7 citations · 7 across the 2 of their papers we have counts for
3 papers
Implementing Reactivity in Molecular Dynamics Simulations with Harmonic Force Fields
Jordan J. Winetrout, Krishan Kanhaiya, Joshua Kemppainen +7
The simulation of chemical reactions and mechanical properties including failure from atoms to the micrometer scale remains a longstanding challenge in chemistry and materials scie…
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…
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…