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...
| المؤلف الرئيسي: | |
|---|---|
| التنسيق: | أطروحة |
| اللغة: | الإنجليزية |
| منشور في: |
2018
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| الموضوعات: | |
| الوصول للمادة أونلاين: | http://eprints.usm.my/44228/ |
| Abstract | Abstract here |
| _version_ | 1854968091845328896 |
|---|---|
| author | Ong, Yee Pin |
| author_facet | Ong, Yee Pin |
| author_sort | Ong, Yee Pin |
| 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. |
| first_indexed | 2025-10-17T08:24:16Z |
| format | Thesis |
| id | usm-44228 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2025-10-17T08:24:16Z |
| publishDate | 2018 |
| record_format | eprints |
| record_pdf | Abstract |
| spelling | usm-442282019-04-29T01:18:59Z 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. |
| spellingShingle | QC1 Physics (General) Ong, Yee Pin Thermal Properties And Ground-State Structures Of Pure And Alloy Nanoclusters Via Molecular Dynamics Simulation |
| title | 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_short | 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 |
| topic | QC1 Physics (General) |
| url | http://eprints.usm.my/44228/ |
| work_keys_str_mv | AT ongyeepin thermalpropertiesandgroundstatestructuresofpureandalloynanoclustersviamoleculardynamicssimulation |