Transport properties of nanoscale lubricant films

Author

Guo, Qian ; Izumisawa, Satoru ; Jhon, Myung S. ; Hsia, Yiao-Tee

Author_Institution

Dept. of Chem. Eng., Carnegie Mellon Univ., Pittsburgh, PA, USA

Volume

40

Issue

4

fYear

2004

fDate

7/1/2004 12:00:00 AM

Firstpage

3177

Lastpage

3179

Abstract

Off-lattice molecular dynamics simulations based on the coarse-grained bead-spring model via the Langevin equation were performed to simulate the dynamics of a confined nanoscale perfluoropolyether film (i.e., the self-diffusion and relaxation processes). The effects of molecular weight and solid surface attraction on the film diffusion coefficient were studied using the Green-Kubo formula. Via a stretched-exponential model, we investigated the relaxation process of nanofilms, and found that the relaxation spectra were stretched from the exponential decay process for functional endgroups and/or surface attraction.

Keywords

liquid films; molecular dynamics method; molecular weight; nanostructured materials; polymer films; relaxation; transport processes; Green-Kubo formula; Langevin equation; coarse-grained bead-spring model; exponential decay process; film diffusion coefficient; molecular dynamics simulation; molecular weight; nanofilm relaxation; nanoscale lubricant films; nanoscale perfluoropolyether film; off-lattice simulation; relaxation spectra; self-diffusion; solid surface attraction; stretched-exponential model; thin liquid film; transport properties; Bonding; Chemical technology; Equations; Hydrogen; Lubricants; Magnetic films; Magnetic heads; Robustness; Solids; Springs; Bead-spring model; molecular dynamics; perfluoropolyether; relaxation; self-diffusion; thin liquid film;

fLanguage

English

Journal_Title

Magnetics, IEEE Transactions on

Publisher

ieee

ISSN

0018-9464

Type

jour

DOI

10.1109/TMAG.2004.829838

Filename

1325768