Coarse-Grained Molecular Dynamics Simulation of Fracture Problems in Polycarbonate

Atsushi Kubo; Yoshitaka Umeno

doi:10.4028/www.scientific.net/SSP.258.73

Paper Titles

Dynamics of Bicomponent Nanoparticle Formation under Metal Wire Explosion
p.57

Atomistic Model Analysis of Buckling Behavior of Compressed Carbon Nanotubes
p.61

Cross-Sectional Deformation in Multi-Walled Carbon Nanotubes under Hydrostatic Pressure
p.65

Development of Neural-Network Interatomic Potentials for Structural Materials
p.69

Coarse-Grained Molecular Dynamics Simulation of Fracture Problems in Polycarbonate
p.73

First-Principles Simulation on Thermoelectric Properties in Low-Dimensional Materials
p.77

Comparison of Classical Molecular Dynamics and Ab Initio Modeling of Discrete Breathers in Graphene
p.81

Mesoscopic Description of Dislocation Patterning Using the Concept of Incompatibility of Strains
p.87

How to Measure a Dislocation’s Breakthrough Stress to Estimate the Grain Boundary Resistance against Slip Transfer Based on the DFZ-Model of Fracture
p.93

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Coarse-Grained Molecular Dynamics Simulation of Fracture Problems in Polycarbonate

Abstract:

A coarse-grained particle (CG) model was developed based on all-atom molecular dynamics simulation results, aiming at applying to deformation and fracture analyses of polycarbonate. After confirming the validity of the model, the developed CG model was applied to deformation analyses to investigate the effects of strain rate and multiaxial tension. The effect of strain rate was found to be consistent with an experiment. Two types of deformation behavior were observed according to the type of multiaxial tension.