Simulation of Abrasive Processes for Crystalline Materials by Means of Molecular Dynamics and Multiscale Methods

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".

Deadline for manuscript submissions: 20 November 2024 | Viewed by 157

Special Issue Editors

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Guest Editor
School of Mechanical Engineering, National Technical University of Athens, 15780 Zografou, Greece
Interests: molecular dynamics; finite element method; machining processes; non-conventional machining processes; material testing; hard-to-cut materials; multiscale modeling of machining; abrasive processes
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Special Issue Information

Dear Colleagues,

Abrasive processes are essential in manufacturing in order to render high-quality surfaces of mechanical parts. As the trend of miniaturization is ongoing in various scientific fields, it is essential to perform finishing after micromachining by means of precise abrasive processes, either with fixed or loose abrasives. However, given that experiments at the micro and nanoscale are very expensive, simulation methods can be employed in order to evaluate the capabilities of abrasive processes in these scales, understand the underlying phenomena, and optimize them with respect to various materials. In particular, at the nanoscale, the molecular dynamics method is the most frequently used method to achieve reliable simulation of material removal, and thus, it is preferred for nano-abrasive processes simulations. Moreover, multiscale frameworks, combining models from different lengths or time scales can be developed in order to further enhance the accuracy of nano-abrasive process simulations.

This Special Issue plans to present an overview of the most recent advances in the field of simulations of abrasive processes at the nanoscale by means of molecular dynamics and multiscale methods. This Special Issue is aimed at providing selected contributions of both original papers and review papers on various topics, including:

  • Simulation of abrasive processes (peripheral grinding, lapping, polishing, chemical-mechanical polishing) using molecular dynamics;
  • Meshless methods for the simulation of abrasive processes;
  • Development of multiscale frameworks for abrasive process simulations;
  • Prediction of microstructure during abrasive processes;
  • Simulation of hybrid abrasive processes;
  • Simulation of abrasive processes for nanostructured materials;
  • Simulation of abrasive processes for high-entropy alloys;
  • Simulation of abrasive processes for polycrystalline materials.

Dr. Nikolaos Karkalos
Prof. Dr. Umberto Prisco
Guest Editors

Manuscript Submission Information

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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • abrasive processes 
  • simulation
  • molecular dynamics
  • meshless methods
  • multiscale methods

Published Papers

This special issue is now open for submission.
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