Kinetics and Nucleation Dynamics in Ion-Seeded Atomic Clusters

• Published in: arXiv.org 2022-01
• Main Authors: Rozman, M G, Bredice, M, Smucker, J, Sadeghpour, H R, Vrinceanu, D, Cote, R, Kharchenko, V
• Format: Article
• Language: English
• Subjects: Argon ions; Atomic clusters; Equilibrium; Evolution; Haze; Kinetics; Molecular dynamics; Nucleation; Particle size distribution; Time dependence
• ISSN: 2331-8422
• DOI: 10.48550/arxiv.2109.09141

The time-dependent kinetics of formation and evolution of nano-size atomic clusters is investigated and illustrated with the nucleation dynamics of ion-seed Ar\(_n\)H\(^+\) particles. The rates of growth and degradation of Ar-atomic shells around the seed ion are inferred from Molecular Dynamics (MD) simulations. Simulations of cluster formation have been performed with accurate quantum-mechanical binary interaction potentials. Both the nonequilibrium and equilibrium growth of Ar\(_n\)H\(^+\) are investigated at different temperature and densities of the atomic gas and seed ions. Formation of Ar\(_{n\leq 40}\) shells is the main mechanism which regulates the kinetics of nano-cluster growth and the diffusive fluctuations of the cluster size distribution. The time-evolution of the cluster intrinsic energy and cluster size distributions are analyzed at the non-thermal, quasi-equilibrium, and thermal equilibrium stages of Ar\(_n\)H\(^+\) formation. We've determined the self-consistent model parameters for the temporal fluctuations of the cluster size and found coefficients of the diffusive growth mechanism describing the equilibrium distribution of nano-clusters. Nucleation of haze and nano-dust particles in astrophysical and atmospheric ionized gases are discussed.