Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations

Micron ◽  
2013 ◽  
Vol 44 ◽  
pp. 410-418 ◽  
Author(s):  
Cheng-Da Wu ◽  
Te-Hua Fang ◽  
Jen-Fin Lin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembled Monolayer ◽  
Self Assembled ◽  
Dynamics Simulations

Phonon interference at self-assembled monolayer interfaces: Molecular dynamics simulations

2010 ◽  
Vol 81 (23) ◽  
Author(s):  
Lin Hu ◽  
Lifa Zhang ◽  
Ming Hu ◽  
Jian-Sheng Wang ◽  
Baowen Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembled Monolayer ◽  
Self Assembled ◽  
Dynamics Simulations

Molecular Dynamics Study of Interfacial Thermal Resistance of Mercapto-Alkanol Self-Assembled Monolayer and Water

2009 ◽  
Author(s):  
Touru Kawaguchi ◽  
Gota Kikugawa ◽  
Ikuya Kinefuchi ◽  
Taku Ohara ◽  
Shinichi Yatuzuka ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Thermal Resistance ◽  
Chem Phys ◽  
Nonequilibrium Molecular Dynamics ◽  
Interfacial Thermal Resistance ◽  
Water Molecules ◽  
Self Assembled Monolayer ◽  
Self Assembled ◽  
Dynamics Simulations

The interfacial thermal resistance of 11-mercaptoundecanol (-S(CH2)11OH) self-assembled monolayer (SAM) adsorbed on Au(111) substrate and water was investigated using nonequilibrium molecular dynamics simulations. The interfacial thermal resistance was found to be a half of that in the system which consists of 1-dodecanthiol (-S(CH2)11CH3) SAM adsorbed on Au(111) and toluene [Kikugawa G. et al., J. Chem. Phys. (2009)]. The effective thermal energy transfer originates from hydrogen-bond structure between the SAM and water molecules in spite of weak structurization of water molecules near the SAM surface.

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