Developing Coarse-Grained Force Fields of Poly (methylmethacrylate-b-2-vinylpyridine) from Atomistic Simulation
2012 ◽
Vol 562-564
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pp. 123-128
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Keyword(s):
A coarse-grained force field for poly (methylmethacrylate-b-2-vinyl pyridine) is developed based on the Iterative Boltzmann Inversion method. The proposed coarse-grained model, successfully reproduced the properties of the polymer melts obtained from atomistic simulations, may provide an efficient way to study their mechanical properties and self-assembly behaviors.
2021 ◽
Keyword(s):
2016 ◽
Vol 43
(2)
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pp. 92-101
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Keyword(s):
2014 ◽
Vol 10
(8)
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pp. 3541-3549
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2015 ◽
Vol 11
(6)
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pp. 2889-2889
2017 ◽