Hiroshi Kadowaki¹, Wing Kam Liu²

CMES-Computer Modeling in Engineering & Sciences, Vol.7, No.3, pp. 269-282, 2005, DOI:10.3970/cmes.2005.007.269

Abstract A method to derive governing equations and elastic-plastic constitutive relations for the micropolar continuum model is proposed. Averaging procedures are operated over a surrounding sub-domain for each material point to bridge a discrete microstructure to a macro continuum model. Material parameters are determined by these procedures. The size of the sub-domain represents the material intrinsic length scale, and it is passed into the macroscopic governing equation so that the numerical solution can be regularized for analyses of failure phenomena. An application to a simple granular material model is presented. More >

Shengping Shen¹, S. N. Atluri¹

CMES-Computer Modeling in Engineering & Sciences, Vol.7, No.1, pp. 49-68, 2005, DOI:10.3970/cmes.2005.007.049

Abstract The main objective of this paper is to develop a multiscale method for the static analysis of a nano-system, based on a combination of molecular mechanics and MLPG methods. The tangent-stiffness formulations are given for this multiscale method, as well as a pure molecular mechanics method. This method is also shown to naturally link the continuum local balance equation with molecular mechanics, directly, based on the stress or force. Numerical results show that this multiscale method quite accurate. The tangent-stiffness MLPG method is very effective and stable in multiscale simulations. This multiscale method dramatically reduces More >

J. Ma¹, H. Lu¹, B. Wang¹, S. Roy¹, R. Hornung², A. Wissink², R. Komanduri^1,3

CMES-Computer Modeling in Engineering & Sciences, Vol.8, No.2, pp. 135-152, 2005, DOI:10.3970/cmes.2005.008.135

Abstract In the simulation of a wide range of mechanics problems including impact/contact/penetration and fracture, the material point method (MPM), Sulsky, Zhou and Shreyer (1995), demonstrated its computational capabilities. To resolve alternating stress sign and instability problems associated with conventional MPM, Bardenhagen and Kober (2004) introduced recently the generalized interpolation material point (GIMP) method and implemented for one-dimensional simulations. In this paper we have extended GIMP to 2D and applied to simulate simple tension and indentation problems. For simulations spanning multiple length scales, based on the continuum mechanics approach, we present a parallel GIMP computational method… More >

Y. Tomita ¹, M. Uchida ¹

CMES-Computer Modeling in Engineering & Sciences, Vol.10, No.3, pp. 239-248, 2005, DOI:10.3970/cmes.2005.010.239

Abstract In this study, we clarified the micro- to mesoscopic deformation behavior of a semicrystalline polymer by employing a large-deformation finite element homogenization method. The crystalline plasticity theory with a penalty method for the inextensibility of the chain direction and the nonaffine molecular chain network theory were applied for the representation of the deformation behavior of the crystalline and amorphous phases, respectively, in the composite microstructure of the semicrystalline polymer. The 3D structure of lamellae in the spherulite of high-density polyethylene was modeled, and the tensile and compressive deformation behaviors were investigated. A series of computational More >

Paul R. Dawson¹, Donald E. Boyce², Ronald Rogge³

CMES-Computer Modeling in Engineering & Sciences, Vol.10, No.2, pp. 123-142, 2005, DOI:10.3970/cmes.2005.010.123

Abstract Computational mechanics provides a powerful environment for modeling the evolution of material structure during deformation processes and for associating that evolution with changes to the mechanical properties. In this paper, we illustrate a two-scale formulation that links the mechanical loading applied at the scale of a component (the continuum scale) to the responses of the material at the scale of the crystals that comprise it (the crystal scale). Employing the capabilities offered by computational mechanics, we can better understand how heterogeneity of deformation arising at both the continuum and crystal scales influences the behaviors observed More >

gping Shen¹, S. N. Atluri¹

CMES-Computer Modeling in Engineering & Sciences, Vol.5, No.3, pp. 235-256, 2004, DOI:10.3970/cmes.2004.005.235

Abstract A multiscale simulation technique based on the MLPG methods, and finite deformation mechanics, is developed, implemented, and tested. Several alternate time-dependent interfacial conditions, between the atomistic and continuum regions, are systematically studied, for the seamless multiscale simulation, by decomposing the displacement of atoms in the equivalent-continuum region into long and short wave-length components. All of these methods for enforcing the interface conditions can ensure the passage of information accurately between the atomistic and continuum regions, while they lead to different performances at short wavelengths. The presently proposed Solution Method 2 reduces the phonon reflections at More >

Peter W. Chung¹, Raju R. Namburu², Brian J. Henz³

CMES-Computer Modeling in Engineering & Sciences, Vol.5, No.1, pp. 45-62, 2004, DOI:10.3970/cmes.2004.005.045

Abstract A method is developed based on an additive modification to the first Lagrangian elasticity tensor to make the finite element method for hyperelasticity viable at the atomic length scale in the context of lattice statics. Through the definition of an overlap region, the close-ranged atomic interaction energies are consistently summed over the boundary of each finite element. These energies are subsequently used to additively modify the conventional material property tensor that comes from the second derivative of the stored energy function. The summation over element boundaries, as opposed to atom clusters, allows the mesh and More >

V.K. Tewary², D.T. Read²

CMES-Computer Modeling in Engineering & Sciences, Vol.6, No.4, pp. 359-372, 2004, DOI:10.3970/cmes.2004.006.359

Abstract An integrated Green's function and molecular dynamics technique is developed for multiscale modeling of a nanostructure in a semi-infinite crystal lattice. The equilibrium configuration of the atoms inside and around the nanostructure is calculated by using molecular dynamics that accounts for nonlinear interatomic forces. The molecular dynamics is coupled with the lattice statics Green's function for a large crystallite containing a million or more atoms. This gives a fully atomistic description of a nanostructure in a large crystallite that includes the effect of nonlinear forces. The lattice statics Green's function is then related to the… 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… More >

K. Garikipati¹

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.2, pp. 175-184, 2002, DOI:10.3970/cmes.2002.003.175

Abstract The embedding of micromechanical models in the macromechanical formulation of continuum solid mechanics can be treated by a variational multiscale method. A scale separation is introduced on the displacement field into coarse and fine scale components. The fine scale displacement is governed by the desired micromechanical model. Working within the variational framework, the fine scale displacement field is eliminated by expressing it in terms of the coarse scale displacement and the remaining fields in the problem. The resulting macromechanical formulation is posed solely in terms of the coarse scale displacements, but is influenced by the More >