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

Citation
Ff. Abraham et al., Spanning the continuum to quantum length scales in a dynamic simulation ofbrittle fracture, EUROPH LETT, 44(6), 1998, pp. 783-787
Citations number
13
Categorie Soggetti
Physics
Journal title
EUROPHYSICS LETTERS
ISSN journal
02955075 → ACNP
Volume
44
Issue
6
Year of publication
1998
Pages
783 - 787
Database
ISI
SICI code
0295-5075(199812)44:6<783:STCTQL>2.0.ZU;2-B
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 ha ve devised schemes for handshaking between the finite-element, molecular dy namics and semi-empirical tight-binding representations. We illustrate and validate the methodology for brittle crack propagation in silicon.