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Coupled atomistic-mesoscopic model of polycrystalline plasticity

Published online by Cambridge University Press:  21 March 2011

Fabrizio Cleri,
Gregorio D'Agostino,
Alessandra Satta and
Luciano Colombo
Fabrizio Cleri
Affiliation:
also with Istituto Nazionale per la Fisica della Materia (INFM), Roma, Italy
Gregorio D'Agostino
Affiliation:
Ente Nuove Tecnologie, Energia e Ambiente (ENEA), Divisione Materiali Centro Ricerche Casaccia, CP 2400, I-00100 Roma, Italy
Alessandra Satta
Affiliation:
Istituto Nazionale per la Fisica della Materia (INFM), and Dipartimento di Fisica, Universitá di Cagliari S.P. Monserrato-Sestu, 09057 Monserrato, Cagliari, Italy
Luciano Colombo
Affiliation:
Istituto Nazionale per la Fisica della Materia (INFM), and Dipartimento di Fisica, Universitá di Cagliari S.P. Monserrato-Sestu, 09057 Monserrato, Cagliari, Italy
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Abstract

We discuss a microstructure evolution framework which couples atomic-level information about extended-defect interactions into a mesoscopic model; the latter, in turn, describes the dy-namic evolution of a statistical population of grain boundaries and dislocations. Atomistic simulations are carried out by means of molecular dynamics simulations on both isolated and interacting dislocations, grain boundaries, triple junctions, microcracks; the reference material for such studies is, at present, Silicon with the Stillinger-Weber potential. The mesoscale model describes the motion of discrete triple junctions (and, consequently, of the continuous network of adjoining grain boundaries) embedded in a continuous medium containing a homogenous, evolving distribution of dislocations.

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References

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