Statistical analysis of dimer formation in supersaturated metal vapor based on molecular dynamics simulation

AE Korenchenko and AG Vorontsov and BR Gelchinski and GP Sannikov, PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 496, 147-155 (2018).

DOI: 10.1016/j.physa.2017.12.083

We discuss the problem of dimer formation during the homogeneous nucleation of atomic metal vapor in an inert gas environment. We simulated nucleation with molecular dynamics and carried out the statistical analysis of double- and triple-atomic collisions as the two ways of long-lived diatomic complex formation. Close pair of atoms with lifetime greater than the mean time interval between atom-atom collisions is called a long-lived diatomic complex. We found that double- and triple-atomic collisions gave approximately the same probabilities of long-lived diatomic complex formation, but internal energy of the resulted state was essentially lower in the second case. Some diatomic complexes formed in three-particle collisions are stable enough to be a critical nucleus. (C) 2017 Elsevier B.V. All rights reserved.

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