Dust Collisions in Protoplanetary Disks: Atomic Simulations of the Surface Free Energy

Abstract Coagulation of dust particles in protoplanetary disks is the first step on the journey to the formation of planets. The surface free energy (SFE) of the dust particles determines the effectiveness of particles sticking to each other after collision, as well as the critical collision velocity above which fragmentation will occur. Studies of SFE have focused on the simplest silicate, silica, usually at standard temperature and pressure. However, protoplanetary dust grains have a wide variety of mineralogical compositions and temperatures, and a low-pressure environment lacking in water vapor. We perform molecular dynamics simulations using a ReaxFF-type potential of the SFE of silica, albite, and anorthite at temperatures ranging from 30 to 700 K in a true vacuum. We find that the SFE drops by tens of percent with increasing temperature or shifting to more complex silicate compositions. More dramatically, we find that the values of the SFE in a vacuum are 2 orders of magnitude higher than those usually measured in terrestrial laboratories. Our results confirm previous work that suggests that hydroxylation by monolayers of water produces this reduction in SFE in experiments. The coagulation of dust grains thus appears to depend critically on the cleanliness of their surfaces, as well as their temperature and composition.