Dispersed Structure and Nonlinear Structural Analysis of Carbon Nanotubes

The dispersion of carbon nanotubes (CNTs) in microphase-separated structures of block copolymers was simulated using Dissipative Particle Dynamics (DPD), and the obtained structures were meshed for uniaxial tensile analysis using nonlinear Finite Element Method in Ansys LS-DYNA. The analysis captured stress transfer from interfacial debonding to the polymer region, evaluating the effect of dispersion structure on mechanical properties.

Use Cases Highlights

Evaluation of dispersion structures using DPD
Structural analysis using Ansys LS-DYNA
Observation of interfacial debonding and stress transfer

Phase separation and CNT dispersion structures using DPD

DPD simulations of phase separation and CNT dispersion in diblock copolymers are shown. CNTs are modeled to have high affinity with one component and to be rigid, enabling analysis of dispersion behavior.

Phase separation of diblock copolymer and dispersion structure of CNTs

Meshed dispersion structures

The dispersion structure of CNTs and polymers obtained from DPD calculations was meshed into a 2D model. Thin cohesive elements were set at the interface, allowing interfacial parameters to be adjusted in Finite Element Method (FEM) analysis.

2D mesh data

Deformation analysis using nonlinear Finite Element Method

Uniaxial elongation analysis using nonlinear Finite Element Method (structural analysis) with Ansys LS-DYNA was performed to capture interfacial debonding and stress transfer, clarifying the effect of CNT dispersion structure on stress–strain properties.

Stress distribution during deformation

Reference

[1] Appl. Phys. Lett., 90, 033116, (2007)
[2] T.Ozawa, The Japan Society for Computational Engineering and Science (JSCES) 17th Annual Conference, (2012)

Details of analysis