Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture

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1998 EDP Sciences
, , Citation F. F. Abraham et al 1998 EPL 44 783 DOI 10.1209/epl/i1998-00536-9

0295-5075/44/6/783

Abstract

We have coupled the continuum, the atomistic, and the quantum descriptions of matter for a unified treatment of the dynamic fracture of silicon. We have devised schemes for handshaking between the finite-element, molecular dynamics and semi-empirical tight-binding representations. We illustrate and validate the methodology for brittle crack propagation in silicon.

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10.1209/epl/i1998-00536-9