In Situ Observation of Antisite Defect Formation during Crystal GrowthPhysical Review Letters
AbstractIn 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.
Copyright OwnerAmerican Physical Society
Citation InformationMatthew J. Kramer, Mikhail I. Mendelev and Ralph E. Napolitano. "In Situ Observation of Antisite Defect Formation during Crystal Growth" Physical Review Letters Vol. 105 (2010) p. 245501
Available at: http://works.bepress.com/ralph_napolitano/2/