Molecular dynamics with reactive interatomic potentials is the only computationally feasible
approach for modeling at the atomistic level the formation of carbon nanoparticles from gas …

Formation of carbon nanoparticles is an important type of complex non-equilibrium
processes that require precise atomistic theoretical understanding. In this work, we consider …

Electric arc discharge is a straightforward and attractive method for the synthesis of
nanomaterials with unique properties. When electric arc sputtering of a composite tin …

Understanding mechanism of the soot formation process is important for reduction of harmful
emissions from combustion and also for synthesis of carbon nanostructures. However, at the …

In this review article, the potential functions of the reactive force field ReaxFF used in
reactive molecular dynamics (RMD) simulations are introduced and described. This force …