Effect of Electric Field Magnitude on the Mechanical Behavior of Silicon-Doped Nanoporous Carbon Matrix by Molecular Dynamics Method

Document Type : Original Article

Authors

1 Department of Mechanical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran

2 Department of Energy Engineering and Physics, Faculty of Condensed Matter Physics, Amirkabir University of Technology, Tehran, Iran

Abstract

Solid materials that contain holes in their structure are generally defined as porous materials. Porosity is obtained by dividing the volume of pores by the total volume of the material. Porous materials are a new category of materials that have attracted the attention of scientists and different industries due to their special mechanical properties, such as definable strength and density. These materials have been attracted due to various applications in molecular separation, heterogeneous catalysis, absorption technology or light and electronics technology. This research aims to investigate the effects of an electric field on the mechanical properties of a silicon-doped carbon matrix with 10% porosity. The mechanical properties investigated in this research include Young's modulus and ultimate strength, obtained using the molecular dynamics (MD) simulation method and LAMMPS comprehensive software. The results revealed that the ultimate strength and Young’s modulus of silicon-doped nanoporous carbon matrix converged to 69.4014 GPa and 200.192GPa, respectively. In the following, the mechanical strength in simulated samples decreases with increasing the electric field magnitude. Numerically, by increasing the electric field from 0.2 to 0.5 V/Å, the ultimate strength and Young’s modulus of silicon-doped nanoporous carbon matrix decrease from 65.83 and 191.022 GPa to 57.81 and 167.18 GPa

Keywords

Main Subjects

© 2022 The Author(s). Journal of Progress in Physics of Applied Materials published by Semnan University Press. This is an open access article under the CC-BY 4.0 license. (https://creativecommons.org/licenses/by/4.0/)

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Progress in Physics of Applied Materials
Volume 2, Issue 2 - Serial Number 3
December 2022
Pages 157-164

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History

  • Receive Date: 22 November 2022
  • Revise Date: 18 December 2022
  • Accept Date: 24 December 2022

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