F.F. Abraham, M. Goulian
EPL
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.
F.F. Abraham, M. Goulian
EPL
J.Q. Broughton, P.S. Bagus
Journal of Electron Spectroscopy and Related Phenomena
J.Q. Broughton, P.S. Bagus
Physical Review B
Farid F. Abraham, J.Q. Broughton
Computational Materials Science