High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials
Abstract In this work, we have determined the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, local force constant, and other thermodynamic parameters of diamond-type structured crystals under high-pressure up to 14 GPa. The parameters are ca...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2021-10-01
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| Series: | Journal of Engineering and Applied Science |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s44147-021-00015-x |
| _version_ | 1818837868141871104 |
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| author | Duc Ba Nguyen Hiep Phi Trinh |
| author_facet | Duc Ba Nguyen Hiep Phi Trinh |
| author_sort | Duc Ba Nguyen |
| collection | DOAJ |
| description | Abstract In this work, we have determined the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, local force constant, and other thermodynamic parameters of diamond-type structured crystals under high-pressure up to 14 GPa. The parameters are calculated through theoretical interatomic Morse potential parameters, by using the sublimation energy, the compressibility, and the lattice constant in the expanded X-ray absorption fine structure spectrum. Numerical results agree well with the experimental values and other theories. |
| first_indexed | 2024-12-19T03:29:20Z |
| format | Article |
| id | doaj.art-7a33a134f38a4b6bbac338c0777174fc |
| institution | Directory Open Access Journal |
| issn | 1110-1903 2536-9512 |
| language | English |
| last_indexed | 2024-12-19T03:29:20Z |
| publishDate | 2021-10-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Journal of Engineering and Applied Science |
| spelling | doaj.art-7a33a134f38a4b6bbac338c0777174fc2022-12-21T20:37:33ZengSpringerOpenJournal of Engineering and Applied Science1110-19032536-95122021-10-0168111210.1186/s44147-021-00015-xHigh-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentialsDuc Ba Nguyen0Hiep Phi Trinh1Tan Trao UniversityTan Trao UniversityAbstract In this work, we have determined the mean square relative displacement, elastic constant, anharmonic effective potential, correlated function, local force constant, and other thermodynamic parameters of diamond-type structured crystals under high-pressure up to 14 GPa. The parameters are calculated through theoretical interatomic Morse potential parameters, by using the sublimation energy, the compressibility, and the lattice constant in the expanded X-ray absorption fine structure spectrum. Numerical results agree well with the experimental values and other theories.https://doi.org/10.1186/s44147-021-00015-xMorse potential parameterState equationCorrelation functionElastic constantMean square relative displacement |
| spellingShingle | Duc Ba Nguyen Hiep Phi Trinh High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials Journal of Engineering and Applied Science Morse potential parameter State equation Correlation function Elastic constant Mean square relative displacement |
| title | High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials |
| title_full | High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials |
| title_fullStr | High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials |
| title_full_unstemmed | High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials |
| title_short | High-pressure study of thermodynamic parameters of diamond-type structured crystals using interatomic Morse potentials |
| title_sort | high pressure study of thermodynamic parameters of diamond type structured crystals using interatomic morse potentials |
| topic | Morse potential parameter State equation Correlation function Elastic constant Mean square relative displacement |
| url | https://doi.org/10.1186/s44147-021-00015-x |
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