Growth mechanism and SERS effect of Ag nanowire arrays prepared by solid-state ionics method DOI
Dapeng Xu,

Yarui Liu,

Song Zhang

et al.

Solid State Sciences, Journal Year: 2024, Volume and Issue: 157, P. 107718 - 107718

Published: Oct. 9, 2024

Language: Английский

Electrochemically oxidized carbon fiber surfaces: mechanism-driven models for enhanced surface engineering DOI
Pengcheng Shi, Yingdan Zhu, Chun Yan

et al.

Materials Today Chemistry, Journal Year: 2025, Volume and Issue: 46, P. 102708 - 102708

Published: April 21, 2025

Language: Английский

Citations

0
Atomistic modeling of mesophase pitch-based carbon fiber with realistic structural features and its mechanical response under nanoindentation DOI

Xinjie Wang,

Shidong Pan, Xinzhu Wang

et al.

Journal of Materials Science, Journal Year: 2025, Volume and Issue: unknown

Published: May 7, 2025

Language: Английский

Citations

0
Computational insights into PAN-based carbon fiber advancements: Simulation techniques, microstructural-property relationship, and future directions DOI
Hamza Malik,

Jian He,

Hui Zhang

et al.

International Materials Reviews, Journal Year: 2025, Volume and Issue: unknown

Published: May 21, 2025

Polyacrylonitrile-based carbon fibers (PANCFs) have revolutionized industries since the 1960s due to their superior properties and applications. However, a significant gap remains between performance theoretical potential, highlighting urgent need enhance our understanding of process-structure-performance relationship. Computational simulations, with ability provide analysis from atomic level higher-scale, are essential for bridging this gap. This review provides comprehensive overview advancements in computational simulation techniques produce high-performance PANCFs by optimizing process parameters through simulations. Furthermore, reactive molecular dynamics, density functional theory, atomistic modelling, finite element methods manufacturing systematically evaluated. Simulations play an important role developing identifying novel comonomers PAN precursors, evaluating different solvents during spinning, precise tracking cyclization dehydrogenation mechanisms stabilization, predicting mechanical property losses defects. Moreover, it is demonstrated that how kinetics-driven frameworks accelerate carbonization simulations combining atomic-scale interactions such as ring formation graphitic growth macroscale like temperature pressure. certain limitations remain: unresolved heterogeneous microstructure representation, multiscale disconnects bond-breaking macroscopic fiber evolution, validation barriers oversimplified quasi-2D models. To overcome these problems, possible future directions including advanced force fields, integration, AI-driven modeling could PANCFs.

Language: Английский

Citations

0
Growth mechanism and SERS effect of Ag nanowire arrays prepared by solid-state ionics method DOI
Dapeng Xu,

Yarui Liu,

Song Zhang

et al.

Solid State Sciences, Journal Year: 2024, Volume and Issue: 157, P. 107718 - 107718

Published: Oct. 9, 2024

Language: Английский

Citations

0