Bobby G. Sumpter

TL;DR: In this article, the microscopic relaxation mechanism of entangled polymer melts after a large step uniaxial extension was examined by using large-scale molecular dynamics simulation, and it was shown that the unique structural features associated with the chain retraction mechanism of the tube model are absent in their simulations, in agreement with the previous experimental results.

TL;DR: In this paper, the formation of non-covalent electron donor-acceptor (EDA) interactions between polymers and single-walled carbon nanotubes (SWNTs) with the goal of optimizing interfacial adhesion and homogeneity of nanocomposites without modifying the SWNT native surface was investigated.

TL;DR: In this article, the authors developed a Behler-Parrinello-type neural network (NN) to improve the density functional tight-binding (DFTB) energy and force prediction.

TL;DR: In this paper, the fundamental underlying forces that promote the self-assembly processes are elucidated, and the bulk morphologies formed by a new class of charged block copolymers, 75 vol % fluorinated polyisoprene (FPI) and 25 vol% sulfonated polystyrene (PSS) with 50% sulfonic sulfonation, are characterized, and a physical understanding based on the underlying strong electrostatic interactions between the charged block and counterions is obtained using Monte Carlo (MC) and Molecular Dynamics (MD) simulations.

TL;DR: In this paper, the phase separation behavior of polymer-blend systems in spherical microparticles generated from microdroplets of dilute polymer solution is investigated using two-dimensional optical diffractiona technique.