Analytical model based on cohesive energy to indicate the edge and corner effects on melting temperature of metallic nanoparticles

2010 ◽  
Vol 378 (1-3) ◽  
pp. 14-18 ◽  
Author(s):  
Reza Shidpour ◽  
H. Hamid Delavari ◽  
M. Vossoughi
2014 ◽  
Vol 28 (19) ◽  
pp. 1450157 ◽  
Author(s):  
Kai-Tuo Huo ◽  
Xiao-Ming Chen

Size-dependent melting temperature of metallic nanoparticles is studied theoretically based on cohesive energy. Three factors are introduced in the present model. The k factor, i.e. efficiency of space filling of crystal lattice is defined as the ratio between the volume of the atoms in a crystal cell and that of the crystal cell. The β factor is defined as the ratio between the cohesive energy of surface atom and interior atom of a crystal. The qs factor represents the packing fraction on a surface crystalline plane. Considering the β, qs and k factors, the relationship between melting temperature and nanoparticle size is discussed. The obtained model is compared with the reported experimental data and the other models.


2015 ◽  
Vol 23 (21) ◽  
pp. 27376 ◽  
Author(s):  
Mitradeep Sarkar ◽  
Jean-François Bryche ◽  
Julien Moreau ◽  
Mondher Besbes ◽  
Grégory Barbillon ◽  
...  

Author(s):  
Olga Uvarova ◽  
Sergey Uvarov

The paper considers a mechanism for constructing a model based on artificial neural network for obtaining the values of the cohesive energy of a system of atoms. Cohesive energy allows for calculation of total energy of system. It is one of the most important characteristics of a structure. A computational experiment is carried out for one-component crystal structures of Si, Ge and C.


2011 ◽  
Vol 46 (8) ◽  
pp. 520-527 ◽  
Author(s):  
J.L. Rossi ◽  
A. Simeoni ◽  
B. Moretti ◽  
V. Leroy-Cancellieri

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