Title of article :
Molecular Dynamics Studies of the Kinetics of Phase Changes in Clusters II: Crystal Nucleation from Molten (RbCl)256 and (RbCl)500 Clusters
Author/Authors :
Huang، Jinfan نويسنده , , Ma، Meihua نويسنده , , Lu، Wenqing نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Pages :
-288
From page :
289
To page :
0
Abstract :
Molecular dynamics computer simulations have been carried out to study the effects of cluster size and temperature on the nucleation rate of rubidium chloride clusters in the temperature range of 500–650 K. Clusters with 256 and 500 RbCl molecules have been studied and the results are compared with those obtained from 108 molecule clusters. The melting point (MP) of the clusters was observed to increase with the size of the clusters and can be described by a linear equation MP=997–405 N-1/3, where N is the number of molecules in the cluster. The nucleation rate is found to decrease with increasing cluster size or increasing nucleation temperature. Both classical nucleation theory and diffuse interface theory are used to interpret our observed results.
Keywords :
crystal structure , phosphates , Phase transition , X-ray diffraction , electron microscopy , second-harmonic generation. dielectric properties. , Rietveld method
Journal title :
JOURNAL OF SOLID STATE CHEMISTRY
Serial Year :
2002
Journal title :
JOURNAL OF SOLID STATE CHEMISTRY
Record number :
57520
Link To Document :
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