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Effect of vacancies on the heat conduction of silicon nanowires. A Molecular Dynamics Simulation Approach

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Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2022, Tutor: Riccardo Rurali, cotutor: Miguel Rubí

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Many experiment and theoretical results suggest a strong reduction of the thermal conductivity in silicon nanowires with respect to the bulk form. Recent experimental evidences also reported that the thermal conductivity decreases when the silicon nanowire structure is altered by the extraction of some atoms, although, few researches have focused on this topic. The aim of this report is to simulate by Molecular Dynamics the reduction of the thermal conductivity in silicon nanowires with different percentages of vacancies. The simulation method used is the Approach to Equilibrium Molecular Dynamics applying a Tersoff  interaction potential. We observe that computational simulations indicates a significant variation of the heat transport due to the defect points

# metadata.dc.title[].value
Effect of vacancies on the heat conduction of silicon nanowires. A Molecular Dynamics Simulation Approach