Energy Renormalization for Coarse‐Graining Polymers with Different Fragilities: Predictions from the Generalized Entropy Theory
Abstract
Bottom‐up prediction of physical performance of glass‐forming (GF) polymers via coarse‐grained (CG) modeling is challenging because these CG models normally experience significantly altered dynamics that strongly vary with temperature. Building upon the recently developed energy‐renormalization (ER) coarse‐graining method based on molecular dynamics simulations, generalized entropy theory (GET) is employed to theoretically investigate the...
Paper Details
Title
Energy Renormalization for Coarse‐Graining Polymers with Different Fragilities: Predictions from the Generalized Entropy Theory
Published Date
Jan 3, 2020
Volume
29
Issue
2
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