RecordNumber :
248
Doc. No. :
274A
Call. No. :
274A
Author :
Amini, M.,Akbarzadeh, H.
Title of Article :

Investigation of melting by molecular dynamics simulation

Title Of Periodical :
JOURNAL OF ENGINEERING ISLAMIC REPUBLIC OF IRAN
VolumNumber :
V.8,No.2
Date :
(1995)
Page :
P.85-93
Abstract :
The melting of a 64 ion microcrystal of DCL was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural poperties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. The simulation indicated that the melting temperature of the microcrystal is lower than the experimental value of he bulk, which is consistent with the Gibbs-Thompson relation. It is shown than all the features of the metling transition which are observed in a bulk system are alao exhibited by such a small microcrystal. The simulation isprogrammed in FORTRAN and run on a PC.
Indexer :
77/03
IndexDate :
Shahsavaruy
اطلاعات ثبت :
GN129367
Link To Document :

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