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Atomistic simulation of the deformation of nanocrystalline palladium: the effect of voids

Bachurin, Dmitry; Gumbsch, Peter

Abstract (englisch):
Atomistic simulations of uniaxial deformation of porous nanocrystalline palladium were performed at room temperature. The porosity was varied from 1% to 3%. The diameter of the pores was varied from 1 to 4 nm. It is found that a significant part of the void volume fraction is lost during sample preparation at high temperature. During deformation, the presence of voids does not lead to an earlier onset of dislocation activity compared to the void-free sample. Poisson's ratio is found to be almost insensitive to porosity, while Young's modulus and the stress for the initiation of grain boundary mediated plastic flow moderately decrease with increasing porosity. The total strain for the onset of plastic deformation, however, is unaffected by the porosity.

Zugehörige Institution(en) am KIT Institut für Angewandte Materialien - Computational Materials Science (IAM-CMS)
Publikationstyp Zeitschriftenaufsatz
Jahr 2014
Sprache Englisch
Identifikator ISSN: 0965-0393
KITopen ID: 1000053333
Erschienen in Modelling and Simulation in Materials Science and Engineering
Band 22
Heft 2
Seiten 025011
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