Force Field Parameter Estimation of Functional Perfluoropolyether Lubricants
Description:
The head disk interface in a hard disk drive can be considered to be one of the hierarchical multiscale systems, which require the hybridization of multiscale modeling methods with coarse-graining procedure. However, the fundamental force field parameters are required to enable the coarse-graining procedure from atomistic/molecular scale to mesoscale models. In this paper, we investigate beyond molecular level and perform ab initio calculations to obtain the force field parameters. Intramolecul…
more
Date:
January 1, 2011
Creator:
Smith, Robert; Chung, P. S.; Steckel, Janice A.; Jhon, Myung S. & Biegler, Lorenz T.
Item Type:
Refine your search to only
Article
Partner:
UNT Libraries Government Documents Department