Next Article in Journal / Special Issue
Modeling the Friction Boundary Layer of an Entire Brake Pad with an Abstract Cellular Automaton
Previous Article in Journal
Development of a Constitutive Model for Friction in Bulk Metal Forming
Previous Article in Special Issue
Simple Prediction Method for Rubber Adhesive Friction by the Combining Friction Test and FE Analysis
Article Menu
Issue 2 (June) cover image

Export Article

Open AccessArticle
Lubricants 2018, 6(2), 43; https://doi.org/10.3390/lubricants6020043

Molecular Dynamics Modeling of the Sliding Performance of an Amorphous Silica Nano-Layer—The Impact of Chosen Interatomic Potentials

1
ISPMS Institute of Strength Physics and Material Science SB RAS, Akademicheskii pr. 2/4, 634021 Tomsk, Russia
2
TSU Tomsk State University, Department of Physics, Lenin av. 36, 634050 Tomsk, Russia
3
BAM Federal Institute for Materials Research and Testing, Unter den Eichen 87, 12205 Berlin, Germany
*
Author to whom correspondence should be addressed.
Received: 21 March 2018 / Revised: 27 April 2018 / Accepted: 1 May 2018 / Published: 3 May 2018
(This article belongs to the Special Issue Computer Simulation in Tribology and Friction)
Full-Text   |   PDF [5464 KB, uploaded 16 May 2018]   |  

Abstract

The sliding behavior of an amorphous silica sample between two rigid surfaces is in the focus of the present paper. Molecular Dynamics using a classical Tersoff’s potential and a recently developed ReaxFF potential was applied for simulating sliding within a thin film corresponding to a tribofilm formed from silica nanoparticles. The simulations were performed at different temperatures corresponding to moderate and severe tribological stressing conditions. Simulations with both potentials revealed the need of considering different temperatures in order to obtain a sound interpretation of experimental findings. The results show the striking differences between the two potentials not only in terms of magnitude of the resistance stress (about one order of magnitude) but also in terms of friction mechanisms. The expected smooth sliding regime under high temperature conditions was predicted by both simulations, although with Tersoff’s potential smooth sliding was obtained only at the highest temperature. On the other hand, at room temperature Tersoff-style calculations demonstrate stick-slip behavior, which corresponds qualitatively with our experimental findings. Nevertheless, comparison with a macroscopic coefficient of friction is not possible because simulated resistance stresses do not depend on the applied normal pressure. View Full-Text
Keywords: molecular dynamics; thin tribofilm; resistance stress; sliding simulation; amorphous silica; interatomic potential molecular dynamics; thin tribofilm; resistance stress; sliding simulation; amorphous silica; interatomic potential
Figures

Graphical abstract

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Supplementary material

SciFeed

Share & Cite This Article

MDPI and ACS Style

Dmitriev, A.I.; Nikonov, A.Y.; Österle, W. Molecular Dynamics Modeling of the Sliding Performance of an Amorphous Silica Nano-Layer—The Impact of Chosen Interatomic Potentials. Lubricants 2018, 6, 43.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Lubricants EISSN 2075-4442 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top