Multiscale Coupling of Meshless Particle Method and Molecular Dynamics and its Applications at the Nanoscale

Abstract:

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A multiscale particle method with the intermediate oscillator is studied further in this paper. Whole domain is divided into atom domain and continuum domain and different method is used in each domain. The overlapping domain is connected by the intermediate oscillator and the energy of this domain is taken to be a linear combination of the continuum and atom Hamiltonians including the energy of the intermediate oscillator. Smoothed energy transfer is observed during this method applied. cases in 1D model are investigated and agreement result is obtained.

Info:

Periodical:

Advanced Materials Research (Volumes 291-294)

Edited by:

Yungang Li, Pengcheng Wang, Liqun Ai, Xiaoming Sang and Jinglong Bu

Pages:

3331-3336

DOI:

10.4028/www.scientific.net/AMR.291-294.3331

Citation:

J. H. Tian "Multiscale Coupling of Meshless Particle Method and Molecular Dynamics and its Applications at the Nanoscale", Advanced Materials Research, Vols. 291-294, pp. 3331-3336, 2011

Online since:

July 2011

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$35.00

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