On the mechanism of grain-boundary migration in metals: A molecular dynamics study
- Materials Science Division, Argonne National Laboratory, Argonne, Illinois (USA)
The migration of a (100) {theta}=43.6{degree} ({Sigma}29) twist grain boundary is observed during the course of a molecular-dynamics simulation. The atomic-level details of the migration are investigated by determining the time dependence of the planar structure factor, a function of the planar interparticle bond angles, and the location of the center of a mass of planes near the grain boundary. It is found that a migration step consists of local bond rearrangements which, when the simulation cell is made large enough, produce domain-like structures in the migrating plane. Although no overall sliding is observed during migration, a local sliding of the planes near the migrating grain boundary accompanies the migration process. It is suggested that a three-dimensional cloud of thermally produced Frenkel-like point defects near the boundary accompanies, and facilitates, its migration.
- DOE Contract Number:
- W-31-109-ENG-38
- OSTI ID:
- 6185635
- Journal Information:
- Journal of Materials Research; (United States), Vol. 6:11; ISSN 0884-2914
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE
METALS
GRAIN BOUNDARIES
BOND ANGLE
COMPUTERIZED SIMULATION
DIFFUSION
DOMAIN STRUCTURE
FRENKEL DEFECTS
MICROSTRUCTURE
STRUCTURE FACTORS
TIME DEPENDENCE
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
ELEMENTS
POINT DEFECTS
SIMULATION
VACANCIES
665100* - Nuclear Techniques in Condensed Matter Physics - (1992-)
360102 - Metals & Alloys- Structure & Phase Studies