CMC-Vol. 17, No. 1, 2010

Open Access

ARTICLE

Topology of Homophase Grain Boundaries in Two-Dimensional Crystals: The Role of Grain Exchange Symmetry
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… More >

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ARTICLE

A Quasi-Boundary Semi-Analytical Approach for Two-Dimensional Backward Advection-Dispersion Equation
Chih-Wen Chang¹, Chein-Shan Liu²
CMC-Computers, Materials & Continua, Vol.17, No.1, pp. 19-40, 2010, DOI:10.3970/cmc.2010.017.019
Abstract In this study, we employ a semi-analytical approach to solve a two-dimensional advection-dispersion equation (ADE) for identifying the contamination problems. First, the Fourier series expansion technique is used to calculate the concentration field C(x, y, t) at any time t < T. Then, we ponder a direct regularization by adding an extra termaC(x, y, 0) on the final time data C(x, y, T), to reach a second-kind Fredholm integral equation. The termwise separable property of kernel function allows us obtaining a closed-form solution of the Fourier coefficients. A strategy to choose the regularization parameter is More >

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ARTICLE

Effects of TGO Roughness on Indentation Response of Thermal Barrier Coatings
Taotao Hu¹, gping Shen^1,2
CMC-Computers, Materials & Continua, Vol.17, No.1, pp. 41-58, 2010, DOI:10.3970/cmc.2010.017.041
Abstract In this paper, an axisymmetric indentation model is set up to calculate the effects of the roughness of the thermally grown oxide (TGO) layer, which was modeled as a sinusoidal wave, on the indentation response of the thermal barrier coatings. It is found that the amplitude, wavelength, and thickness of the thermally grown oxide layer have obvious influences on the indentation response, while the effect of the indenter position can be neglected. In the top coating layer, residual stress mainly occurs below the indenter and around the nearest two peaks of the thermally grown oxide More >

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ARTICLE

Effects of Surface Orientation and Temperature on Tensile Deformation of Gold Nanowires
Qunfeng Liu¹, gping Shen²
CMC-Computers, Materials & Continua, Vol.17, No.1, pp. 59-76, 2010, DOI:10.3970/cmc.2010.017.059
Abstract Molecular Dynamics (MD) simulations have been performed using the EAM potential to investigate the deformation behaviors and mechanical properties of <100>/{100} gold nanowires with square cross-section at a certain strain rate under different temperatures ranging from 10 K to 700 K. It is found that <100>/{100} gold nanowires at high temperatures tend to form the extended stable nanobridges-Helical Multi-shell Structure (HMS), which is similar to the deformation behavior of <110> gold nanowires at room temperature reported in the previous experimental observations and simulations. The effect of temperature on the mechanical properties and deformation behaviors of gold nanowires… More >

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