The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function
The bulk modulus is one of the most important characteristic features of solids. Accordingly, we have developed a statistical-mechanical treatment based on an equation which enables us to calculate the bulk modulus for solids with the minimum manifold of input data. In our model, a conjunction betwe...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Vasyl Stefanyk Precarpathian National University
2020-03-01
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| Series: | Фізика і хімія твердого тіла |
| Subjects: | |
| Online Access: | https://journals.pnu.edu.ua/index.php/pcss/article/view/2990 |
| _version_ | 1818145132171493376 |
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| author | H. Mangelli M. Vafaeei N. Mansoori Oghaz B. Haghighi |
| author_facet | H. Mangelli M. Vafaeei N. Mansoori Oghaz B. Haghighi |
| author_sort | H. Mangelli |
| collection | DOAJ |
| description | The bulk modulus is one of the most important characteristic features of solids. Accordingly, we have developed a statistical-mechanical treatment based on an equation which enables us to calculate the bulk modulus for solids with the minimum manifold of input data. In our model, a conjunction between Gruneisen parameter and canonical partition function has been established. We have found out that the volume dependency of Gruneisen parameter is critical in estimating bulk modulus. The result for hexagonal closed- packed (hcp) iron is very good and commensurate with the best measurements. This framework can be extended to the other elemental solids or a variety of compounds. |
| first_indexed | 2024-12-11T11:58:36Z |
| format | Article |
| id | doaj.art-a67c8d023f9e481eb35e5265d12569a3 |
| institution | Directory Open Access Journal |
| issn | 1729-4428 2309-8589 |
| language | English |
| last_indexed | 2024-12-11T11:58:36Z |
| publishDate | 2020-03-01 |
| publisher | Vasyl Stefanyk Precarpathian National University |
| record_format | Article |
| series | Фізика і хімія твердого тіла |
| spelling | doaj.art-a67c8d023f9e481eb35e5265d12569a32022-12-22T01:08:07ZengVasyl Stefanyk Precarpathian National UniversityФізика і хімія твердого тіла1729-44282309-85892020-03-01211616710.15330/pcss.21.1.61-672990The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition FunctionH. Mangelli0M. Vafaeei1N. Mansoori Oghaz2B. Haghighi3University of NeyshaburUniversity of NeyshaburFarhangian UniversityUniversity of NeyshaburThe bulk modulus is one of the most important characteristic features of solids. Accordingly, we have developed a statistical-mechanical treatment based on an equation which enables us to calculate the bulk modulus for solids with the minimum manifold of input data. In our model, a conjunction between Gruneisen parameter and canonical partition function has been established. We have found out that the volume dependency of Gruneisen parameter is critical in estimating bulk modulus. The result for hexagonal closed- packed (hcp) iron is very good and commensurate with the best measurements. This framework can be extended to the other elemental solids or a variety of compounds.https://journals.pnu.edu.ua/index.php/pcss/article/view/2990bulk moduluscanonical partition functiondensitygruneisen parameterstatistical mechanics |
| spellingShingle | H. Mangelli M. Vafaeei N. Mansoori Oghaz B. Haghighi The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function Фізика і хімія твердого тіла bulk modulus canonical partition function density gruneisen parameter statistical mechanics |
| title | The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function |
| title_full | The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function |
| title_fullStr | The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function |
| title_full_unstemmed | The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function |
| title_short | The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function |
| title_sort | first principle approach in estimating bulk modulus based on explicit expression of canonical partition function |
| topic | bulk modulus canonical partition function density gruneisen parameter statistical mechanics |
| url | https://journals.pnu.edu.ua/index.php/pcss/article/view/2990 |
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