Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field

Physics & Astronomy

• carbonization 100%
• field theory (physics) 76%
• polymers 44%
• polyacrylonitrile 33%
• carbon fibers 27%
• chemistry 21%
• rings 17%
• carbon 16%
• low molecular weights 15%
• data simulation 14%
• ladders 13%
• alignment 9%
• density functional theory 9%
• simulation 9%
• mechanical properties 8%
• kinetics 7%
• gases 6%

Engineering & Materials Science

• Carbonization 98%
• Polymers 55%
• Polyacrylonitriles 37%
• Carbon fibers 23%
• Carbon 19%
• Density functional theory 18%
• Ladders 15%
• Molecular weight 14%
• Mechanical properties 8%
• Gases 7%

Chemical Compounds

• Force 51%
• Simulation 47%
• Carbon Fiber 46%
• Chemistry 29%
• Ring Formation 26%
• Molecular Cluster 16%
• Density Functional Theory 15%
• Gas 13%