Reconsideration of metal surface sputtering due to bombardment of high-energy argon ion particles: a molecular dynamics study

Abstract

Some interesting aspects of metal surface sputtering phenomenon are numerically investigated in this work using the molecular dynamics approach. Along with that, we have carried out a critical analysis of the interaction potentials typically used for modeling. Two metallic surfaces, viz., copper, Cu(100), and nickel, Ni(100), are chosen for study that are bombarded by argon ions at various energies and angles of projection. The sputtering yield is calculated by performing molecular dynamics simulations, and the same is compared with experiments and theoretical predictions wherever possible. Furthermore, other interesting parameters like the kinetic energy, velocity, and scattering angle distribution for sputtered and incident atoms are presented and discussed. Through different case studies, the present work emphasizes on the importance of interaction model used for metal surface modeling for a realistic numerical reproduction of the complex metal surface sputtering process.

Gently Does It!: In Situ Preparation of Alkali Metal - Solid Electrolyte Interfaces for Photoelectron Spectroscopy

“…33 and the present study are consistent with sputtering Li onto a surface, being more energetic and consequently more damaging, than Li deposition by evaporation. Studies have found that the energy of sputtered atoms following impact by an incident Ar + beam can be up to 50 eV, with the most likely energy being ~5 eV 54,55 , whilst for thermal evaporation of Li at the pressures used herein, this is <0.1 eV, according to the ideal gas law, which is consistent with experimental observations 56,57 . Electrical impedance spectroscopy studies have shown that typical activation energies for lithium plating on different electrode materials (including graphite, lithium nickel cobalt alumina and lithium iron phosphate) can vary from ~0.50 eV to 0.75 eV, which is an order of magnitude lower than the energy imparted by atoms during lithium sputtering [58][59][60] .…”

Role of ionization fraction on the surface roughness, density, and interface mixing of the films deposited by thermal evaporation, dc magnetron sputtering, and HiPIMS: An atomistic simulation

“…51 (chap. 2) The cut off was considered to be 2.552 Å which is large enough to model sputtering 52 and a switching function was also considered to smoothly ramp energy and force to zero at cutoff.…”

On the role of ion potential energy in low energy HiPIMS deposition: An atomistic simulation

“…However, energetic deposition might push the system far away from its equilibrium. To describe the shortranged forces acting when an energetic atom travels inside the lattice we utilized the ZBL potential that has already been implemented in many force fields such as EAM [16,31], Tersoff [48] and deep-learning [49] potentials. The ZBL potential is a modification of screened Coulomb potential…”

“…It is worth mentioning that MD simulations of sputter deposition are divided into two categories: (i) modeling the vicinity of the substrate, the so called deposition side, and (ii) modeling the energetic working gas ions bombarding a surface or the target side. So far the target side simulations are focused on the sputter yield and energy distribution of ejected atoms from the target [15,16]. Recently, Brault [17] included the working gas between target and deposition sides within a multi-scale MD simulation.…”