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    ARTICLE

    Coupled Atomistic/Continuum Simulation based on Extended Space-Time Finite Element Method

    Shardool U. Chirputkar1, Dong Qian2

    CMES-Computer Modeling in Engineering & Sciences, Vol.24, No.2&3, pp. 185-202, 2008, DOI:10.3970/cmes.2008.024.185

    Abstract A multiscale method based on the extended space-time finite element method is developed for the coupled atomistic/continuum simulation of nanoscale material systems. Existing single scale approach such as the finite element method has limited capability of representing the fine scale physics in both the spatial and temporal domains. This is a major disadvantage for directly incorporating FEM in coupled atomistic/continuum simulations as it results in errors such as spurious wave reflections at the atomistic/continuum interface. While numerous efforts have been devoted to eliminating the interfacial mismatch effects, less attention has been paid to developing fine More >

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