Publication

Adhesive wear with a coarse-grained discrete element model

Abstract

The use of molecular dynamics (MD) simulations has led to promising results to unravel the atomistic origins of adhesive wear, and in particular for the onset of wear at nanoscale surface asperities. However, MD simulations come with a high computational cost and offer access to only a narrow window of time and length scales. We propose here to resort to the discrete element method (DEM) to mitigate the computational cost. Using DEM particles with contact and cohesive forces, we reproduce the key mechanisms observed with MD, while having particle diameters and system sizes an order of magnitude higher than with MD. The pairwise forces are tuned to obtain a solid with reasonably approximated elastic and fracture properties. The simulations of single asperity wear performed with MD are successfully reproduced with DEM using a range of particle sizes, validating the coarse-graining procedure. More complex simulations should allow the study of wear particles and the evolution of worn surfaces in an adhesive wear context, while reaching scales inaccessible to MD. (c) 2022 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

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Related concepts (32)
Wear
Wear is the damaging, gradual removal or deformation of material at solid surfaces. Causes of wear can be mechanical (e.g., erosion) or chemical (e.g., corrosion). The study of wear and related processes is referred to as tribology. Wear in machine elements, together with other processes such as fatigue and creep, causes functional surfaces to degrade, eventually leading to material failure or loss of functionality. Thus, wear has large economic relevance as first outlined in the Jost Report.
Molecular dynamics
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Tribology
Whenever two objects rub together, for instance wheels on a road, gears in a motor, there is both friction and wear. Different surfaces have different amounts of friction, for instance a smooth surface compared to a rough one. How much material comes off also depends upon the surfaces, and also how much pressure is used -- for instance using sandpaper to smooth out wood. One can also add liquids such as oils or water to reduce the friction, which is called lubrication.
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