H.K. Mebatsion¹, P. Verboven¹, Q. T. Ho¹, F. Mendoza¹, B. E. Verlinden², T. A. Nguyen¹, B. M. Nicolaï^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.14, No.1, pp. 1-14, 2006, DOI:10.3970/cmes.2006.014.001

Abstract Modeling plant microstructure is of great interest to food engineers to study and explain material properties related to mass transfer and mechanical deformation. In this paper, a novel ellipse tessellation algorithm to generate a 2D geometrical model of apple tissue is presented. Ellipses were used to quantify the orientation and aspect ratio of cells on a microscopic image. The cell areas and centroids of each cell were also determined by means of a numerical procedure. These characteristic quantities were then described by means of probability density functions. The model tissue geometry was generated from the ellipses, which were truncated when… More >

T. Hasebe¹

CMES-Computer Modeling in Engineering & Sciences, Vol.11, No.3, pp. 145-156, 2006, DOI:10.3970/cmes.2006.011.145

Abstract This paper presents recent achievements in field theoretical approach toward substantial linkage among key hieratical scales dominating polycrystalline plasticity of metals and alloys. Major ingredients of the theory are briefly shown first, which is followed by several overwhelming results and some implications including key factors for dislocation cell structure evolution, key features of polycrystalline plasticity and their rational modeling in crystal plasticity-based constitutive equation. More >

Leonid V. Zhigilei¹, Avinash M. Dongare¹

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.5, pp. 539-556, 2002, DOI:10.3970/cmes.2002.003.539

Abstract Computational modeling has a potential of making an important contribution to the advancement of laser-driven methods in nanotechnology. In this paper we discuss two computational schemes developed for simulation of laser coupling to organic materials and metals and present a multiscale model for laser ablation and cluster deposition of nanostructured materials. In the multiscale model the initial stage of laser ablation is reproduced by the classical molecular dynamics (MD) method. For organic materials, the breathing sphere model is used to simulate the primary laser excitations and the vibrational relaxation of excited molecules. For metals, the two temperature model coupled to… More >

Jiaoyan Li¹, Xianqiao Wang², James D. Lee¹

CMES-Computer Modeling in Engineering & Sciences, Vol.85, No.5, pp. 463-480, 2012, DOI:10.3970/cmes.2012.085.463

Abstract This paper presents a novel multiple time scale algorithm integrated with the concurrent atomic/atom-based continuum modeling, which involves molecular dynamic (MD) simulation and coarse-grained molecular dynamic (CG-MD) simulation. To capture the key features of the solution region while still considering the computational efficiency, we decompose it into two sub-regions in space and utilize the central difference method with different time steps for different sub-regions to march on in time. Usually, the solution region contains a critical field and a non-critical far field. For the critical field (named atomic region) modeled by MD simulation, a relatively small time step is used… More >

Lianhua Ma¹, Bernard F. Rolfe², Qingsheng Yang^1,3, Chunhui Yang^2,3

CMES-Computer Modeling in Engineering & Sciences, Vol.79, No.2, pp. 131-158, 2011, DOI:10.3970/cmes.2011.079.131

Abstract For fluid-filled closed cell composites widely distributed in nature, the configuration evolution and effective elastic properties are investigated using a micromechanical model and a multiscale homogenization theory, in which the effect of initial fluid pressure is considered. Based on the configuration evolution of the composite, we present a novel micromechanics model to examine the interactions between the initial fluid pressure and the macroscopic elasticity of the material. In this model, the initial fluid pressure of the closed cells and the corresponding configuration can be produced by applying an eigenstrain at the introduced fictitious stress-free configuration, and the pressure-induced initial microscopic… More >

Xiaowei Zeng¹

CMES-Computer Modeling in Engineering & Sciences, Vol.74, No.3&4, pp. 183-202, 2011, DOI:10.3970/cmes.2011.074.183

Abstract This paper presents an atomistic field theory and its application in modeling and simulation of nano/micro materials. Atomistic formulation and finite element implementation of the atomistic field theory is briefly introduced. Numerical simulations based on the field theory are performed to investigate the material behaviors of bcc iron at coarse-grained scale and we have obtained the mechanical strength and elastic modulus, which are in good agreement with results by first principles calculations. Also the nanoscale deformation and failure mechanism are revealed in bcc iron nanorods under simple tension. It is interesting to observe that under tensile loading, iron has gone… More >

H.W. Zhang^1,2, J. Lv¹, Y.G. Zheng¹

CMES-Computer Modeling in Engineering & Sciences, Vol.68, No.1, pp. 55-94, 2010, DOI:10.3970/cmes.2010.068.055

Abstract A new multiscale computational method named as extended multiscale finite element method is proposed for the mechanical analysis of closed liquid cell materials. The numerical base functions for both the displacement field and the pressure of the incompressible fluid within the closed cells are employed to establish the relationship between the macroscopic deformation and the microscopic variables such as deformation, stress, strain and fluid pressure. The results show that the extended multiscale finite element method constructed with the conventional four-node quadrilateral coarse-grid elements sometimes will have strong boundary effects and cannot predict well the fluid pressure in the closed cells.… More >

Xianqiao Wang¹, James D. Lee¹

CMES-Computer Modeling in Engineering & Sciences, Vol.62, No.2, pp. 150-170, 2010, DOI:10.3970/cmes.2010.062.150

Abstract The concurrent methods for coupling molecular dynamics with continuum thermodynamics offer a myriad of challenging problems, mostly related with energy transmission, wave reflection, and damage propagation at the interfaces between the continuum description and the discrete description. In this work, by virtue of the atomistic field theory (AFT), we present an analysis to reconcile the compatibility between atomic region and continuum region and to calculate the matching temperature field of a heat conduction problem in a concurrent atomistic/continuum system. First, formulation of AFT with finite temperature and its corresponding finite element implementation are briefly introduced. Then we develop a new… More >

D.P. Boso¹, M. Lefik²

CMES-Computer Modeling in Engineering & Sciences, Vol.55, No.3, pp. 319-338, 2010, DOI:10.3970/cmes.2010.055.319

Abstract In this paper we study numerically the mechanical behaviour of wire ropes, particularly the influence of the geometrical configuration on the overall stiffness of the cables. Modelling the behaviour of a cable is a difficult problem, given the complexity of the geometrical layout, contact phenomena occurring among wires and possible yielding of the material. For this reason we pursue a "hierarchical beam approach", to substitute recursively, at each cabling stage, the bundle of wires with an equivalent single strand, having the characteristics computed from the previous level. We consider the first two levels of the bundle hierarchy and investigate the… More >

O. Allix¹, P. Kerfriden¹, P. Gosselet¹

CMES-Computer Modeling in Engineering & Sciences, Vol.55, No.3, pp. 271-292, 2010, DOI:10.3970/cmes.2010.055.271

Abstract We present numerical enhancements of a multiscale domain decomposition strategy based on a LaTIn solver and dedicated to the computation of the debounding in laminated composites. We show that the classical scale separation is irrelevant in the process zones, which results in a drop in the convergence rate of the strategy. We show that performing nonlinear subresolutions in the vicinity of the front of the crack at each prediction stage of the iterative solver permits to restore the effectiveness of the method. More >