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- Title
Quantitative Evaluation of the End-to-End Correlation Vector and of the Mean Square Displacement of the Molecules' Center in a Telechelic Polymer under Several Shear Rates Values.
- Authors
Manassero, Carlo; Castellano, Carlo
- Abstract
The results of molecular dynamics simulations of bead and spring models of telechelic polymers of general formula AB12A at melt-like densities, under a shear rate, are presented. The A atoms, differing from the B ones, have selfassociate properties. In this paper, the quantitative correlation between the mean square displacement of the barycenter of the molecules and the correlation of the end-to-end vector with respect to the time is studied, depending on different values of the A-A interactions (included the one corresponding to the homopolymer, A = B) and of the shear deformation (included the zero, corresponding to the bulk conditions).
- Subjects
TELECHELIC polymers; MEAN square algorithms; MOLECULAR dynamics; MEASUREMENT of shear (Mechanics); DEFORMATION of surfaces
- Publication
Macromolecular Theory & Simulations, 2018, Vol 27, Issue 3, p1
- ISSN
1022-1344
- Publication type
Article
- DOI
10.1002/mats.201700096