[SY-E12] Symposium E-12

[SY-E12] Simulation of Plasticity in Amorphous Solids

^○Shingo Urata¹, Takahiro Murashima², Shaofan Li³ (1.Innovative Technology Research Center, Asahi Glass Co., Ltd (AGC)., Japan, 2.Dept. of Physics, Tohoku University, Japan, 3.Dept. of Civil and Environmetal Engineering, Univ. of California Berkeley, United States of America)

A Multiscale model to simulate mechanical response of amorphous solids has been developed by coupling molecular mechanics and finite element method. In this method, an atomistic-based representative sampling cell (RS-cell) is embedded into each element to represent inelastic deformations in amorphous materials. Because the method employs a Parrinello-Rahman molecular dynamics based Cauchy-Born rule to construct an atomistically-informed constitutive model at continuum level, it is possible to quantitatively measure amorphous plastic deformations. In other words, the method intrinsically embeds a potential shear-transformation-zone (STZ), and thus the evolution of RS-cells can naturally allow molecular clusters having irreversible microstructure rearrangements at microscale in response to applied loads without using any phenomenological modeling. By using the proposed method, we obtained inelastic hysteresis loops for the amorphous materials under cyclic loading and also shear band formation at macroscale by using the Lennard-Jones binary glass (LJBG) model. In addition, we extended the method to apply to silicate glasses by considering electrostatic interaction. We would also demonstrate fracture simulation of the oxide glasses by coupling the method with Multiscale Cohesive Zone Model.