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https://hdl.handle.net/20.500.14279/1033
Τίτλος: | Probing the structure and energetics of dislocation cores in sige alloys through Monte Carlo simulations | Συγγραφείς: | Remediakis, Ioannis N. Jesson, David E. Kelires, Pantelis C. |
Major Field of Science: | Engineering and Technology | Field Category: | Physical Sciences | Λέξεις-κλειδιά: | Computer simulation;Continuum mechanics;Germanium alloys;Topology;Silicon alloys | Ημερομηνία Έκδοσης: | 9-Ιου-2006 | Πηγή: | Physical Review Letters, 2006, vol. 97, no. 25 | Volume: | 97 | Issue: | 25 | Περιοδικό: | Physical review letters | Περίληψη: | 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: | https://hdl.handle.net/20.500.14279/1033 | ISSN: | 10797114 | DOI: | 10.1103/PhysRevLett.97.255502 | Rights: | © The American Physical Society | Type: | Article | Affiliation: | Cyprus University of Technology | Affiliation: | Cyprus University of Technology University of Crete Monash University |
Publication Type: | Peer Reviewed |
Εμφανίζεται στις συλλογές: | Άρθρα/Articles |
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