scholarly journals Molecular Dynamics Simulations of Sputtering of Langmuir−Blodgett Multilayers by Kiloelectronvolt C60 Projectiles

2009 ◽  
Vol 113 (14) ◽  
pp. 5641-5648 ◽  
Author(s):  
R. Paruch ◽  
L. Rzeznik ◽  
B. Czerwinski ◽  
B. J. Garrison ◽  
N. Winograd ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Langmuir Blodgett ◽  
Dynamics Simulations

Molecular dynamics simulations of sliding friction of Langmuir-Blodgett monolayers

1996 ◽  
Vol 464 ◽  
Author(s):  
Asako Koike ◽  
Makoto Yoneya ◽  
Yutaka Ito
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Frictional Force ◽  
Sliding Friction ◽  
Frictional Coefficient ◽  
Perfluorocarboxylic Acid ◽  
Langmuir Blodgett ◽  
Simulation Results ◽  
Dynamics Simulations ◽  
Frictional Coefficients

AbstractMolecular dynamics simulations have been performed to study friction in Langmuir-Blodgett monolayers of perfluorocarboxylic acid, semifluoro acid and hydrocarboxylic acid on SiO2. The frictional coefficient of perfluorocarboxylic acid is about three times as large as that of hydrocarboxylic acid, while the frictional coefficient of semifluorocarboxylic acid is about two times as large as that of hydrocarboxylic acid. The qualitative aspects of these simulation results are consistent with known experimental results. In order to interpret the difference in the frictional coefficient, a series of simulations have been carried out by changing molecular potential parameters. The simulation results suggest that the 1,4-van der Waals interaction is the main cause of the larger frictional force for perfluorocarboxylic acid than that for hydrocarboxylic acid. Further frictional coefficients of semifluorocarboxylic acid are found to change by the fluorination ratio. The results also show that frictional force is roughly proportional to the excess r.m.s. fluctuation of the potential energy under shear from the equilibrium. The relation between the frictional force and the energy needed for molecular deformation under shear conditions is also discussed.

Sign in / Sign up

Export Citation Format

Share Document