| Issue |
E3S Web Conf.
Volume 446, 2023
2nd International Conference on High-Speed Transport Development (HSTD 2023)
|
|
|---|---|---|
| Article Number | 03004 | |
| Number of page(s) | 9 | |
| Section | Design, Strength, New Materials | |
| DOI | https://doi.org/10.1051/e3sconf/202344603004 | |
| Published online | 10 November 2023 | |
Quantum-chemical simulation for production technologies of high-strength Zylon fibers
1 Institute of Applied Mechanics, RAS, Moscow, Russia
2 Skobeltsyn Institute of Nuclear Physics, MSU, Moscow, Russia
2 Moscow Institute of Physics and Technology, Dolgoprudny, Russia
* Corresponding author: iam@iam.ras.ru
† Corresponding author: nikitin.sergey@gmail.com
‡ Corresponding author: dinpro@mail.ru
Using computer simulation methods, the geometry of the blocks that make up the Zylon polymer chain was established, the impossibility of the existence of a strictly linear polymer was shown, as well as the rotational barrier of the conformational transition of the benzobisoxazole block. computed. An assumption was made about the possibility of the transition of Zylon into various conformational states when creating high-strength fibers.
© The Authors, published by EDP Sciences, 2023
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