https://doi.org/10.1140/epjb/e2008-00245-3
Hetero-phase fluctuations in the pre-melting region in ionic crystals
1
Nagaoka National College of Technology, Nagaoka, 940-8532, Japan
2
Department of Physics, Faculty of Science, Niigata University, Niigata, Japan
Corresponding author: a matsu@nagaoka-ct.ac.jp
Received:
20
September
2007
Revised:
17
March
2008
Published online:
27
June
2008
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 pre-melting 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.
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
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2008
