Multiscale Modeling and Simulation Platform for Materials and Life Sciences
J-OCTA
Multiscale Modeling and Simulation Platform for Materials and Life Sciences
J-OCTA
Nano-Composite Materials
The mechanical properties of nanocomposite materials made by mixing nanofillers into the amorphous structure of polyethylene were evaluated using Coarse-Grained Molecular Dynamics (CGMD). The effects of nanofiller size, shape, and surface characteristics on Young’s modulus and yield stress were evaluated.
Use Cases Highlights
- Analysis of mechanisms for mechanical property improvement by nanofillers
- Evaluation of the effect of surface properties
- Evaluation of the relationship between intermolecular interactions and mechanical properties
Evaluation of stress–strain properties
Evaluation of stress–strain properties of polyethylene with nanofillers in glassy state is shown, indicating increased modulus and yield stress.
Uniaxial elongation simulation of nanocomposites
Reference
[1] (in Japanese) Kimizuka, Ozawa, Iwashimizu, Japan Society of Polymer Processing Symposium '06, C-203, pp 111-112, (2006)
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)
