Atoms to fibers: Identifying novel processing methods in the synthesis of pitch-based carbon fibers.
Name
sciadv.abn1905.pdf
Description
Published version
Size
3.53 MB
Format
Unknown
Checksum (MD5)
47029ecd148f5df3d9bd918b22c0d3df
Author(s)
Jana, Asmita
Zhu, Taishan
Wang, Yanming
Adams, Jeramie J
Kearney, Logan T
Naskar, Amit K
Grossman, Jeffrey C
Ferralis, Nicola
Date Issued
March 2022
Journal
Sci Adv
Citation
Jana, Asmita, Zhu, Taishan, Wang, Yanming, Adams, Jeramie J, Kearney, Logan T et al. 2022. "Atoms to fibers: Identifying novel processing methods in the synthesis of pitch-based carbon fibers.." Sci Adv, 8 (11).
Version
Final published version
Abstract
Understanding and optimizing the key mechanisms used in the synthesis of pitch-based carbon fibers (CFs) are challenging, because unlike polyacrylonitrile-based CFs, the feedstock for pitch-based CFs is chemically heterogeneous, resulting in complex fabrication leading to inconsistency in the final properties. In this work, we use molecular dynamics simulations to explore the processing and chemical phase space through a framework of CF models to identify their effects on elastic performance. The results are in excellent agreement with experiments. We find that density, followed by alignment, and functionality of the molecular constituents dictate the CF mechanical properties more strongly than their size and shape. Last, we propose a previously unexplored fabrication route for high-modulus CFs. Unlike graphitization, this results in increased sp3 fraction, achieved via generating high-density CFs. In addition, the high sp3 fraction leads to the fabrication of CFs with isometric compressive and tensile moduli, enabling their potential applications for compressive loading.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Terms of Use
Attribution-NonCommercial-ShareAlike 4.0
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DOI of Published Version
https://doi.org/10.1126/sciadv.abn1905
