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Computer modeling of cracks [electronic resource].

Published
Upton, N.Y. : Brookhaven National Laboratory, 1981.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description
Pages: 34 : digital, PDF file
Additional Creators
Brookhaven National Laboratory and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
The theoretical techniques used in modeling cracks in crystalline lattices are reviewed. It is shown that there is generally a trade-off between sample size and realistic interatomic potentials. The results of a recent molecular dynamic study of a two-dimensional triangular Lennard-Jones system of about 10,000 atoms are described. Static calculations on this system show very little lattice trapping in contrast to the often quoted results of lattice statics models. Using molecular dynamics, the properties of the system, with and without a crack, are understood sufficiently quantitatively to allow extrapolation to infinite size. At 10,000 atoms size effects are small enough to render the simulation highly reliable. It is also shown that when lattice statics and hybrid lattice statics calculations are performed using realistic, long-range potentials, lattice trapping is small. Dynamic simulations at constant applied stress show an intricate interplay between brittle crack propagation and the tendency to form dislocations. At low stresses the behavior is brittle while dislocation generation and crack blunting is observed at elevated stresses. The velocity of crack propagation has also been studied using a constant applied strain. A constant velocity is attained relatively soon after the crack has begun to propagate at both constant applied stress or strain. The credibility of the various models is discussed.
Report Numbers
E 1.99:bnl-29558
E 1.99: conf-810584-1
conf-810584-1
bnl-29558
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Note
Published through SciTech Connect.
01/01/1981.
"bnl-29558"
" conf-810584-1"
NATO advanced study institute on atomistics of France, Corsica, France, 22 May 1981.
Paskin, A; Dienes, G J.
Funding Information
AC02-76CH00016
View MARC record | catkey: 14115854