Kinetics and Nucleation Dynamics in Ion-Seeded Atomic Clusters

TL;DR

This paper investigates the kinetics and nucleation dynamics of ion-seeded atomic clusters, specifically Ar$_n$H$^+$, using molecular dynamics simulations to understand their growth, energy evolution, and size distribution under various conditions.

Contribution

It introduces a detailed molecular dynamics approach with quantum potentials to model nano-cluster formation and growth, providing new insights into the kinetics of ion-seeded cluster nucleation.

Findings

Cluster growth is regulated by Ar$_{n extless=40}$ shell formation.

Time-evolution of cluster energy and size distribution analyzed at different stages.

Self-consistent model parameters for cluster size fluctuations established.

Abstract

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.