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  • Open Access

    ARTICLE

    Atomic-level Stress Calculation and Continuum-Molecular System Equivalence

    Shengping Shen1, S. N. Atluri1

    CMES-Computer Modeling in Engineering & Sciences, Vol.6, No.1, pp. 91-104, 2004, DOI:10.3970/cmes.2004.006.091

    Abstract An atomistic level stress tensor is defined with physical clarity, based on the SPH method. This stress tensor rigorously satisfies the conservation of linear momentum, and is appropriate for both homogeneous and inhomogeneous deformations. The formulation is easier to implement than other stress tensors that have been widely used in atomistic analysis, and is validated by numerical examples. The present formulation is very robust and accurate, and will play an important role in the multiscale simulation, and in molecular dynamics. An equivalent continuum is also defined for the molecular dynamics system, based on the developed More >

  • Open Access

    ARTICLE

    On the Equivalence Between Least-Squares and Kernel Approximations in Meshless Methods

    Xiaozhong Jin1, Gang Li2, N. R. Aluru3

    CMES-Computer Modeling in Engineering & Sciences, Vol.2, No.4, pp. 447-462, 2001, DOI:10.3970/cmes.2001.002.447

    Abstract Meshless methods using least-squares approximations and kernel approximations are based on non-shifted and shifted polynomial basis, respectively. We show that, mathematically, the shifted and non-shifted polynomial basis give rise to identical interpolation functions when the nodal volumes are set to unity in kernel approximations. This result indicates that mathematically the least-squares and kernel approximations are equivalent. However, for large point distributions or for higher-order polynomial basis the numerical errors with a non-shifted approach grow quickly compared to a shifted approach, resulting in violation of consistency conditions. Hence, a shifted polynomial basis is better suited from More >

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