Million atom simulations of materials on parallel computers - silica, silicon nitride, and ceramic films

Conference · Wed Dec 31 00:00:00 EST 1997

OSTI ID:567877

Nakano, A; Kalia, R K; Vashishta, P ^[1]

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1. Louisiana State Univ., Baton Rouge, LA (United States)

Multiresolution molecular dynamics approach on parallel computers has been used to investigate the structural properties and mechanical failure in microporous silica. Critical behavior at fracture is analyzed in terms of pore percolation and kinetic roughening of fracture surfaces. Crack propagation in amorphous silicon nitride films is investigated, and a correlation between the speed of crack propagation and the morphology of fracture surfaces is observed.

• DOE Contract Number: FG05-92ER45477
• OSTI ID: 567877
• Report Number(s): CONF-9505249-; CNN: Grant F49620-94-1-0444; Grant DMR-9412965; TRN: 98:000249-0004
• Resource Relation: Conference: 97. American Ceramic Society (ACS) annual meeting and exposition, Cincinnati, OH (United States), 1-4 May 1995; Other Information: PBD: 1997; Related Information: Is Part Of Ceramic transactions: Computational modeling of materials and processing. Volume 69; Simmons, J.H.; Fuller, E.R. Jr.; Dragoo, A.L.; Garboczi, E.J. [eds.]; PB: 254 p.
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRACK PROPAGATION
FILMS
MORPHOLOGY
PROCESSING
SILICA
PORE STRUCTURE