Mechanical behavior and modification of poly-ether-ether-ketone using a molecular dynamics method

Mechanical behavior and modification of poly-ether-ether-ketone using a molecular dynamics method

The molecular dynamics method was employed to predict the tensile mechanical properties of polyether-ether-ketone (PEEK). Non-equilibrium tensile simulation with anisotropic pressure control was employed to obtain the stress-strain curve of PEEK, and to calculate the elastic modulus, yield strength...

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Bibliographic Details
Main Authors: ZHANG Ke, YAO Chongyang, LI Dongyu, NIU Fei, WANG Bo, LI Tong
Format: Article
Language:zho
Published: Journal of Aeronautical Materials 2022-04-01
Series:Journal of Aeronautical Materials
Subjects:
poly-ether-ether-ketone
molecular dynamics
mechanical property
non-bonded interaction
amino functionalization
Online Access:http://jam.biam.ac.cn/article/doi/10.11868/j.issn.1005-5053.2021.000143

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