The proceedings of the JSME annual meeting
Online ISSN : 2433-1325
2003.6
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A seamless coupling of atomistic and continuum fields in the quasicontinuum method
Tomotsugu SHIMOKAWAJakob SCHIOTZKarsten W. JACOBSEN
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CONFERENCE PROCEEDINGS FREE ACCESS

Pages 39-40

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Abstract
In the quasicontinuum method, one of the big problem that unphysical force appears near the interface of atomic (non-local)/continuum (local) regions is solved by introduing a buffer layer of a new kind of atoms (quasi-non-local atom) between that regions. This quasi-non-local atom can feel its first neighbor atoms and non-local atoms within the cut-off distance. Vacancy formation energy of Al is calculated to confirm its availability.
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© 2003 The Japan Society of Mechanical Engineers
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