Plastic deformation of a porous bcc metal containing nanometer sized voids

CJ Ruestes and EM Bringa and A Stukowski and JFR Nieva and Y Tang and MA Meyers, COMPUTATIONAL MATERIALS SCIENCE, 88, 92-102 (2014).

DOI: 10.1016/j.commatsci.2014.02.047

Nanoporous materials, can present an outstanding range of mechanical properties. Both molecular dynamics and dislocation analysis were used to evaluate and quantify the evolution of plasticity in a porous Ta single crystal containing randomly placed voids with 3.3 nm radii and average initial porosity of 4.1%, when subjected to uniaxial compressive strain. Nanovoids act as effective sources for dislocation emission. Dislocation shear loops nucleate at the surface of the voids and expand by the advance of the edge component. The evolution of dislocation configuration and densities were predicted by the molecular dynamics calculations and successfully compared to an analysis based on Ashby's concept of geometrically-necessary dislocations. Resolved shear stress calculations were performed for all bcc slip systems and used to identify the operating Burgers vectors in the dislocation loops. The temperature excursion during plastic deformation was used to estimate the mobile dislocation density which is found to be less than 10% of the total dislocation density. (C) 2014 Elsevier B.V. All rights reserved.

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