Poly lattice simulation studies

Using field-based models, it is more difficult to provide information about the chain conformation on the surface however, attempts have been made to understand phase separation and mechanical properties of composites. Shou et al. combined SCF/DFT techniques with lattice spring model (LSM) to study the effects of the spatial distribution and aspect ratio of particles (rods and spheres) on the mechanical properties of the composite. Buxton and Balazs combined TDGL theory for polymer blends with BD for nanorods in the simulations of nanocomposites. i A percolating network of nanorods was identified in the minority phase of a bicontinuous structure. Clancy and Gates developed a hybrid model for CNTs in a bulk poly(ethylene vinyl acetate) matrix. Molecular structures of... 

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