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Modeling the diffusion barrier for polymer crystallization
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DOI：10.1016/j.polymer.2026.130248.png)
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Abstract
En 中文
• Verification of polymer digitalization approach to crystallization kinetics; • Both intra-chain and inter-chain barriers were properly set up in the approach; • Kinetic MC simulations reproduced Turnbull-Fisher equation of nucleation rates; • Kinetic barriers reproduced the suppression of crystallinity and crystal thickness.
Keywords:
polymer crystallization
diffusion barrier
kinetic Monte Carlo simulations
nucleation rate
crystallinity suppression