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Significance of different modes in dynamics of chains in a dense medium
Author(s) -
Erman Burak
Publication year - 1997
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.19971210115
Subject(s) - monte carlo method , atom (system on chip) , trajectory , chain (unit) , statistical physics , decomposition , dynamics (music) , physics , materials science , molecular dynamics , molecular physics , condensed matter physics , chemistry , mathematics , quantum mechanics , statistics , computer science , organic chemistry , acoustics , embedded system
Singular Value Decomposition technique is used to decompose the trajectory of the fluctuations of atom positions into their modes for a chain of fifty bonds embedded in a fluctuating environment. The temperature of the environment is changed according to a Monte Carlo Metropolis scheme. Results show that at low temperatures only a few modes are significant, these being the slowest ones. For high temperatures, on the other hand, higher modes corresponding to fast fluctuations of atom positions are significant as well.