Title of article :
Modeling the cohesive energy and melting point of nanoparticles by their average coordination number
Author/Authors :
M. Attarian Shandiz، نويسنده , , M. and Safaei، نويسنده , , A. and Sanjabi، نويسنده , , Marna S. and Barber، نويسنده , , Z.H.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2008
Pages :
6
From page :
432
To page :
437
Abstract :
We present a relation between the average coordination number and the cohesive energy for nanoparticles that shows that the ratio of nanoparticles cohesive energy to the bulk value is equal to the ratio of the nanoparticles average coordination number to that of the bulk. We consider the effect of lattice and surface packing factors on the average coordination numbers of the atoms in the nanoparticle. The melting temperature of nanoparticles has been calculated from the obtained relation for cohesive energy, and predictions for the cohesive energy and melting temperature of the nanoparticles have been compared with other theoretical models and available experimental data and the results of molecular dynamics simulations.
Keywords :
C: Crystal structure , D: Thermodynamic properties , A: Nanostructures
Journal title :
Solid State Communications
Serial Year :
2008
Journal title :
Solid State Communications
Record number :
1764159
Link To Document :
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