2 papers
physics.chem-ph2020
ReaxFF reactive force field study of polymerization of polymer matrix in carbon nanotube-composite system
Behzad Damirchi, Matthew Radue, Krishan Kanhaiya +3
Human transport to Mars and deep space explorations demand the development of new materials with extraordinary high performance-to-mass ratios. Promising candidates to fulfill thes…
physics.chem-ph2019
Atomistic scale analysis of the carbonization process for C/H/O/N-based polymers with the ReaxFF reactive force field
Malgorzata Kowalik, Chowdhury Ashraf, Behzad Damirchi +3
During the carbonization process of raw polymer precursors, graphitic structures can evolve. The presence of these graphitic structures affects mechanical properties of the carboni…