Simulation of Recrystallization Using Molecular Dynamics; Effects of the Interatomic Potential
Recrystallization is governed by the migration of high angle grain boundaries traveling through a deformed material driven by the excess energy located primarily in dislocation structures. A method for investigating the interaction between a migrating grain boundary and dislocation boundaries using...
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Veröffentlicht in: | Materials science forum 2007-01, Vol.558-559, p.1081-1086 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | Recrystallization is governed by the migration of high angle grain boundaries traveling through a
deformed material driven by the excess energy located primarily in dislocation structures. A method
for investigating the interaction between a migrating grain boundary and dislocation boundaries
using molecular dynamics (MD) was recently developed. During simulations migrating high angle
grain boundaries interact with dislocation boundaries, and individual dislocations from the
dislocation boundaries are absorbed into the grain boundaries. Results obtained previously, using a
simple Lennard-Jones (LJ) potential, showed surprisingly irregular grain boundary migration
compared to simulations of grain boundary migration applying other types of driving forces.
Inhomogeneous boundary-dislocation interactions were also observed in which the grain boundaries
locally acquired significant cusps during dislocation absorption events. The study presented here
makes comparisons between simulations performed using a LJ- and an embedded atom method
(EAM) aluminum potential. The results show similarities which indicate that it is the
crystallographic features rather than the atomic interactions that determine the details of the
migration process. |
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ISSN: | 0255-5476 1662-9752 1662-9752 |
DOI: | 10.4028/www.scientific.net/MSF.558-559.1081 |