Deformation and spallation of shocked Cu bicrystals with Sigma 3 coherent and symmetric incoherent twin boundaries

WZ Han and Q An and SN Luo and TC Germann and DL Tonks and WA Goddard, PHYSICAL REVIEW B, 85, 024107 (2012).

DOI: 10.1103/PhysRevB.85.024107

We perform molecular dynamics simulations of Cu bicrystals with two important grain boundaries (GBs), Sigma 3 coherent twin boundaries (CTB), and symmetric incoherent twin boundaries (SITB) under planar shock wave loading. It is revealed that the shock response (deformation and spallation) of the Cu bicrystals strongly depends on the GB characteristics. At the shock compression stage, elastic shock wave can readily trigger GB plasticity at SITB but not at CTB. The SITB can induce considerable wave attenuation such as the elastic precursor decay via activating GB dislocations. For example, our simulations of a Cu multilayer structure with 53 SITBs (similar to 1.5-mu m thick) demonstrate a similar to 80% elastic shock decay. At the tension stage, spallation tends to occur at CTB but not at SITB due to the high mobility of SITB. The SITB region transforms into a threefold twin via a sequential partial dislocation slip mechanism, while CTB preserves its integrity before spallation. In addition, deformation twinning is a mechanism for inducing surface step during shock tension stage. The drastically different shock response of CTB and SITB could in principle be exploited for, or benefit, interface engineering and materials design.

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