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Study of microwave heating in semiconductors using molecular dynamics simulation

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posted on 2022-11-11, 04:10 authored by Tahsin Ashraf Khan

Microwave (MW) absorption properties of materials is of high importance as high-frequency, high-power electronics for 5G and other high-speed communications become mainstream. The nature of MW and matter interaction is not entirely understood and explored in atomistic details. Molecular Dynamic Simulation (MDS) can be a powerful tool to be used in this regard. This study explores the dynamics of microwave interaction with materials used in advanced electronics such as silicon carbide, using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) software. MW absorption properties for water was first characterized through the MDS study, which was found to be conforming with previous results. MDS of MW radiation on silicon carbide (SiC) characterized its various absorption properties. The study revealed the temperature evolution during the MW absorption of SiC under various amplitudes and frequencies of the applied MW electric field. We also find that MW heating rates depend on the direction of the MW radiation and the crystallographic orientation of substrate surfaces. The SiC crystal slab bounded by surfaces along (001) crystallographic direction shows a significantly faster heating rate when the MW field is applied parallel to the surface than when applied perpendicular. The (111) crystal surface exhibits the highest stability under MW radiation from any direction. 


Table of Contents

Chapter 1: introduction -- Chapter 2: microwave heating mechanism -- Chapter 3: introduction to LAMMPS -- Chapter 4: background and related work -- Chapter 5: MDS on MW absorption of SiC -- Chapter 6: study of surface effects during MW heating for SiC -- Chapter 7: conclusion and future works -- References -- Appendix A1: LAMMPS code for bulk SiC -- Appendix A2: LAMMPS code for SiC slab -- Appendix B: LAMMPS code for MW heating of water


A thesis submitted to Macquarie University for the degree of Master of Research

Awarding Institution

Macquarie University

Degree Type

Thesis MRes


Thesis (MRes), Macquarie University, Faculty of Science and Engineering, 2022

Department, Centre or School

School of Engineering

Year of Award


Principal Supervisor

Binesh Puthen Veettil


Copyright: The Author Copyright disclaimer:




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