Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
Initialising ...
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：45.8(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.
and GeOKohara, Shinji*; Suzuya, Kentaro
Journal of Physics; Condensed Matter, 17(5), p.S77 - S86, 2005/02
Times Cited Count：84 Percentile：90.98(Physics, Condensed Matter)The total structure factors, S(Q), obtained from high-energy X-ray and neutron diffraction measurements on vitreous SiO (v-SiO) and vitreous GeO (v-GeO) have been analysed by the reverse Monte Carlo (RMC) modelling technique to generate a three-dimensional structural model. The bond angle distributions and the ring size distributions from the model indicated that the sixfold ring and six- and sevenfold rings are dominant in v-SiO and v-GeO, respectively. However, the fraction of threefold rings of Ge in v-GeO is larger than that of Si in v-SiO glass. These features are consistent with the published neutron diffraction and Raman scattering studies.
O
Yoneda, Yasuhiro*; Kohara, Shinji*; Suzuya, Kentaro; Umesaki, Norimasa*
Physics and Chemistry of Glasses, 41(5), p.282 - 285, 2000/10
no abstracts in English
Suzuya, Kentaro; D.L.Price*; C.-K.Loong*; Kohara, Shinji*
Journal of Physics and Chemistry of Solids, 60(8-9), p.1457 - 1460, 1999/00
Times Cited Count：26 Percentile：76.8(Chemistry, Multidisciplinary)no abstracts in English
