Atoms to fibers: Identifying novel processing methods in the synthesis of pitch-based carbon fibers.

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-modulu

SUBMITTER: Jana A 

PROVIDER: S-EPMC8932655 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature