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Molecular dynamics simulation and phase transitions of Tetrafluoromethane
Properties of material under extreme conditions, whether high pressures, high temperatures or low temperatures, are rather interesting. Understanding the properties of any given material at such extreme conditions provides a much clearer conception of the properties of this material in general. Alth...
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2013
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| _version_ | 1867613417387327488 |
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| access_status_str | Open Access |
| author | Abdulshahid, Rasha Ibrahim |
| author_browse | Abdulshahid, Rasha Ibrahim |
| author_facet | Abdulshahid, Rasha Ibrahim |
| author_sort | Abdulshahid, Rasha Ibrahim |
| collection | Thesis |
| dc_rights_str_mv | The author retains all rights with regard to copyright. The author certifies that written permission from the owner(s) of third-party copyrighted matter included in the thesis, dissertation, paper, or record of study has been obtained. The author further certifies that IRB approval has been obtained for this thesis, or that IRB approval is not necessary for this thesis. Insofar as this thesis, dissertation, paper, or record of study is an educational record as defined in the Family Educational Rights and Privacy Act (FERPA) (20 USC 1232g), the author has granted consent to disclosure of it to anyone who requests a copy. |
| description | Properties of material under extreme conditions, whether high pressures, high temperatures or low temperatures, are rather interesting. Understanding the properties of any given material at such extreme conditions provides a much clearer conception of the properties of this material in general. Although until recently studying the nature of matter under such extreme conditions was not possible via the traditional experimental or traditional methods, it was made possible by the utilization of computer simulation methods. Carbon tetrafluoride has been gaining wide interest in recent years due to its important role in the semiconductor processing industries. It is one of the most preferred etchants used today on a number of different silicon films. The importance of CF4 has resulted in a vast interest in studying the molecule under all possible conditions of pressure and temperature. The nature of CF4, it's crystal structure and phase transitions was investigated from 0 K to 450 K and from 0 GPa to 35 GPa, using the Molecular Dynamics simulation technique. Keith Refson's Moldy was the software we decided to use in our research. The results we were able to arrive at were compared with experimental findings and they were quite in agreement. |
| format | Thesis |
| id | oai:fount.aucegypt.edu:etds-2287 |
| institution | American University in Cairo (Egypt) |
| last_indexed | 2026-06-10T12:35:48.888Z |
| license_str | Other — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from AUC Knowledge Fountain — bepress |
| publishDate | 2013 |
| publishDateRange | 2013 |
| publishDateSort | 2013 |
| publisher | AUC Knowledge Fountain |
| publisherStr | AUC Knowledge Fountain |
| record_format | dspace |
| source_str | AUC Knowledge Fountain — bepress |
| spelling | oai:fount.aucegypt.edu:etds-2287 Molecular dynamics simulation and phase transitions of Tetrafluoromethane Abdulshahid, Rasha Ibrahim Properties of material under extreme conditions, whether high pressures, high temperatures or low temperatures, are rather interesting. Understanding the properties of any given material at such extreme conditions provides a much clearer conception of the properties of this material in general. Although until recently studying the nature of matter under such extreme conditions was not possible via the traditional experimental or traditional methods, it was made possible by the utilization of computer simulation methods. Carbon tetrafluoride has been gaining wide interest in recent years due to its important role in the semiconductor processing industries. It is one of the most preferred etchants used today on a number of different silicon films. The importance of CF4 has resulted in a vast interest in studying the molecule under all possible conditions of pressure and temperature. The nature of CF4, it's crystal structure and phase transitions was investigated from 0 K to 450 K and from 0 GPa to 35 GPa, using the Molecular Dynamics simulation technique. Keith Refson's Moldy was the software we decided to use in our research. The results we were able to arrive at were compared with experimental findings and they were quite in agreement. 2013-02-01T08:00:00Z thesis application/pdf https://fount.aucegypt.edu/etds/1288 https://fount.aucegypt.edu/context/etds/article/2287/viewcontent/MD_20Simulations_20and_20_20Phase_20Transitions_20of_20Carbon_20Tetrafluoride.pdf The author retains all rights with regard to copyright. The author certifies that written permission from the owner(s) of third-party copyrighted matter included in the thesis, dissertation, paper, or record of study has been obtained. The author further certifies that IRB approval has been obtained for this thesis, or that IRB approval is not necessary for this thesis. Insofar as this thesis, dissertation, paper, or record of study is an educational record as defined in the Family Educational Rights and Privacy Act (FERPA) (20 USC 1232g), the author has granted consent to disclosure of it to anyone who requests a copy. Theses and Dissertations AUC Knowledge Fountain Molecular dymics Simulation methods |
| spellingShingle | Molecular dymics Simulation methods Abdulshahid, Rasha Ibrahim Molecular dynamics simulation and phase transitions of Tetrafluoromethane |
| title | Molecular dynamics simulation and phase transitions of Tetrafluoromethane |
| title_full | Molecular dynamics simulation and phase transitions of Tetrafluoromethane |
| title_fullStr | Molecular dynamics simulation and phase transitions of Tetrafluoromethane |
| title_full_unstemmed | Molecular dynamics simulation and phase transitions of Tetrafluoromethane |
| title_short | Molecular dynamics simulation and phase transitions of Tetrafluoromethane |
| title_sort | molecular dynamics simulation and phase transitions of tetrafluoromethane |
| topic | Molecular dymics Simulation methods |
| url | https://fount.aucegypt.edu/etds/1288 https://fount.aucegypt.edu/context/etds/article/2287/viewcontent/MD_20Simulations_20and_20_20Phase_20Transitions_20of_20Carbon_20Tetrafluoride.pdf |
| work_keys_str_mv | AT abdulshahidrashaibrahim moleculardynamicssimulationandphasetransitionsoftetrafluoromethane |