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Kobayashi, Keita; Okumura, Masahiko; Nakamura, Hiroki; Itakura, Mitsuhiro; Machida, Masahiko; Urata, Shingo*; Suzuya, Kentaro
Scientific Reports (Internet), 13, p.18721_1 - 18721_12, 2023/11
Times Cited Count:1 Percentile:40.78(Multidisciplinary Sciences)The first sharp peak diffraction peak (FSDP) in the structure factor of amorphous materials is thought to reflect the medium-range order structure in amorphous materials, and the structural origin of the FSDP has been a subject of ongoing debate. In this study, we employed machine learning molecular dynamics (MLMD) with nearly first-principles calculation accuracy to investigate the structural origin of the FSDP in high-density silica glass. First, we successfully reproduced various experimental data of high-density silica glass using MLMD. Furthermore, we revealed that the development (or reduction) of the FSDP in high-density silica glass is characterized by the deformation behavior of ring structures in Si-O covalent bond networks under compression.
Ando, Masanori; Kawasaki, Nobuchika; Enuma, Yasuhiro*; Urata, Kazuhiro*; Date, Shingo*; Hirose, Yuichi*; Watanabe, Sota*
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