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Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations
Author(s) -
Fortino Mariagrazia,
Berselli Alessandro,
StoneWeiss Nicholas,
Deng Lu,
Goel Ashutosh,
Du Jincheng,
Pedone Alfonso
Publication year - 2019
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/jace.16655
Subject(s) - borosilicate glass , boron , interatomic potential , ionic bonding , chemistry , density functional theory , nmr spectra database , materials science , chemical physics , mineralogy , spectral line , computational chemistry , molecular dynamics , ion , physics , composite material , organic chemistry , astronomy