Molecular Dynamics Simulation of Homogeneous Crystal Nucleation in Polyethylene

Using a realistic united-atom force field, molecular dynamics simulations were performed to study homogeneous nucleation of the crystal phase at about 30% supercooling from the melts of n-pentacontahectane (C150) and a linear polyethylene (C1000), both of which are long enough to exhibit the chain f...

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Bibliographic Details
Main Authors: Yi, Peng (Contributor), Locker, C. Rebecca (Author), Rutledge, Gregory C. (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor), Massachusetts Institute of Technology. Department of Physics (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2014-12-19T20:36:15Z.
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