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|Title:||Probing the structure and energetics of dislocation cores in sige alloys through Monte Carlo simulations||Authors:||Remediakis, Ioannis N.
Jesson, David E.
Kelires, Pantelis C.
|Keywords:||Computer simulation;Continuum mechanics;Germanium alloys;Topology;Silicon alloys||Category:||Physical Sciences||Field:||Engineering and Technology||Issue Date:||2006||Publisher:||APS American Physical Society||Source:||Physical Review Letters,2006, Volume 97, Issue 25||Journal:||Physical Review Letters||Abstract:||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° glide dislocations in segregated SiGe alloys which are inaccessible by other methods.||URI:||http://ktisis.cut.ac.cy/handle/10488/7597||ISSN:||0031-9007 (print)
|DOI:||10.1103/PhysRevLett.97.255502||Rights:||© 2006 The American Physical Society.||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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