Probing the Structure and Energetics of Dislocation Cores in SiGe Alloys through Monte Carlo Simulations

We present a methodology for the investigation of dislocation energetics in segregated alloys based on Monte Carlo simulations which equilibrate the topology and composition of the dislocation core and its surroundings. An environment-dependent partitioning of the system total energy into atomic con...

Full description

Saved in:
Bibliographic Details
Published in:arXiv.org 2006-11
Main Authors: Remediakis, Ioannis N, Jesson, David E, Kelires, Pantelis C
Format: Article
Language:English
Subjects:
Computer simulation
Dislocations
Economic models
Elasticity
Monte Carlo simulation
Silicon germanides
Topology
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:We present a methodology for the investigation of dislocation energetics in segregated alloys based on Monte Carlo simulations which equilibrate the topology and composition of the dislocation core and its surroundings. An environment-dependent partitioning of the system total energy into atomic contributions allows us to link the atomistic picture to continuum elasticity theory. The method is applied to extract core energies and radii of 60 degrees glide dislocations in segregated SiGe alloys which are inaccessible by other methods.
ISSN:2331-8422