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

Autor:	Noam Bernstein, Efthimios Kaxiras, Jeremy Q. Broughton, Farid F. Abraham
Rok vydání:	1998
Předmět:	Materials science Silicon Continuum (measurement) General Physics and Astronomy chemistry.chemical_element Mechanics Physics::Geophysics Dynamic simulation Condensed Matter::Materials Science Handshaking Molecular dynamics chemistry Brittle crack Quantum Brittle fracture
Zdroj:	Europhysics Letters (EPL). 44:783-787
ISSN:	1286-4854 0295-5075
DOI:	10.1209/epl/i1998-00536-9
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::085e7378b182b48d5d0b2902df37a42a https://doi.org/10.1209/epl/i1998-00536-9 Zobrazit plný text záznamu