Rearrangement collisions between gold clusters

TL;DR

This study investigates collision processes between gold clusters using classical molecular dynamics and embedded atom potentials, validated by first principles calculations, covering various cluster sizes and projectile energies.

Contribution

It introduces a combined approach of classical and first principles methods to analyze gold cluster collisions across multiple sizes and energies.

Findings

Collision outcomes depend on cluster size and projectile energy.

Embedded atom potentials are validated against first principles calculations.

Detailed analysis of collision processes is provided.

Abstract

Collision processes between two gold clusters are investigated using classical molecular dynamics in combination with embedded atom (EA) potentials, after checking the reliability of EA results by contrasting them with first principles calculations. The Au projectiles considered are both single atoms (N=1) and clusters of N=2, 12, 13 and 14 atoms. The targets contain N= 12, 13 and 14 gold atoms. The initial projectile energy E is in the range 0 < E < 1.5 eV/atom. The results of the collision processes are described and analyzed in detail.