Large-Scale Molecular Dynamics Simulations of Three-Dimensional Ductile Failure

Journal Article · Tue Dec 31 23:00:00 EST 1996 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.78.479· OSTI ID:439081

Zhou, S; Beazley, D; Lomdahl, P; Holian, B ^[1]

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1. Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

We have performed massively parallel 3D molecular dynamics simulations with up to 35 million atoms to investigate ductile failure, obtaining mechanistic information at the atomistic level inaccessible to experiment. We observe dislocation loops emitted from the crack front{emdash}the first time this has been seen in computer simulations. The sequence of dislocation emission events, essential for establishing an intrinsic ductility criterion, strongly depends on the crystallographic orientation of the crack front and differs strikingly from anything previously conjectured. {copyright} {ital 1997} {ital The American Physical Society}

• OSTI ID: 439081
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 3 Vol. 78; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
66 PHYSICS
COMPUTERIZED SIMULATION
CRACK PROPAGATION
CRYSTAL STRUCTURE
DISLOCATIONS
DUCTILITY
FRACTURE MECHANICS
LANL
MOLECULAR DYNAMICS METHOD
STRESSES