The Proceedings of Conference of Kansai Branch
Online ISSN : 2424-2756
2000.75
Session ID : 107
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107 Ab-initio and Classical Molecular Dynamics Study of Fracture
Shigenobu OGATA
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Abstract
Ab-initio and classical molecular dynamics simulation technique are used for studying the fracture phenomena of β- silicon nitride single crystal and an interface between aluminium/aluminium nitride. The fracture toughness, and stress distribution near crack tip of the single crystal are estimated and are compared with experimental data and linear elastic solution, respectively. Intrinsic strength of the interface is also estimated from results of ab-initio molecular dynamics simulation.
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© 2000 The Japan Society of Mechanical Engineers
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