Shape dynamics during deposit of simple metal clusters on rare gas matrices

TL;DR

This study uses a combined quantum mechanical and classical approach to investigate how small sodium clusters deposit on large argon matrices, revealing energy transfer mechanisms and shape relaxation dynamics.

Contribution

It introduces a systematic analysis of collision energy, system size, and orientation effects on metal cluster deposition on rare gas matrices using a hybrid simulation method.

Findings

Argon acts as an efficient shock absorber during collisions.

Na clusters are consistently captured and remain robust after impact.

Energy transfer occurs rapidly, with shape relaxation taking several picoseconds.

Abstract

Using a combined quantum mechanical/classical method, we study the collisions of small Na clusters on large Ar clusters as a model for cluster deposit. We work out basic mechanisms by systematic variation of collision energy, system sizes, and orientations. The soft Ar material is found to serve as an extremely efficient shock absorber. The collisional energy is quickly transfered at first impact and the Na clusters are always captured by the Ar surface. The distribution of the collision energy into the Ar system proceeds very fast with velocity of sound. The relaxation of shapes goes at a slower pace using times of several ps. It produces a substantial rearrangement of the Ar system while the Na cluster remains rather robust.