Open Access
ARTICLE
Chikit Au1, Yiyu Cai2, Jianmin Zheng3, Tony Woo4
CMES-Computer Modeling in Engineering & Sciences, Vol.68, No.3, pp. 221-238, 2010, DOI:10.3970/cmes.2010.068.221
Abstract A protein model (such as a ribbon model) can be created from the atomic coordinates in the protein data base files. These coordinates are obtained by X-ray crystallography or NMR spectroscopy with the protein arbitrarily oriented.
As such, identifying or comparing a novel structure with a known item using protein model in the protein data base can be a timely process since a large number of transformations may be involved. The identification efficiency will be improved if the protein models are uniformly oriented. This paper presents an approach to orient a protein model to generate the characteristic views with minimum… More >
Open Access
ARTICLE
A. A. Abdulrazeg1, J. Noorzaei1,2, P. Khanehzaei1, M. S. Jaafar1, T. A. Mohammed1
CMES-Computer Modeling in Engineering & Sciences, Vol.68, No.3, pp. 239-268, 2010, DOI:10.3970/cmes.2010.068.239
Abstract Development of temperature rise in massive concrete structure such as a roller compacted concrete dam is attributed to hydration of concrete and environmental boundary conditions. These thermal changes in the material affect the
elastic, creep properties of the material, and in turn, the stress fields within the structure. Therefore, the effects of temperature on the properties of RCC materials( elastic, creep) has to be taken into account in order to determine the risk of the thermally induced cracking in these dams. In the present work an attempt has been made to consider the effect of temperature on the elastic and… More >
Open Access
ARTICLE
Jai Hak Park1, Maan Won Kim2, Gennadiy P. Nikishkov3
CMES-Computer Modeling in Engineering & Sciences, Vol.68, No.3, pp. 269-296, 2010, DOI:10.3970/cmes.2010.068.269
Abstract A SGBEM-FEM alternating method had been proposed by Nikishkov, Park and Atluri for the analysis of three-dimensional planar and non-planar cracks and their growth. In the method, the symmetric Galerkin boundary element method
is used for the crack solution in an infinite body and the finite element method is used to perform stress analysis for the uncracked body only. In this paper the method is extended further to analyze through-thickness cracks. Adequate shape of boundary element mesh is examined and it is found that the fictitious portion of the boundary element mesh, which is located outside the body, plays an… More >
Open Access
ARTICLE
I-L. Chang1, W.-C. Ding
CMES-Computer Modeling in Engineering & Sciences, Vol.68, No.3, pp. 297-312, 2010, DOI:10.3970/cmes.2010.068.297
Abstract Molecular dynamics method incorporating with parallel computing technique was employed to study the mechanical properties of textured polycrystalline nanofilms with fixed out-of-plane normal direction. The grain size and film
thickness effects on both the elastic and plastic properties of the copper nanofilm were examined. It is shown from the simulation that the elastic and plastic properties (i.e., Young’s modulus, Poisson’s ratio, biaxial yield stress, etc) of textured polycrystalline nanofilms depend on the grain size and the film thickness. As the grain size of the nanofilm become larger, the Young’s modulus and biaxial yield stress increase but the Poisson’s ratio decreases.… More >
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