Multiscale Modeling and Simulation Platform for Materials and Life Sciences

J-OCTA

Multiscale Modeling and Simulation Platform for Materials and Life Sciences

J-OCTA

Multiscale Simulation
Graphene
Dispersibility
Heat Transfer
CFRTP

Thermal analysis which considers the dispersibility of graphene sheets

The thermal conductivity of CFRTP (carbon fiber reinforced thermoplastic) with a PEEK matrix containing graphene sheets was analyzed. Dissipative Particle Dynamics (DPD) was used to determine the dispersion structure of graphene sheets, and the obtained structure was used in Digimat-FE finite element analysis (FEM) to evaluate thermal conductivity. Comparison of dispersed and aggregated states showed that higher dispersion contributed to improved thermal conductivity. The obtained thermal conductivity was used as the homogenized matrix component, and the overall thermal conductivity of the CFRTP was evaluated using the equivalent inclusion theory in Digimat-MF.
Use Cases Highlights
  • Evaluation of graphene dispersion structures
  • Thermal conductivity analysis using Finite Element Method
  • Evaluation of overall thermal conductivity of CFRTP using equivalent inclusion theory

Prediction of graphene dispersion structures

Dissipative Particle Dynamics (DPD) simulation of graphene sheet dispersion in a PEEK matrix is shown, with surface modification effects on dispersion evaluated.

Dispersion structure of graphene

Thermal conductivity analysis using Finite Element Method

The graphene sheet arrangement coordinates calculated in the previous step were used as input values for Digimat-FE to create a mesh structure, and thermal conductivity performance was evaluated using the Digimat-FE Finite Element Method (FEM) solver. The dispersed graphene structure exhibited higher thermal conductivity.

Thermal conductivity analysis by Finite Element Method

Thermal conductivity evaluation of CFRTP as a whole using the equivalent inclusion theory

Using the equivalent inclusion theory in Digimat-MF, the average thermal conductivity perpendicular to fiber orientation was calculated for CFRTP UD materials. The matrix component thermal conductivity was taken from homogenized properties obtained from previous finite element analysis results. It was confirmed that differences in nanoscale filler dispersion structures in the matrix affect overall thermal conductivity.

Evaluation of overall thermal conductivity of CFRTP
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