Leiting Dong^1,2, Salah H. Gamal³, Satya N. Atluri^2,4

CMC-Computers, Materials & Continua, Vol.37, No.1, pp. 1-21, 2013, DOI:10.3970/cmc.2013.037.001

Abstract In this paper, a simple and reliable procedure of stochastic computation is combined with the highly accurate and efficient Trefftz Computational Grains (TCG), for a direct numerical simulation (DNS) of heterogeneous materials with microscopic randomness. Material properties of each material phase, and geometrical properties such as particles sizes and distribution, are considered to be stochastic with either a uniform or normal probabilistic distributions. The objective here is to determine how this microscopic randomness propagates to the macroscopic scale, and affects the stochastic characteristics of macroscopic material properties. Four steps are included in this procedure: (1) using the Latin hypercube sampling,… More >

W.H. Chen¹, C.W. Hong^1,2

CMC-Computers, Materials & Continua, Vol.21, No.2, pp. 147-170, 2011, DOI:10.3970/cmc.2011.021.147

Abstract Nanorod/nanowell/nanotube arrays are effective nanotechnologies that can increase the performance of a photo-electrochemical solar cell by increasing the reaction area of the working electrode. However, the confined space due to the nano-arrays also tends to decrease the redox ion diffusivity. This paper describes computer modeling on the ionic diffusion of the active species (I-/I3-) among the nano-arrays of the working electrode material (TiO2). A three dimensional periodic boundary molecular dynamics simulation technique is employed to simulate the nano-scale transport phenomenon. Performance improvement tendency can be evaluated from the Butler-Volmer equation. Simulation results reveal that the increasing reaction area times the… More >

Fei Jia¹, Xiu-Peng Zheng^1,2, Yan-Ping Cao^1,3, Xi-Qiao Feng¹

CMC-Computers, Materials & Continua, Vol.18, No.2, pp. 105-120, 2010, DOI:10.3970/cmc.2010.018.105

Abstract Recently, a novel technique based on the wrinkling of a bilayer composite film resting on a compliant substrate was proposed to measure the elastic moduli of thin films. In this paper, this technique is studied via theoretical analysis and finite element simulations. We find that under an applied compressive strain, the composite system may exhibit various buckling modes, depending upon the applied compressive strain, geometric and material parameters of the system. The physical mechanisms underlying the occurrence of the two most typical buckling modes are analyzed from the viewpoint of energy. When the intermediate layer is much thicker than the… More >

S. Patala¹, C.A. Schuh¹

CMC-Computers, Materials & Continua, Vol.17, No.1, pp. 1-18, 2010, DOI:10.3970/cmc.2010.017.001

Abstract Recent advances in microstructural characterization have made it possible to measure grain boundaries and their networks in full crystallographic detail. Statistical studies of the complete boundary space using full crystallographic parameters (misorientations and boundary plane inclinations) are limited because the topology of the parameter space is not understood (especially for homophase grain boundaries). This paper addresses some of the complexities associated with the group space of grain boundaries, and resolves the topology of the complete boundary space for systems of two-dimensional crystals. Although the space of homophase boundaries is complicated by the existence of a `no-boundary' singularity, i.e., no boundary… More >

Dustin D. Gerrard¹, David T. Fullwood¹, Denise M. Halverson², Stephen R. Niezgoda³

CMC-Computers, Materials & Continua, Vol.15, No.2, pp. 129-152, 2010, DOI:10.3970/cmc.2010.015.129

Abstract The effective properties of composite materials are often strongly related to the connectivity of the material components. Many structure metrics, and related homogenization theories, do not effectively account for this connectivity. In this paper, relationships between the topology, represented via homology theory, and the effective elastic response of composite plates is investigated. The study is presented in the context of popular structure metrics such as percolation theory and correlation functions. More >

J.A.Ferreira^1,2, P. de Oliveira², P. da Silva³, D. M. G. Comissiong⁴

CMC-Computers, Materials & Continua, Vol.13, No.1, pp. 17-48, 2009, DOI:10.3970/cmc.2009.013.017

Abstract A phenomenological formulation is adopted to investigate desorption in polymers. The speed of the front is studied and the well-posedness of the general model is analyzed. Numerical simulations illustrating the dynamics of the desorption process described by the proposed model are included. More >

Q. S. Yang¹, B. S. Liu, L. T. Meng

CMC-Computers, Materials & Continua, Vol.12, No.1, pp. 39-56, 2009, DOI:10.3970/cmc.2009.012.039

Abstract Coupling and interaction of multi-physical fields exist in hydrogel consisting of a fluid and a solid under external stimulus. In this paper, a phenomenological theory for chemo-mechanical coupling behavior and finite element formulation are developed, based on the thermodynamic laws. The free energy function is constructed and used to derive the constitutive equations and governing equations for a linear coupling system including a chemical effect. Equivalent integral forms of the governing equations and coupled finite element equations are obtained by a variational principle. Numerical examples demonstrate the interaction of chemical and mechanical effects of hydrogel under external force loadings and… More >