Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/101001
Type: Artigo de periódico
Title: Unstable Stacking Fault Free Energies In Silicon Through Empirical Modeling
Author: De Koning M.
Antonelli A.
Bazant M.Z.
Kaxiras E.
Justo J.F.
Abstract: The temperature dependence of unstable stacking fault free energies on glide and shuffle {111} planes in silicon is investigated using a finite temperature molecular dynamics approach which includes a full treatment of anharmonic vibrational effects. The results are compared to earlier zero temperature ab initio calculations in which finite temperature effects were estimated using a harmonic approximation to transition state theory (TST). The unstable stacking free energies are interpreted within the framework of Rice's dislocation nucleation criterium to characterize a possible change from shuffle to glide plane dominance in the context of dislocation nucleation processes at a sharp crack tip. Such a change may be related to the abrupt brittle-ductile transition observed in silicon.
Editor: Materials Research Society, Warrendale, PA, United States
Rights: fechado
Identifier DOI: 
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-0032591907&partnerID=40&md5=5ce5e08e0230a110ae1cba7042f9092a
Date Issue: 1999
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
File Description SizeFormat 
2-s2.0-0032591907.pdf67.83 kBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.