The temperature dependence of the vacancy concentration in (U, Pu)O2 crystals. A molecular dynamics simulation

2018 ◽  
Author(s):  
I. A. Popov ◽  
K. A. Nekrasov ◽  
D. D. Seitov ◽  
S. K. Gupta
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Vacancy Concentration ◽  
Dynamics Simulation

scholarly journals 1B0945 Temperature Dependence of H-bonding States of Proteins by Molecular Dynamics Simulation

2002 ◽  
Vol 42 (supplement2) ◽  
pp. S17
Author(s):  
Y. Awano ◽  
K. Mori ◽  
Y. Yamada ◽  
Y. Seki ◽  
K. Soda
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Dynamics Simulation

scholarly journals Temperature dependence of the interfacial bonding characteristics of silica/styrene butadiene rubber composites: a molecular dynamics simulation study

RSC Advances ◽  
2019 ◽  
Vol 9 (68) ◽  
pp. 40062-40071 ◽  
Author(s):  
Yanlong Luo ◽  
Haobei Liu ◽  
Bo Xiang ◽  
Xianling Chen ◽  
Wei Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Styrene Butadiene Rubber ◽  
Butadiene Rubber ◽  
Rubber Composites ◽  
Styrene Butadiene ◽  
Bonding Characteristics

Temperature dependence of the interface between silica and styrene butadiene rubber modified by 3-mercaptopropionic acid was investigated by molecular dynamics simulation.

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