Reliability of Classical Molecular Dynamics Method to Thermodynamic Properties of Hydrogen

2010 ◽  
Author(s):  
Hiroki Nagashima ◽  
Takashi Tokumasu ◽  
Shin-ichi Tsuda ◽  
Nobuyuki Tsuboi ◽  
Koichi Hayashi
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Molecular Dynamics Method ◽  
Classical Molecular Dynamics ◽  
Dynamics Method

J053033 An Analysis of Thermodynamic Properties of Cryogenic Hydrogen using Path Integral Centroid Molecular Dynamics Method

2012 ◽  
Vol 2012 (0) ◽  
pp. _J053033-1-_J053033-4
Author(s):  
Hiroki NAGASHIMA ◽  
Shin-ichi TSUDA ◽  
Nobuyuki TSUBOI ◽  
Mitsuo KOSHI ◽  
Koichi HAYASHI ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Path Integral ◽  
Molecular Dynamics Method ◽  
Dynamics Method

scholarly journals SIMULATION OF TRANSPORT PHENOMENA OF FULLERENES IN THE FLUID BY METHOD OF MOLECULAR DYNAMICS

2017 ◽  
Vol 17 (5) ◽  
pp. 93-103
Author(s):  
E.D. Gayduk ◽  
V.A. Saleev
Keyword(s):  
Molecular Dynamics ◽  
Solid Particle ◽  
Effective Potential ◽  
Transport Phenomena ◽  
Molecular Dynamics Method ◽  
Classical Molecular Dynamics ◽  
Method Of Molecular Dynamics ◽  
Dynamics Method

In the frameworks of classical molecular dynamics method the coefficients ofdiffusion and viscosity of fullerenes in fluid (benzol) depending on the temperature of nanosuspension have been calculated.The effective potential of fullerenemolecule interaction used in calculations is obtained under the assumption ofadditivity of fullerene and fluid molecules interaction, where fullerene is considered as a solid particle.

scholarly journals Parameter Physics on Hydrogen Storage by Classical Molecular Dynamics Method

2008 ◽  
Vol 49 (9) ◽  
pp. 1983-1986 ◽  
Author(s):  
Hiroshi Ogawa ◽  
Akinori Tezuka ◽  
Hao Wang ◽  
Tamio Ikeshoji ◽  
Masahiko Katagiri
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Storage ◽  
Molecular Dynamics Method ◽  
Classical Molecular Dynamics ◽  
Dynamics Method
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