Multi-s ale modeling of poly(isoprene) melts
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Multi-scale modeling of poly(isoprene) melts
Atomistic (atom-scale) and coarse-grained (meso-scale) simulations of structure and dynamics of poly-isoprene melts are compared. The local structure and chain packing is mainly determined by the atomistic details of the polymer architecture. The large-time dynamics encountered in NMR experiments can be explained by meso-scale simulations including stiffness. The connecting link between the two...
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تاریخ انتشار 2000