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Volumn 79, Issue 14, 2009, Pages

Multiscale simulation of polymer melt viscoelasticity: Expanded-ensemble Monte Carlo coupled with atomistic nonequilibrium molecular dynamics

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EID: 65649119286     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.144302     Document Type: Article
Times cited : (26)

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    • It can be verified that a simple linear superposition of multiple conformation tensors (i.e., the generalized Maxwell model or the Rouse model) would not resolve the issue as long as a zero value of αzz is chosen for each individual mode. Only by allowing for an empirical coupling between different modes of the conformation tensor, one might lead to nonzero value of αzz in certain cases; this is, however, not recommended since one would generally not be able to justify such a coupling on physical grounds.
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