Atoms to fibers: Identifying novel processing methods in the synthesis of pitch-based carbon fibers
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Massachusetts Institute of Technology, Cambridge, MA, USA
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Western Research Inst., Laramie, WY (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
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 hetero- geneous, 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.
- Research Organization:
- Western Research Inst., Laramie, WY (United States)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office
- Grant/Contract Number:
- EE0008203; AC05-00OR22725
- OSTI ID:
- 1855716
- Alternate ID(s):
- OSTI ID: 1856689
- Journal Information:
- Science Advances, Journal Name: Science Advances Journal Issue: 11 Vol. 8; ISSN 2375-2548
- Publisher:
- AAASCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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