Publication
Europhysics Letters
Paper
Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture
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.