Model for the coagulation of carbon clusters at high densities and temperatures

A two-dimensional formulation of the molecular dynamics method is used to model the coagulation of carbon particles at the high temperatures and densities corresponding to conditions behind a detonation front. When small particles interact, they coalesce in the manner of liquid drops. Particles greater than 3 nm in size adhere in faces while retaining their form. Surface atoms, however, are capable of migrating among coupled particles, thereby facilitating their bonding. Calculations reveal the existence of strong compression and rarefaction waves with amplitudes of up to 30 GPa in the interacting particles.