Interatomic potentials for platinum
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arXiv
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| Autores principales: | , , |
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| Formato: | Preprint |
| Publicado: |
2026
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| Materias: | |
| Acceso en línea: | |
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| _version_ | 1866910184464449536 |
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| author | Koju, R. K. Li, Y. Mishin, Y. |
| author_facet | Koju, R. K. Li, Y. Mishin, Y. |
| contents | We present two new interatomic potentials for platinum (Pt) in angular-dependent potential (ADP) and modified Tersoff (MT) formats. Both potentials have been trained on a reference database of first-principles calculations without using experimental data. The properties of Pt predicted by the ADP and MT potentials agree better with DFT calculations and experimental data than the potentials available in the literature. Future applications of the MT model to mixed-bonding metal-covalent systems are discussed. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_00379 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Interatomic potentials for platinum Koju, R. K. Li, Y. Mishin, Y. Materials Science We present two new interatomic potentials for platinum (Pt) in angular-dependent potential (ADP) and modified Tersoff (MT) formats. Both potentials have been trained on a reference database of first-principles calculations without using experimental data. The properties of Pt predicted by the ADP and MT potentials agree better with DFT calculations and experimental data than the potentials available in the literature. Future applications of the MT model to mixed-bonding metal-covalent systems are discussed. |
| title | Interatomic potentials for platinum |
| topic | Materials Science |
| url | https://arxiv.org/abs/2602.00379 |