Interatomic potentials for oxide glasses: Past, present, and future
The continuous development and improvement of interatomic potential models for oxide glasses have made classical molecular dynamics a powerful computational technique routinely used for studying the structure and properties of such materials on a par with the more advanced experimental techniques.In...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2022-09-01
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| Series: | Journal of Non-Crystalline Solids: X |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590159122000358 |
| _version_ | 1798000274437046272 |
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| author | Alfonso Pedone Marco Bertani Luca Brugnoli Annalisa Pallini |
| author_facet | Alfonso Pedone Marco Bertani Luca Brugnoli Annalisa Pallini |
| author_sort | Alfonso Pedone |
| collection | DOAJ |
| description | The continuous development and improvement of interatomic potential models for oxide glasses have made classical molecular dynamics a powerful computational technique routinely used for studying the structure and properties of such materials on a par with the more advanced experimental techniques.In this brief review, we retrace the development of the most used interatomic potential models from the earliest MD simulations up to now with a look at the possible future developments in this field due to the advent of the machine learning era and data-driven methods. |
| first_indexed | 2024-04-11T11:17:06Z |
| format | Article |
| id | doaj.art-b5095d3df8364fe7a28bb03298d3f687 |
| institution | Directory Open Access Journal |
| issn | 2590-1591 |
| language | English |
| last_indexed | 2024-04-11T11:17:06Z |
| publishDate | 2022-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Non-Crystalline Solids: X |
| spelling | doaj.art-b5095d3df8364fe7a28bb03298d3f6872022-12-22T04:27:11ZengElsevierJournal of Non-Crystalline Solids: X2590-15912022-09-0115100115Interatomic potentials for oxide glasses: Past, present, and futureAlfonso Pedone0Marco Bertani1Luca Brugnoli2Annalisa Pallini3Corresponding author.; Department of Chemical and Geological Sciences, University of Modena and Reggio Emilia, via G. Campi 103, 41125 Modena, ItalyDepartment of Chemical and Geological Sciences, University of Modena and Reggio Emilia, via G. Campi 103, 41125 Modena, ItalyDepartment of Chemical and Geological Sciences, University of Modena and Reggio Emilia, via G. Campi 103, 41125 Modena, ItalyDepartment of Chemical and Geological Sciences, University of Modena and Reggio Emilia, via G. Campi 103, 41125 Modena, ItalyThe continuous development and improvement of interatomic potential models for oxide glasses have made classical molecular dynamics a powerful computational technique routinely used for studying the structure and properties of such materials on a par with the more advanced experimental techniques.In this brief review, we retrace the development of the most used interatomic potential models from the earliest MD simulations up to now with a look at the possible future developments in this field due to the advent of the machine learning era and data-driven methods.http://www.sciencedirect.com/science/article/pii/S2590159122000358Molecular dynamics simulationsInteratomic potentialsOxide glassesStructureProperties |
| spellingShingle | Alfonso Pedone Marco Bertani Luca Brugnoli Annalisa Pallini Interatomic potentials for oxide glasses: Past, present, and future Journal of Non-Crystalline Solids: X Molecular dynamics simulations Interatomic potentials Oxide glasses Structure Properties |
| title | Interatomic potentials for oxide glasses: Past, present, and future |
| title_full | Interatomic potentials for oxide glasses: Past, present, and future |
| title_fullStr | Interatomic potentials for oxide glasses: Past, present, and future |
| title_full_unstemmed | Interatomic potentials for oxide glasses: Past, present, and future |
| title_short | Interatomic potentials for oxide glasses: Past, present, and future |
| title_sort | interatomic potentials for oxide glasses past present and future |
| topic | Molecular dynamics simulations Interatomic potentials Oxide glasses Structure Properties |
| url | http://www.sciencedirect.com/science/article/pii/S2590159122000358 |
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