Molecular dynamics simulation for insight into microscopic mechanism of polymer reinforcement.
作者： Jun Liu , Sizhu Wu , Liqun Zhang , Wenchuan Wang , Dapeng Cao
DOI: 10.1039/C0CP00297F
关键词:
摘要: … to initially construct a large system, then the NPT ensemble is adopted, where the temperature and pressure are fixed at T* = 1.0 and P* = 0 respectively by using the Nose-Hoover …
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