Investigation of the structural properties of low dimensional nanostructures: Molecular dynamics simulations

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Tezin Türü: Yüksek Lisans

Tezin Yürütüldüğü Kurum: Orta Doğu Teknik Üniversitesi, Fen Edebiyat Fakültesi, Fizik Bölümü, Türkiye

Tezin Onay Tarihi: 2013

Öğrenci: BURAK ÖZDAMAR

Danışman: ŞAKİR ERKOÇ

Özet:

This study aims to investigate the structural and thermodynamic properties of nanostructures which are generated from different atoms and geometries. The nanostructures in question are boron nitride nanoparticles, silicon nanowires along with sawtooth-like graphene nanoribbons. The goal is to calculate the specific heat values of boron nitride nanoparticles while the mechanical properties of the other nanostructures are investigated under uniaxial strain. The structural behaviors of these generated nanoparticles at different temperatures are investigated by classical molecular dynamics simulation technique with atomistic potential energy functions that are suitable for each system.