Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields | 研究者総覧SAMURAI - 物質・材料研究機構 (NIMS)

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Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields
(多成分ガラス系 (SiO_2)_0.70(Al_2O_3)_0.13(XO)_0.17 (X=Mg, Ca, Sr, Ba)に対する大規模第一原理計算：古典力場の精度)

Atsushi Tanaka, Atsuki Saito, Takashi Murata, Ayako Nakata, Tsuyoshi Miyazaki.

Journal of Non-Crystalline Solids 625 122714. 2024.

https://doi.org/10.1016/j.jnoncrysol.2023.122714

Open Access Elsevier BV (Publisher) Materials Data Repository (MDR)

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Materials Data Repository (MDR)上の本文・データセット

MDRavailable Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields

作成時刻: 2023-12-22 09:25:05 +0900更新時刻: 2024-05-01 10:03:41 +0900

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