Improved Cohesive Energy of Metallic Nanoparticles by Using L–J Potential with Structural Effect

2019 ◽  
Vol 43 (5) ◽  
pp. 2705-2711 ◽  
Author(s):  
P. Nayak ◽  
S. R. Naik ◽  
D. K. Sar
Keyword(s):  
Cohesive Energy ◽  
Metallic Nanoparticles ◽  
Structural Effect

Size-dependent melting temperature of nanoparticles based on cohesive energy

2014 ◽  
Vol 28 (19) ◽  
pp. 1450157 ◽  
Author(s):  
Kai-Tuo Huo ◽  
Xiao-Ming Chen
Keyword(s):  
Melting Temperature ◽  
Cohesive Energy ◽  
Metallic Nanoparticles ◽  
Present Model ◽  
Packing Fraction ◽  
Size Dependent ◽  
Crystal Cell ◽  
K Factor ◽  
The Relationship ◽  
Crystalline Plane

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.

THE EFFECT OF MIE-TYPE POTENTIAL RANGE ON THE COHESIVE ENERGY OF METALLIC NANOPARTICLES

2007 ◽  
Vol 06 (06) ◽  
pp. 461-466 ◽  
Author(s):  
T. BARAKAT ◽  
O. M. Al-DOSSARY ◽  
A. A. ALHARBI
Keyword(s):  
Cohesive Energy ◽  
Metallic Nanoparticles ◽  
Interatomic Potential ◽  
Potential Range ◽  
Size Dependent ◽  
Dependent Potential ◽  
Experimental Values ◽  
The Right ◽  
Potential Parameters ◽  
Type Potential

We investigate the effect of Mie-type potential range on the cohesive energy of metallic nanoparticles using the size-dependent potential parameters method. The predicted cohesive energy for different cubic structures is observed to decrease with decreasing the particle size, and increase with decreasing the range of the interatomic potential, a result which is in the right direction at least to predict the experimental values of Molybdenum and Tungsten nanoparticles.

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