Vacancy growth in crystals and development of platform for web-based simulation modules.
The main project is to investigate the free energy in perfect crystal lattice in Face-Centre-Cubic (FCC), Hexagonal-Close-Packing (HCP) and Body-Centre-Cubic (BCC) hard-sphere crystals as well as free energy of monovacancies in the face-centre-cubic (FCC) and hexagonal-close-packed (HCP) hard-sphere...
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| Format: | Final Year Project (FYP) |
| Language: | English |
| Published: |
2010
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| Online Access: | http://hdl.handle.net/10356/39420 |
| _version_ | 1826128051339001856 |
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| author | Wen, Hao Han. |
| author2 | Kwak Sang Kyu |
| author_facet | Kwak Sang Kyu Wen, Hao Han. |
| author_sort | Wen, Hao Han. |
| collection | NTU |
| description | The main project is to investigate the free energy in perfect crystal lattice in Face-Centre-Cubic (FCC), Hexagonal-Close-Packing (HCP) and Body-Centre-Cubic (BCC) hard-sphere crystals as well as free energy of monovacancies in the face-centre-cubic (FCC) and hexagonal-close-packed (HCP) hard-sphere crystals. Solid state materials always contain certain types of void, of which the smallest units might be considered as vacancies. Their sizes and shapes can be easily found in experiment but artificial control on those is far from being known. Here we aim to study the natural development of vacancies in terms of shape and size by the Molecular Dynamics simulation. Simple crystals in Face Centre Cubic (FCC), Hexagonal Close Packing (HCP) and Body Centre Cubic (BCC) are considered as they are the major forms of crystal lattices that are found to exist.
In completion of the above task using the above findings, the next task is to build a website, dedicated to display and run molecular simulation modules that have been developed. The web-based simulation modules are to help students and researchers to do hands-on computational experiments. Thus, they can understand the characteristics of atomistic behavior that is ergodically connected to macroscopic phenomena. Ease of contents and reliability of performing simulations are key factors to consider. |
| first_indexed | 2024-10-01T07:18:33Z |
| format | Final Year Project (FYP) |
| id | ntu-10356/39420 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T07:18:33Z |
| publishDate | 2010 |
| record_format | dspace |
| spelling | ntu-10356/394202023-03-03T15:38:56Z Vacancy growth in crystals and development of platform for web-based simulation modules. Wen, Hao Han. Kwak Sang Kyu School of Chemical and Biomedical Engineering DRNTU::Engineering::Chemical engineering::Chemical processes The main project is to investigate the free energy in perfect crystal lattice in Face-Centre-Cubic (FCC), Hexagonal-Close-Packing (HCP) and Body-Centre-Cubic (BCC) hard-sphere crystals as well as free energy of monovacancies in the face-centre-cubic (FCC) and hexagonal-close-packed (HCP) hard-sphere crystals. Solid state materials always contain certain types of void, of which the smallest units might be considered as vacancies. Their sizes and shapes can be easily found in experiment but artificial control on those is far from being known. Here we aim to study the natural development of vacancies in terms of shape and size by the Molecular Dynamics simulation. Simple crystals in Face Centre Cubic (FCC), Hexagonal Close Packing (HCP) and Body Centre Cubic (BCC) are considered as they are the major forms of crystal lattices that are found to exist. In completion of the above task using the above findings, the next task is to build a website, dedicated to display and run molecular simulation modules that have been developed. The web-based simulation modules are to help students and researchers to do hands-on computational experiments. Thus, they can understand the characteristics of atomistic behavior that is ergodically connected to macroscopic phenomena. Ease of contents and reliability of performing simulations are key factors to consider. Bachelor of Engineering (Chemical and Biomolecular Engineering) 2010-05-24T02:53:03Z 2010-05-24T02:53:03Z 2010 2010 Final Year Project (FYP) http://hdl.handle.net/10356/39420 en Nanyang Technological University 62 p. application/pdf |
| spellingShingle | DRNTU::Engineering::Chemical engineering::Chemical processes Wen, Hao Han. Vacancy growth in crystals and development of platform for web-based simulation modules. |
| title | Vacancy growth in crystals and development of platform for web-based simulation modules. |
| title_full | Vacancy growth in crystals and development of platform for web-based simulation modules. |
| title_fullStr | Vacancy growth in crystals and development of platform for web-based simulation modules. |
| title_full_unstemmed | Vacancy growth in crystals and development of platform for web-based simulation modules. |
| title_short | Vacancy growth in crystals and development of platform for web-based simulation modules. |
| title_sort | vacancy growth in crystals and development of platform for web based simulation modules |
| topic | DRNTU::Engineering::Chemical engineering::Chemical processes |
| url | http://hdl.handle.net/10356/39420 |
| work_keys_str_mv | AT wenhaohan vacancygrowthincrystalsanddevelopmentofplatformforwebbasedsimulationmodules |