In Situ Observation of Antisite Defect Formation during Crystal Growth

TitleIn Situ Observation of Antisite Defect Formation during Crystal Growth
Publication TypeJournal Article
Year of Publication2010
AuthorsKramer MJ, Mendelev MI, Napolitano RE
Journal TitlePhysical Review Letters
Volume105
Pages245501
Date Published12
Type of ArticleArticle
ISBN Number0031-9007
Accession NumberISI:000286744500008
Keywordsalloys, CRYSTALLIZATION, liquid, model, solidification, transition
Abstract

In situ x-ray diffraction (XRD) coupled with molecular dynamics (MD) simulations have been used to quantify antisite defect trapping during crystallization. Rietveld refinement of the XRD data revealed a marked lattice distortion which involves an a axis expansion and a c axis contraction of the stable C11b phase. The observed lattice response is proportional in magnitude to the growth rate, suggesting that the behavior is associated with the kinetic trapping of lattice defects. MD simulations demonstrate that this lattice response is due to incorporation of 1% to 2% antisite defects during growth.

URL<Go to ISI>://000286744500008
DOI10.1103/PhysRevLett.105.245501
Alternate JournalPhys. Rev. Lett.