@article{78e0674a0b0744ffa60b3b43099d7b9f,
title = "Converting PBO fibers into carbon fibers by ultrafast carbonization",
abstract = "We report an ultrafast transformation of poly(p-phenylene-2,6-benzobisoxazole) (PBO) fibers into carbon fibers (CFs) by direct carbonization that eliminates high-cost oxidation in traditional CF conversion. Ultrafast heating and cooling render PBO-derived CFs superlative mechanical properties. ReaxFF atomistic-scale reactive molecular dynamics simulations unveil the PBO to CF conversion mechanism in which ultrafast heating suppresses the O-contained gas release, facilitating all-carbon rings alignment during the carbonization of PBO. These findings provide new guidelines for identifying and evaluating alternative CF precursors and fresh perspectives on smart manufacturing of CFs.",
author = "Liwen Zhang and Ma{\l}gorzata Kowalik and Zan Gao and Ashraf, {Chowdhury M.} and Siavash Rajabpour and Clifton Bumgardner and Yosyp Schwab and Behzad Damirchi and Jiadeng Zhu and Dooman Akbarian and Klett, {James W.} and {van Duin}, {Adri C.T.} and Xiaodong Li",
note = "Funding Information: Financial support for this study was provided by the U.S. Department of Energy, Vehicle Technologies Office (DE-EE0008195). The authors thank the staff members at the University of Virginia NMCF for XRD and electron microscopy technical support and thank Prof. Philip Bradford's group in North Carolina State University for furnace support. Funding Information: Financial support for this study was provided by the U.S. Department of Energy, Vehicle Technologies Office ( DE-EE0008195 ). The authors thank the staff members at the University of Virginia NMCF for XRD and electron microscopy technical support and thank Prof. Philip Bradford{\textquoteright}s group in North Carolina State University for furnace support. Appendix A Publisher Copyright: {\textcopyright} 2019 Elsevier Ltd",
year = "2020",
month = apr,
day = "15",
doi = "10.1016/j.carbon.2019.12.067",
language = "English (US)",
volume = "159",
pages = "432--442",
journal = "Carbon",
issn = "0008-6223",
publisher = "Elsevier Limited",
}