CMC-Vol. 3, No. 3, 2006

Open Access

ARTICLE

A First-Principles Computational Framework for Liquid Mineral Systems
B.B. Karki¹, D. Bhattarai¹, L. Stixrude²
CMC-Computers, Materials & Continua, Vol.3, No.3, pp. 107-118, 2006, DOI:10.3970/cmc.2006.003.107
Abstract Computer modeling of liquid phase poses tremendous challenge: It requires a relatively large simulation size, long simulation time and accurate interatomic interaction and as such, it produces massive amounts of data. Recent advances in hardware and software have made it possible to accurately simulate the liquid phase. This paper reports the details of methodology used in the context of liquid simulations and subsequent analysis of the output data. For illustration purpose, we consider the results for the liquid phases of two geophysically relevant materials, namely MgO and MgSiO₃. The simulations are performed using the parallel first-principles molecular dynamics (FPMD) technique… More >

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ARTICLE

Nonlinear Dynamical Analysis in Incompressible Transversely Isotropic Nonlinearly Elastic Materials: Cavity Formation and Motion in Solid Spheres
X.G. Yuan¹, R.J. Zhang²
CMC-Computers, Materials & Continua, Vol.3, No.3, pp. 119-130, 2006, DOI:10.3970/cmc.2006.003.119
Abstract In this paper, the problem of cavity formation and motion in an incompressible transversely isotropic nonlinearly elastic solid sphere, which is subjected to a uniform radial tensile dead load on its surface, is examined in the context of nonlinear elastodynamics. The strain energy density associated with the nonlinearly elastic material may be viewed as the generalized forms of some known material models. It is proved that some determinate conditions must be imposed on the form of the strain energy density such that the surface tensile dead load has a finite critical value. Correspondingly, as the surface tensile dead load exceeds… More >

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Multi-Scale Modelling and Simulation of Textile Reinforced Materials
G. Haasemann¹, M. Kästner¹ and V. Ulbricht¹
CMC-Computers, Materials & Continua, Vol.3, No.3, pp. 131-146, 2006, DOI:10.3970/cmc.2006.003.131
Abstract Novel textile reinforced composites provide an extremely high adaptability and allow for the development of materials whose features can be adjusted precisely to certain applications. A successful structural and material design process requires an integrated simulation of the material behavior, the estimation of the effective properties which need to be assigned to the macroscopic model and the resulting features of the component. In this context two efficient modelling strategies - the Binary Model (Carter, Cox, and Fleck (1994)) and the Extended Finite Element Method (X-FEM) (Moës, Cloirec, Cartraud, and Remacle (2003)) - are used to model materials which exhibit a… More >

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Numerical Investigation of the Multiple Dynamic Crack Branching Phenomena
T. Nishioka¹, S. Tchouikov¹, T. Fujimoto¹
CMC-Computers, Materials & Continua, Vol.3, No.3, pp. 147-154, 2006, DOI:10.3970/cmc.2006.003.147
Abstract In this study, phenomena of multiple branching of dynamically propagating crack are investigated numerically. The complicated paths of cracks propagating in a material are simulated by moving finite element method based on Delaunay automatic triangulation (MFEM BODAT), which was extended for such problems. For evaluation of fracture parameters for propagating and branching cracks switching method of the path independent dynamic J integral was used. Using these techniques the generation phase simulation of multiple dynamic crack branching was performed. Various dynamic fracture parameters, which are almost impossible to obtain by experimental technique alone, were accurately evaluated. More >

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ARTICLE

Application of the Cell Method to the Simulation of Unsaturated Flow
S. Straface¹, S. Troisi, V. Gagliardi
CMC-Computers, Materials & Continua, Vol.3, No.3, pp. 155-166, 2006, DOI:10.3970/cmc.2006.003.155
Abstract The present work shows an alternative to the classical methods to solve the Richards' Equation (RE), used to model flow in unsaturated porous media. This alternative is named Cell Method (CM). The CM is based on a preliminary reformulation of the mathematical model in a partially discrete form, which preserves as much as possible the physical and geometrical content of the original problem, and is made possible by the existence and properties of a common mathematical structure of field theories. The goal is to maintain the focus, both in the modelling and discretization steps, on the physics of the problem.… More >

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