Interatomic potentials for oxide glasses: Past, present, and future

Autor: Alfonso Pedone, Marco Bertani, Luca Brugnoli, Annalisa Pallini
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Journal of Non-Crystalline Solids: X, Vol 15, Iss , Pp 100115- (2022)
Druh dokumentu: article
ISSN: 2590-1591
DOI: 10.1016/j.nocx.2022.100115
Popis: 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.
Databáze: Directory of Open Access Journals