17:15 〜 19:15
[SCG58-P01] Mechanical properties of 1.1nm tobermorite under shear deformations using ab initio molecular dynamics simulation
キーワード：トバモライト、C-S-H、C-A-S-H、せん断変形、第一原理分子動力学法
In concrete, C-S-H (Calcium Silicate Hydrate) and C-A-S-H (calcium aluminum silicate hydrate) are formed through hydration reactions with cement. X-ray diffraction experiments indicate that the structures of C-S-H and C-A-S-H are similar to those of 1.1nm tobermorite and Al-substituted 1.1nm tobermorite, respectively.
However, the mechanical properties of C-S-H and 1.1nm tobermorite, as well as the effects of Al substitution on the mechanical properties of tobermorite, have not been fully understood.
So far, we have been investigated the mechanical properties under tension and compression using molecular dynamics simulations on the atomic scale.
In addition to these uniaxial deformations, in this study, we perform shear simulations to investigate the mechanical properties under shear deformation using ab initio molecular dynamics simulations.
However, the mechanical properties of C-S-H and 1.1nm tobermorite, as well as the effects of Al substitution on the mechanical properties of tobermorite, have not been fully understood.
So far, we have been investigated the mechanical properties under tension and compression using molecular dynamics simulations on the atomic scale.
In addition to these uniaxial deformations, in this study, we perform shear simulations to investigate the mechanical properties under shear deformation using ab initio molecular dynamics simulations.