Molecular Dynamics Modelling of Laser-Pulse Compression of a Ta single crystal with dislocations

C. J. RUESTES; REMINGTON TP; E. M. BRINGA; M.A. MEYERS

Seattle

Congreso; APS - SCCM 2013; 2013

The nanoindentation of a defect-free Ta [001] single crystal is studiedby Molecular Dynamics simulations. The potential by, an EFS potential,and a recent EAM potential by are tested and their results analyzed interms of dislocation slip planes. Dislocations emitted from the indentedzone interact forming prismatic loops. The Ta dislocated structure isthen subjected to shock compression induced by a piston hitting thesample at various speeds. The shock-induced dislocation generation andmotion mechanisms are studied in order to compare to on-goingexperiments. The nanoindentation of a defect-free Ta [001] singlecrystal is studied by Molecular Dynamics simulations. The potential by,an EFS potential, and a recent EAM potential by are tested and theirresults analyzed in terms of dislocation slip planes. Dislocationsemitted from the indented zone interact forming prismatic loops. The Tadislocated structure is then subjected to shock compression induced by apiston hitting the sample at various speeds. The shock-induceddislocation generation and motion mechanisms are studied in order tocompare to on-going experiments.