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Velocity time correlation function of a rouse chain.

Authors :
Wong, Chi Pui Jeremy
Choi, Phillip
Source :
Computational Materials Science. Dec2018, Vol. 155, p320-324. 5p.
Publication Year :
2018

Abstract

Graphical abstract Highlights • Inclusion of the inertia term gives the velocity time correlation function. • TCFs of different normal modes can be either overdamped or underdamped. • The rotational time correlation function isalways overdamped. Abstract In this paper, with the inclusion of inertia term in the equation of motion, the expression of the velocity time correlation of a Rouse chain, for which hydrodynamic interactions are neglected, is analytically derived. For long time scale mode of motion, the velocity time correlation function is an exponential decay function of time, whereas for short time scale mode of motion, it is a damped oscillatory function of time. This was confirmed by our numerical simulation results. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
09270256
Volume :
155
Database :
Academic Search Index
Journal :
Computational Materials Science
Publication Type :
Academic Journal
Accession number :
132487209
Full Text :
https://doi.org/10.1016/j.commatsci.2018.08.042