Case Studies

Properties of Crosslinking Materials

Deformation simulations for the stress-strain characteristics of rubber molecule models that contain cross linked structures are conducted. We can evaluate the effects of cross linked structures and cross linked atom types.


Figure 1 Cross Linked Rubber Deformation Simulation

Figure 2 shows a cross linked structure created by the molecular dynamics engine COGNAC. The cross linked structure is created by inserting some cross-linker molecules into the existing bulk-state polymer, and then calculating the reaction between the cross-linker and the monomer within the polymer.


Figure 2 Cross Linked Polymer Structure

Figure 3 shows an example of uniaxial elongation calculation of a generated cross linked structure at a constant speed. As the structure is stretched, polymer chain shows the orientation to elongation direction.


Figure 3 Uniaxial Elongation Calculation of Cross Linked Structure
Upper: Snapshot at 400% Elongation Time Lower: Snapshot at 800% Elongation Time


Figure 4 shows the stress-strain curve lines of a uniaxial elongation when the cross link density has been changed. The larger the increase in cross link density, or the number of cross linking points (N ν), polymer chains are stretched at the earlier stage. This can be seen in the stress values.


Figure 4 Stress-Strain Characteristic and the Cross Link Density Dependency
(Nν: Number of cross linking points)




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