Size and shape dependent thermal properties of rutile TiO2 nanoparticles: a molecular dynamics simulation study

2020 ◽  
Vol 46 (5) ◽  
pp. 341-349
Author(s):  
Hadi Alizadeh ◽  
Matin Alsadat Mostaan ◽  
Nader Malih ◽  
Jamal Davoodi
Keyword(s):  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulation ◽  
Tio2 Nanoparticles ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Rutile Tio2 ◽  
Size And Shape

Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores

RSC Advances ◽  
2016 ◽  
Vol 6 (47) ◽  
pp. 41410-41419 ◽  
Author(s):  
Liyuan Dong ◽  
Yuhong Li ◽  
Ram Devanathan ◽  
Fei Gao
Keyword(s):  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation

We present a comprehensive simulation study of the effect of composition on the structural, elastic and thermal properties of 25 different compounds from the pyrochlore family.

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