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Hetero-phase fluctuations in the pre-melting region in ionic crystals
Authors:S Matsunaga  S Tamaki
Institution:(1) Nagaoka National College of Technology, Nagaoka 940-8532, Japan;(2) Department of Physics, Faculty of Science, Niigata University, Niigata, Japan
Abstract:The theory of the pre-melting phenomena in ionic crystals on the basis of the concept of the hetero phase fluctuation has been applied to KCl and AgCl crystal. The large scale molecular dynamics simulations (MD) in KCl and AgCl crystals are also performed to examine the ionic configuration in premelting region in the vicinity of their melting points. The size of the liquid like clusters are estimated by the theory and MD. The structural features of liquid like clusters are discussed by MD results using the Lindemann instability condition. The ionic conductivities in the pre-melting region are also discussed on the same theoretical basis.
Keywords:PACS" target="_blank">PACS  61  72  Bb Theories and models of crystal defects  61  20  Ja Computer simulation of liquid structure  65  40  -b Thermal properties of crystalline solids  66  10  Ed Ionic conduction
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