Shear Deterioration of the Hierarchical Structure of Cellulose Microfibrils under Water Condition: All-Atom Molecular Dynamics Analysis - Izumi, Yukihiro; Saitoh, Ken-ichi; Sato, Tomohiro; Takuma, Masanori; Takahashi, Yoshimasa (Applied Mechanics, 2023)
Keywords: all-atom modeling; Cellulose; cellulose nanofiber; Composite materials; Deformation; Hydrogen bonds; Interfaces; Mechanical properties; molecular dynamics; shear deformation; shear modulus; Simulation; water