Molecular dynamics simulations of Ar gas ejection from a ruptured subsurface bubble in Cu(100) induced by impact of 200 eV Ar atoms

Abstract

We present a molecular dynamics simulation of the rupture of a subsurface Ar bubble in Cu(100) and the ejection of Ar atoms and Ar₂ dimers. A cavity in the subsurface region was pressurised by inserting Ar atoms until a stability condition was met and the bubble rupture was initiated by the impact of a 200 eV Ar atom. We calculate local temperature and pressure profiles inside the Ar bubble, the angular and energy distributions of emitted Ar atoms and Ar₂ dimers and compare with experiments.

Keywords:

• argon bubbles
• argon clusters
• sputtering
• copper
• molecular dynamics simulation

Additional information

Funding

This work was partially supported by the internal grant of the J.E. Purkinje University in Ústí nad Labem, Czech Republic [grant number 53222 15 0005 01].