of the two phases are polyconvex functions representing two wells of the substance. The interfacial energy is interface polyconvex. The last notion is introduced and discussed below, together with the interface quasiconvexity and interface null Lagrangians. The constitutive theory and equilibrium theory of the interface are discussed in detail under appropriate smoothness hypotheses. Various forms of the interfacial stress relations for the standard and configurational (Eshelby) interfacial stresses are established. The equilibrium equations are derived by a variational argument emphasizing the roles of outer and inner variations.     

Interfacial stress analysis and prediction of debonding for a thin plate bonded to a curved substrate

This paper focuses on the analytical and numerical modeling of the interface between a rigid substrate with simple constant curvature and a thin bonded plate. The interfacial behavior is modeled by independent cohesive laws in the normal and tangential directions, coupled with a mixed-mode fracture criterion. The newly developed analytical model determines the interfacial shear and normal stress distributions as functions of the substrate curvature, during the various behavioral stages of the interface prior to the initiation of debonding. The model is also able to predict the debonding load and the effective bond length. In the numerical model the interface is modeled by zero-thickness node-to-segment contact elements, in which both the geometrical relationships between the nodes of the discretized problem and the interface constitutive laws are suitably defined. Numerical results and comparisons between the predictions of the two models are presented.     

Nonlinear analysis of compressed elastic thin films on elastic substrates: From wrinkling to buckle-delamination

Nonlinear buckling of elastic thin films on compliant substrates is studied by modeling and simulations to reveal the roles of pre-strain, elastic modulus ratio, and interfacial properties in morphological transition from wrinkles to buckle-delamination blisters. The model integrates an interfacial cohesive zone model with the Föppl–von Kármán plate theory and Green function method within the general framework of energy minimization. A kinetics approach is developed for numerical simulations. Subject to a uniaxial pre-strain, the numerical simulations confirm the analytically predicted critical conditions for onset of wrinkling and wrinkle-induced delamination, with which a phase diagram is constructed. It is found that, with increasing pre-strain, the equilibrium configuration evolves from flat to wrinkles, to concomitant wrinkles and buckle-delamination, and to an array of parallel straight blisters. The height and width of the buckle-delamination blisters can be approximately described by a set of scaling laws with respect to the pre-strain and interfacial toughness. Subject to an equi-biaxial pre-strain, the critical conditions are determined numerically to construct a similar phase diagram for the buckling modes. Moreover, by varying the pre-strain, modulus ratio, and interfacial toughness, a rich variety of equilibrium configurations are simulated, including straight blisters, and network blisters with or without wrinkles. These results provide considerable insight into diverse surface patterns in layered material systems as a result of the mechanical interactions between the film and the substrate through their interface, which suggests potential control parameters for designing specific surface patterns.     

反平面剪切作用下双材料滑动界面的细观力学模型

非理想粘结界面对多相材料力学性能具有重要影响。对于双材料间含众多随机分布微裂纹的界面，宏观上可以等效为连续损伤的弱界面，其两侧的面力连续而位移有间断。只有切线方向的位移间断，而法线方向位移连续的弱界面称之为滑动界面。在反平面剪切的作用下，我们证明了对于含有随机分布微裂纹的弹性双材料界面在宏观上等效为线弹簧型滑动界面，并获得了滑动界面柔度的一般表达式。利用Mori—Tanaka方法和广义自洽方法，我们研究了滑动界面柔度系数和微裂纹密度的关系。对这两种方法所得的结果进行比较发现，Mori—Tanaka方法得到的界面柔度比广义自洽方法得到的界面柔度大。当裂纹密度比较小时，这两种方法求得的界面柔度很接近。两种方法的结果都表明，界面柔度随裂纹密度的增加而增加。Mori—Tanaka方法比广义自治方法求解更为简便。     

连续胶体材料化学-力学耦合有限元理论及其在ABAQUS中UEL程序实现

基于哈密顿原理,得到水凝胶的化学-力学耦合控制方程的等效积分形式和有限元形式。在整体坐标系下推导出用形函数表示的化学-力学耦合应变矩阵和单元刚度矩阵,并且得到在局部坐标系下的离散化形式。结合ABAQUS软件,编制了用户单元子程序UEL,通过数值算例验证了所开发单元的正确性,为在ABAQUS软件中实现各种耦合问题的有限元UEL编程提供了参考依据。     

Interaction between a screw dislocation and an elastic elliptical inhomogeneity with interfacial cracks

