2002
DOI: 10.1073/pnas.062054999
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Simulating materials failure by using up to one billion atoms and the world's fastest computer: Work-hardening

Abstract: We describe the second of two large-scale atomic simulation projects on materials failure performed on the 12-teraflop ASCI (Accelerated Strategic Computing Initiative) White computer at the Lawrence Livermore National Laboratory. This investigation simulates ductile failure by using more than one billion atoms where the true complexity of the creation and interaction of hundreds of dislocations are revealed.

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Cited by 116 publications
(68 citation statements)
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“…As such, if, instead of the form in Eq. (12), we renormalize such that (13) and take ξ 0 as the ρ*=0 limit of ξ, (14) then we achieve the same practical result without invoking the hard-sphere separation. The same method can be extended to the viscosities, so that we find and (15) where and (16) are modified Laplacian forms, and we have taken the slightly more general results of Kirkwood et al 10 for the viscosity forms, though the distinction from Rice and Kirkwood 9 is minor.…”
Section: Theorymentioning
confidence: 99%
“…As such, if, instead of the form in Eq. (12), we renormalize such that (13) and take ξ 0 as the ρ*=0 limit of ξ, (14) then we achieve the same practical result without invoking the hard-sphere separation. The same method can be extended to the viscosities, so that we find and (15) where and (16) are modified Laplacian forms, and we have taken the slightly more general results of Kirkwood et al 10 for the viscosity forms, though the distinction from Rice and Kirkwood 9 is minor.…”
Section: Theorymentioning
confidence: 99%
“…Shockwave simulations have the advantage that dislocation nucleation and motion happen on a very short time scale, which makes large systems feasible; see, for instance, Zhou et al 7 who have used Morse and embedded atom model ͑EAM͒ potentials on systems with many millions of atoms at nearly zero temperature. A very large system, one billion atoms, has been simulated by Abraham et al, 8 but starting from a block with two small cuts at 0 K, which has been prestrained in mode-I loading ͑such a setup is impossible to achieve experimentally͒. The first atomistic calculation coupled to a continuum was performed by Gehlen et al 9,10 in 2D using K I -continuum boundary conditions on the atomic region.…”
Section: Introductionmentioning
confidence: 99%
“…The present record is well over a few Teraf lops for optimized performance, and we have now simulated over 1,000,000,000 atoms in a work-hardening study at the Lawrence Livermore National Laboratory by using the ASCI White The first of our two simulation studies addressed the important question ''how fast can cracks propagate?'' In this study, we used system sizes of about 20 million atoms, very large by present-day standards but modest compared with our second study on ductile failure (23). Based on our current simulation model, we develop our earlier studies on transonic crack propagation in linear materials and supersonic crack propagation in nonlinear solids.…”
mentioning
confidence: 99%