Large-Scale Atomistic Simulations of Material Failure

Several large-scale simulations were performed in the fall of 2000 on several thousand processors of the initial-delivery ASCI White supercomputer at Lawrence Livermore National Laboratory. Farid Abraham of IBM Almaden Research, in collaboration with LLNL personel Mark Duchaineau, Tomas Diaz De La Rubia, Brian Wirth, Terry Heidelberg, Mark Seager, and others, have successfully studied for the first time the supersonic propagation of cracks and the formation of complex junction structures in metals.

Brittle Fracture

New simulations show it is possible for shear-induced cracks to travel at transsonic and supersonic speeds under certain conditions, contradicting classical theory.

Ductile Failure

A billion-atom simulation was performed on 2016 processors that for the first time shows the rich dislocation structures that emerge in metals under strain.

Atomic Simulation of Shockless Compression

The movies show a model porous material with its topological line-structure (filament) analysis, along with an example sandwich experimental design in which the porous material shows potential for enabling shockless compression.

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