The elastic interaction between a screw dislocation and an elliptical inhomogeneity with interfacial cracks is studied. The screw dislocation may be located outside or inside the inhomogeneity. An efficient complex variable method for the complex multiply connected region is developed, and the general solutions to the problem are derived. As illustrative examples, solutions in explicit series form for complex potentials are presented in the case of one or two interfacial cracks. Image forces on the dislocation are calculated by using the Peach-Koehler formula. The influence of crack geometries and material properties on the image forces is evaluated and discussed. It is shown that the interfacial crack has a significant effect on the equilibrium position of the dislocation near an elliptical-arc interface. The main results indicate, when the length of the crack goes up to a critical value, the presence of the interfacial crack can change the interaction mechanism between a screw dislocation and an elliptical inclusion. The present solutions can include a number of previously known results as special cases.The project supported by the National Natural Science Foundation of China(10272009 and 10472030) and the Natural Science Foundation of Hunan Province(02JJY2014)     

Volume preserving immersed boundary methods for two‐phase fluid flows

In this article, we propose a simple area‐preserving correction scheme for two‐phase immiscible incompressible flows with an immersed boundary method (IBM). The IBM was originally developed to model blood flow in the heart and has been widely applied to biofluid dynamics problems with complex geometries and immersed elastic membranes. The main idea of the IBM is to use a regular Eulerian computational grid for the fluid mechanics along with a Lagrangian representation of the immersed boundary. Using the discrete Dirac delta function and the indicator function, we can include the surface tension force, variable viscosity and mass density, and gravitational force effects. The principal advantage of the IBM for two‐phase fluid flows is its inherent accuracy due in part to its ability to use a large number of interfacial marker points on the interface. However, because the interface between two fluids is moved in a discrete manner, this can result in a lack of volume conservation. The idea of an area preserving correction scheme is to correct the interface location normally to the interface so that the area remains constant. Various numerical experiments are presented to illustrate the efficiency and accuracy of the proposed conservative IBM for two‐phase fluid flows. Copyright © 2011 John Wiley & Sons, Ltd.     

Numerical prediction of droplet dynamics in turbulent flow,using the level set method

In the present article, the droplet dynamics in turbulent flow is numerically predicted. The modelling is based on an interfacial marker-level set (IMLS) method, coupled with the Reynolds-averaged Navier–Stokes (RANS) equations to predict the dynamics of turbulent two-phase flow. The governing equations for time-dependent, two-dimensional and incompressible two-phase flow are described in both phases and solved separately using a control volume approach on structured cell-centred collocated grids. The topological changes of the interface are predicted by applying the level set approach. The kinematic and dynamic conditions on the interface separating the two phases are satisfied. The numerical method proposed is validated against a well-known computational fluid dynamics problem. Further, the deformation and breakup of a single droplet either suddenly moved in air or exposed to turbulent stream are numerically investigated. In general, the developed numerical method demonstrates remarkable capability in predicting the characteristics of complex turbulent two-phase flows.     

直升机旋翼／机身耦合系统的气弹响应分析（二）方程的求解

在文（一）得到的直升机旋翼系统运动方程的基础上,运用动态子结构的方法对旋翼系统和机身作为相对独立的部分进行分析,通过界布的力平衡和几何协调将子系统耦合系统整体系统,用分割－迭代法求解直至旋翼系统和机身的响应同时收敛到精度要求,并研制相应的计算程序,给出了工程算例。     

一种考虑界面相物性影响的界面单元法

界面是由复杂的界面相简化而成的,界面破坏实际是界面相材料的破坏。数值计算为了方便,如经典模型和内聚力模型等,都把很薄的界面相作无厚度化处理。导致只能考虑界面的面力,而无法考虑界面相内的应力(平行于界面方向的应力)。使界面失效准则先天性地排除了界面相内部应力的影响,从界面相材料失效机理的角度来看这是不够严谨的。本文将界面相材料等效为一种弹性连续体,由界面本构关系推导得到了一种新的界面单元。该单元具有界面参数易确定、对界面相物性可以进行等效描述等优点。通过商用有限元软件ABAQUS和用户子程序UEL实现了数值分析,并与直接物理模型的数值模拟结果进行对比,证明了本方法的简便及准确性。通过对不同界面相厚度结构的进一步分析,探讨了本文方法的可行范围。     

多孔介质的热-电-化-力学耦合理论及应用

本文针对自然界中不同种类的多孔介质,评述了包含化学效应的多场耦合力学问题的国外内研究现状.介绍了研究多场耦合问题的理论架构,并基于唯象理论和热力学理论,建立了一般性的热-电-化-力学多场耦合理论,在此基础上简化为化学-力学耦合理论,利用相应的控制方程和本构关系, 给出了线性耦合系统的变分原理,并证明了化学-力学耦合理论架构的封闭性. 基于所提出的化-力耦合模型,通过数值算例解释了多孔介质中的化学-力学耦合现象.最后对多孔介质,特别是对活体生物软组织中的多场耦合研究中存在的问题进行了讨论,并展望了本领域的未来发展趋势.