Multi-step mechanism of carbonization in templated polyacrylonitrile derived fibers: ReaxFF model uncovers origins of graphite alignment

Material Science

• Nanotube 100%
• Nanoparticle 100%
• Carbon Nanotube 100%
• Electron Diffraction 100%
• Chemisorption 100%
• Carbon Fiber 100%

Chemical Engineering

• Polyacrylonitrile 100%
• Carbonization 100%
• Chemisorption 33%
• Carbon Nanotube 33%
• Nanoparticle 33%
• Nanotube 33%
• Physisorption 33%
• Carbon Fiber 33%
• Carbon Structure 33%

Keyphrases

• ReaxFF 100%
• Aligned Structure 50%
• Graphite Nanoplatelets 50%
• Fiber Mechanical Properties 50%
• Atomistic Mechanism 50%
• ReaxFF MD 50%
• Carbon Graphite 50%