The Proceedings of The Computational Mechanics Conference
Online ISSN : 2424-2799
2000.13
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Multi-Resolution Molecular Dynamics Study on Motion Transfer Mechanism of Metal Nano-cluster
Kenichi SAITOHMasatoshi TATSUMITakehiko INABA
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CONFERENCE PROCEEDINGS FREE ACCESS

Pages 609-610

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Abstract
Multi-resolution molecular dynamics (MRMD) method is applied to the sikulation of coalescence and growth mechanism of nano-clusters. Lennard-Jones potential with parameters of copper is used. In MRMD method, rigid body motion as cluster is solved with the motion of individual atoms. The latter is calculated only near contact region. The MRMD algorithm is developed to treat the rigid body motion not only with translational transfer but also with rotational one. When collision parameter between approaching clusters exists, rotational motion is usually generated by MD calculation. Nevertheless, the situation is not realized in the present MRMD method. It is supposed that this is because a given principal torque inclines to be dissociated to other components during relatively long coalescence period.
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© 2000 The Japan Society of Mechanical Engineers
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