Melting and liquid structure of aluminum oxide using a molecular-dynamics simulation

1998 ◽  
Vol 57 (2) ◽  
pp. 1673-1676 ◽  
Author(s):  
Rajeev Ahuja ◽  
A. Belonoshko ◽  
Börje Johansson
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aluminum Oxide ◽  
Liquid Structure ◽  
Dynamics Simulation

Liquid structure of Al-Si alloy: A molecular dynamics simulation

2019 ◽  
Vol 503-504 ◽  
pp. 182-185 ◽  
Author(s):  
Xiusong Huang ◽  
Xixi Dong ◽  
Lehua Liu ◽  
Peijie Li
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Liquid Structure ◽  
Dynamics Simulation

Molecular dynamics simulations of phosphonic acid–aluminum oxide self-organization and their evolution into ordered monolayers

2017 ◽  
Vol 19 (7) ◽  
pp. 5137-5144 ◽  
Author(s):  
H. Dietrich ◽  
T. Schmaltz ◽  
M. Halik ◽  
D. Zahn
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aluminum Oxide ◽  
Surface Interactions ◽  
Dynamics Simulation ◽  
Self Organization ◽  
Self Assembled Monolayers ◽  
Simulation Approach ◽  
Assembled Monolayers ◽  
Dynamics Simulations

We outline an unprejudiced molecular dynamics simulation approach to study the mechanisms of self-organization encompassing the evolution of surfactant–surface interactions to the growth of self-assembled monolayers (SAMs).

Thermal Transpiration of Liquid in Nanoscale Channel: A Molecular Dynamics Simulation Study

2007 ◽  
Vol 364-366 ◽  
pp. 879-884
Author(s):  
Min Sub Han
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Gradient ◽  
Thermal Gradient ◽  
Liquid Structure ◽  
High Energy ◽  
Dynamics Simulation ◽  
Thermal Transpiration ◽  
Fluid Systems ◽  
Two Fluid

The liquid flow in nanoscale channel under thermal gradient, or so-called thermal transpiration, is studied by Molecular Dynamics Simulation. The phenomenon was realized in two fluid systems which differed from each other in the methods for applying the temperature gradient. One used heat source and the other wall-heating. The channel was periodic and its walls consisted of two different materials: conducting, high energy wall and non-conducting slip wall. It is shown that the liquid in a periodic channel can effectively be driven by the thermal transpiration. Various characteristics of the flow are discussed that include the temperature gradient, velocity profile and liquid structure in the channel.

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