Molecular dynamics simulations of crystallization under confinement at triple point conditions

2003 ◽  
Vol 119 (5) ◽  
pp. 2792-2800 ◽  
Author(s):  
Luis G. Cámara ◽  
Fernando Bresme
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Triple Point ◽  
Dynamics Simulations

Determination of Condensation Coefficient and Boundary Condition for Kinetic Theory of Gases by Molecular Dynamics Simulations of Evaporation of Argon Into Vacuum

2003 ◽  
Author(s):  
Tatsuya Ishiyama ◽  
Takeru Yano ◽  
Shigeo Fujikawa
Keyword(s):  
Molecular Dynamics ◽  
Boundary Condition ◽  
Kinetic Theory ◽  
Molecular Dynamics Simulations ◽  
Triple Point ◽  
Kinetic Theory Of Gases ◽  
Condensation Coefficient ◽  
Point Temperature ◽  
Dynamics Simulations ◽  
Triple Point Temperature

Molecular dynamics simulations at liquid-vapor equilibrium condition and evaporation condition into vacuum were carried out to investigate the boundary condition for the kinetic theory of gases. The determination method for condensation coefficient α consistent with the kinetic theory is also proposed. It was found that α for argon at an equilibrium state is close to unity near the triple point temperature of the bulk liquid, and decreases gradually as the temperature rises. The velocity distribution of molecules evaporating into vacuum becomes nearly half-Maxwellian near the triple point temperature, and is deformed as the temperature rises.

Possibility of making aerophobic surfaces by nanoprotrusions: an investigation of atomic-scale friction of the air–solid interfaces

2021 ◽  
Author(s):  
Omid Bavi ◽  
Farhad Ghadak
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Triple Point ◽  
Point Charge ◽  
Solid Surfaces ◽  
Atomic Scale ◽  
Atomic Interaction ◽  
Mass Model ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations

Employing a triple point charge/mass model for air molecules, the atomic interaction of airflow/solid surfaces has been evaluated using all-atom, non-equilibrium molecular dynamics simulations.

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