Growth Mechanism of a Gas Clathrate Hydrate from a Dilute Aqueous Gas Solution:  A Molecular Dynamics Simulation of a Three-Phase System

2006 ◽  
Vol 110 (33) ◽  
pp. 16526-16534 ◽  
Author(s):  
Hiroki Nada
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Growth Mechanism ◽  
Clathrate Hydrate ◽  
Dynamics Simulation ◽  
Phase System ◽  
Three Phase

Study of growth mechanism of TiC cluster in ferrite via molecular dynamics simulation

2015 ◽  
Vol 159 ◽  
pp. 389-391 ◽  
Author(s):  
Yanan Lv ◽  
Peter Hodgson ◽  
Lingxue Kong ◽  
Weimin Gao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Growth Mechanism ◽  
Dynamics Simulation

Nanostructures Length Effect on Phase Transition Phenomena of Ultra-Thin Liquid Film From a Nanostructured Surface: A Molecular Dynamics Study

2011 ◽  
Author(s):  
A. K. M. M. Morshed ◽  
T. C. Paul ◽  
Jamil A. Khan
Keyword(s):  
Molecular Dynamics ◽  
Film Thickness ◽  
Liquid Film ◽  
Solid Surface ◽  
Thin Liquid Film ◽  
Liquid Argon ◽  
Liquid Film Thickness ◽  
Dynamics Simulation ◽  
Phase System ◽  
Three Phase

A molecular dynamics simulation has been employed to investigate the boiling phenomena of few molecular-layer thin liquid-film adsorbed on a nanoscale roughened solid surface. The molecular system comprises of three phase system: solid platinum wall, liquid argon and argon vapor. A few layer of liquid argon has been placed on the nanoposts decorated solid surface where nanoposts ensemble surface roughness. Nanoposts height has been varied keeping liquid film thickness constant to capture three scenario: (i) Liquid-film thickness is higher than the height of the nanoposts (ii) Liquid-film and nanoposts are of same height (iii) Liquid-film thickness is less than the height of the nanoposts. Rest of the simulation box space has been filled with argon vapor. The simulation starts from the equilibrium three phase system and then suddenly the wall is heated to a higher temperature which resembles an ultra fast laser heating. Two different jump temperatures has been selected: one is a few degrees above the boiling point to initiate normal evaporation and the other one is far above the critical point temperature to initiate explosive boiling. Simulation results indicate nanostructures play significant role in both the cases. Argon responds very quickly in the nanoposts decorated surface and evaporation rate increases with the nanoposts height. Different boiling behavior has been observed for the nanoposts decorated surface.

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