Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session N00: Poster Session II (11:30am-2:30pm CST)
11:30 AM,
Wednesday, March 6, 2024
Room: Hall BC
Sponsoring
Unit:
APS/SPS
Abstract: N00.00106 : Molecular dynamics study on the stress-thermal relation of polymer melts under shear flows
Presenter:
Kotaro Oda
(Graduate school of information science University of Hyogo)
Authors:
Kotaro Oda
(Graduate school of information science University of Hyogo)
Shugo Yasuda
(Graduate school of information science University of Hyogo)
In this study, we investigate the stress-thermal relation of polymer melts under shear flows using a non-equilibrium molecular dynamics simulation, specifically employing the reversed non-equilibrium molecular dynamics (RNEMD) method. We made slight modifications to the source code of RNEMD in the LAMMPS package to concurrently achieve both temperature and velocity gradients.
Our main finding is that the stress-thermal rule is applicable to entangled polymer melts but not to non-entangled polymer melts. This characteristic sets it apart from the stress-optical rule, which uniformly applies to polymer melts, regardless of entanglement. Additionally, it has been revealed that once the linear stress-thermal rule is established, its coefficient in the linear relation remains independent of the length of polymer chains.
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