Orientation-dependent response of defective Tantalum single crystals

Tramontina Videla, Diego Ramiro
Ruestes, Carlos Javier
Tang, Yizhe
Bringa, Eduardo Marcial

Open link

Publication date

May 2014

DOI

10.1016/j.commatsci.2014.03.069

Publisher

Elsevier BV

Journal

Computational Materials Science

Abstract

Defective Tantalum monocrystals are expected to display a particularly rich behavior when stressed along different directions. Using molecular dynamics simulations, we model Ta monocrystals containing a single spherical void of different sizes, under uniaxial compression, for two empirical potentials. Differences on the yield point, dislocation generation and plastic heating are observed depending on the void size and stress direction, as distinct slip systems are activated, resulting in a variety of dislocation structures and mobilities.Fil: Tramontina Videla, Diego Ramiro. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Ministerio de Ciencia. Tecnología e Innovación Productiva. Agencia Nacional de Promoc...