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Analytical coarse grained potential parameterization by Reinforcement Learning for anisotropic cellulose

Dong, Xu
arXiv (All) · Papers
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computational-physics
Cellulose nanocrystals (CNCs) are a type of cellulose with excellent mechanical performance and other merit attributes. According to previous reports, hydrogen bonds play a pivotal role in the anisotropic structure of the CNC. Understanding the structure and mechanical behavior of CNC on a mesoscopi
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