Title: Study of the normal force and velocity influence on the fused silica scratching mechanisms with α-alumina grit at atomic scale via Reaxff reactive molecular dynamic simulations

Authors: Juan Ignacio Ahuir-Torres; Xun Chen; Luke Mason; Philippe Gambron; David D. Walker; Guoyu Yu; Hongyu Li; Rakesh Mishra; Yasemin Akar; Frankie F. Jackson; Paul A. Bingham

Addresses: General Engineering Research Institute, Faculty of Engineering and Technology, Liverpool John Moores University, GERI Building, 3 Byrom Street, Liverpool, Merseyside, L3 3AF, UK ' General Engineering Research Institute, Faculty of Engineering and Technology, Liverpool John Moores University, GERI Building, 3 Byrom Street, Liverpool, Merseyside, L3 3AF, UK ' Scientific Computing Department, Science and Technology Facilities Council, North Star Avenue, Swindon, Wiltshire, SN2 1SZ, UK ' Scientific Computing Department, Science and Technology Facilities Council, North Star Avenue, Swindon, Wiltshire, SN2 1SZ, UK ' SciTech Daresbury National Science and Innovation Campus, University of Huddersfield Laboratory for Ultra Precision Surface, G6 TechSpace One Keckwick Lane, Daresbury, Merseyside, WA4 4AB, UK ' SciTech Daresbury National Science and Innovation Campus, University of Huddersfield Laboratory for Ultra Precision Surface, G6 TechSpace One Keckwick Lane, Daresbury, Merseyside, WA4 4AB, UK ' SciTech Daresbury National Science and Innovation Campus, University of Huddersfield Laboratory for Ultra Precision Surface, G6 TechSpace One Keckwick Lane, Daresbury, Merseyside, WA4 4AB, UK ' Department of Engineering and Technology, School of Computing and Engineering, University of Huddersfield, Huddersfield, West Yorkshire, HD1 3DH, UK ' Department of Engineering and Technology, School of Computing and Engineering, University of Huddersfield, Huddersfield, West Yorkshire, HD1 3DH, UK ' Department of Engineering and Technology, School of Computing and Engineering, University of Huddersfield, Huddersfield, West Yorkshire, HD1 3DH, UK ' College of Business, Technology and Engineering, Sheffield Hallam University, City Campus, Howard Street, Sheffield, South Yorkshire, S1 1WB, UK

Abstract: Fused silica is an optical glass employed in several industries, which is grinded and polished to obtain ultra-smooth surface by using α-alumina abrasives. Scratch testing is a powerful technique to assess the process conditions that provoke the process induced damages. Applied normal load and velocity on abrasive grain are main influential parameters under consideration. Previously studies on scratching of this glass are mainly focused on mechanical mechanisms, its chemical mechanisms have not been well analysed. In this paper, the Reaxff molecular dynamic simulation is used to study both mechanical and chemical mechanisms in scratching processes under various velocities and forces. The results reveal three distinct phenomena (penetration, penetration with dragging and dragging) in scratching processes. Under the conditions of lower force and velocity, the scratching depth presented small, and the temperature and potential energy were stable during scratching. The chemical interaction between the grain and glass appears as adhesion.

Keywords: molecular dynamics simulation; optical glass; reactive force-field; Reaxff; abrasive scratching; α-alumina.

DOI: 10.1504/IJAT.2024.136730

International Journal of Abrasive Technology, 2024 Vol.12 No.1, pp.37 - 62

Received: 22 Jun 2022
Accepted: 05 May 2023
Published online: 19 Feb 2024 *

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