Multiscale Modeling and Simulation Platform for Materials and Life Sciences
J-OCTA
Multiscale Modeling and Simulation Platform for Materials and Life Sciences
J-OCTA
Properties of Crosslinking Materials
The stress–strain behavior of crosslinked rubber materials was analyzed using Coarse-Grained Molecular Dynamics (CGMD). Changes in mechanical properties with varying crosslink density were evaluated, and molecular chain orientation and stress-increase behavior were examined.
Use Cases Highlights
- Evaluation of mechanical property changes due to crosslink density
- Stress evaluation using Coarse-Grained MD
- Analysis of the effect of molecular chain orientation
Generation of crosslinked structures
Insertion of crosslinker particles into bulk polymer and generation of crosslinked structures by reaction calculation is shown, followed by uniaxial elongation.
Generation model of crosslinked structures
Stress–strain curve
Changes in stress–strain curves with different crosslink densities are shown. Higher crosslink density tends to cause a steeper increase in stress.
Relationship between crosslink density and stress properties
Details of analysis
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Materials Simulation and Materials Informatics (Automotive)
Materials development through the integration of simulation and data science (Materials DX)
Materials Simulation and Materials Informatics (Mobility)
Materials development through the integration of simulation and data science (Materials DX)
Materials Simulation and Materials Informatics (Electrical Equipment/Precision Equipment/Semiconductors/Heavy Electrical Equipment)
Materials development through the integration of simulation and data science (Materials DX)
