[S-IT22] 固体地球科学と材料科学の融合が切り拓く新展開

[SIT22-03] Molecular dynamics study on plastic deformation of silica and silicate materials

*三澤 賢明¹、遠藤 毅¹、鶴田 健二¹、下條 冬樹² (1.岡山大学、2.熊本大学)

キーワード：分子動力学シミュレーション、構造変化、シリカおよびシリケート

Materials simulations based on classical, first-principles, and machine-learning molecular dynamics methods are considered as a powerful tool for investigating the microscopic atomistic mechanisms of the structural transformation of solid materials, and are applied in a wide range of fields. In the presentation, we will show our several molecular dynamics studies on the plastic deformation behaviors of silica and silicate materials under tensile strain [1], high-pressure [2], shock compression [3], and shear strain and will discuss application of those methodologies to Earth science.

References:
[1] M. Misawa et al., Sci. Adv. 3, e1602339 (2017).
[2] M. Misawa and F. Shimojo, Phys. Status Solidi B-Basic Solid State Phys. 257, 2000173 (2020).
[3] M. Misawa et al., J. Phys. Chem. Lett. 11 4536-4541 (2020).