Computer simulation of ice film sputtering from Au(111) surface

Abstract

Mass spectrometry of secondary ions represents a combination of analytical methods, which allows you to study the molecular characteristics of the solid state. On the basis of this method, the use of charged charging frequencies is directed at the power, usually in the range of tens of thousands of electron volts. Based on the molecular dynamics method, we simulated sputtering process in the form of water molecules and clusters of water films covering Au(111) on the surface at normal incidence. It is shown that the obtained mass spectra of sputtered particles contain peaks related to several water molecules. The analysis of the obtained results showed that peaks were formed on the mass spectrum of sputtered particles, which belong to water molecules, water clusters, and Au atoms. The results played a huge role in studying the surface of thin films and molecular spectroscopy. The obtained calculation results showed that the number of incident particles directly affects the sputtering process, that is, the greater the number of incident particles, the more intense the process of sputtering of the atoms of the upper layers of the substrate. This is due to the fact that the incident ions, destroying the structure of the crystal, namely, violating the periodicity of the upper atomic layers, remain in the substrate of the crystal.