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Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation

The study of thermal properties of nanoclusters via molecular dynamics simulation is a common research topic in computational physics. However, the methods of post-processing and determining the pre-melting and melting range of nanoclusters at specific composition differ in every research. In this t...

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Main Author: Ong, Yee Pin
Format: Thesis
Language:English
Published: 2018
Subjects:
QC1 Physics (General)
Online Access:http://eprints.usm.my/44228/1/ONG%20YEE%20PIN.pdf
http://eprints.usm.my/44228/
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spelling my.usm.eprints.44228 http://eprints.usm.my/44228/ Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation Ong, Yee Pin QC1 Physics (General) The study of thermal properties of nanoclusters via molecular dynamics simulation is a common research topic in computational physics. However, the methods of post-processing and determining the pre-melting and melting range of nanoclusters at specific composition differ in every research. In this thesis, the study of thermal properties was started by obtaining the ground-state structure of 38-atoms gold-platinum nanoclusters of various composition (where ) using Parallel Tempering Multicanonical Basin Hopping plus Genetic Algorithm (PTMBHGA). Bimetallic nanocluster with D6h symmetry has been selected for further investigation in the thermal properties, as it is the most stable bimetallic nanocluster studied in this thesis. 2018-03 Thesis NonPeerReviewed application/pdf en http://eprints.usm.my/44228/1/ONG%20YEE%20PIN.pdf Ong, Yee Pin (2018) Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation. Masters thesis, Universiti Sains Malaysia.
institution Universiti Sains Malaysia
building Hamzah Sendut Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Sains Malaysia
content_source USM Institutional Repository
url_provider http://eprints.usm.my/
language English
topic QC1 Physics (General)
spellingShingle QC1 Physics (General)
Ong, Yee Pin
Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation
description The study of thermal properties of nanoclusters via molecular dynamics simulation is a common research topic in computational physics. However, the methods of post-processing and determining the pre-melting and melting range of nanoclusters at specific composition differ in every research. In this thesis, the study of thermal properties was started by obtaining the ground-state structure of 38-atoms gold-platinum nanoclusters of various composition (where ) using Parallel Tempering Multicanonical Basin Hopping plus Genetic Algorithm (PTMBHGA). Bimetallic nanocluster with D6h symmetry has been selected for further investigation in the thermal properties, as it is the most stable bimetallic nanocluster studied in this thesis.
format Thesis
author Ong, Yee Pin
author_facet Ong, Yee Pin
author_sort Ong, Yee Pin
title Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation
title_short Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation
title_full Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation
title_fullStr Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation
title_full_unstemmed Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation
title_sort thermal properties and ground-state structures of pure and alloy nanoclusters via molecular dynamics simulation
publishDate 2018
url http://eprints.usm.my/44228/1/ONG%20YEE%20PIN.pdf
http://eprints.usm.my/44228/
_version_ 1643710949226446848
score 13.18916

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