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Uniaxial Elongation Analysis
Mechanical properties (uniaxial elongation) can be evaluated using the MD engine COGNAC. The actual calculation procedures involve adding a deformation at a constant speed in a single direction to an existing system. After the calculation is complete, the software will display a stress-strain graph. The scenario file included in the calculation settings is provided to easily perform analyses. From this graph, the Young's modulus, yield stress, and behavior after yield can be evaluated.
Figure 1. Uniaxial Elongation Simulation of Polycarbonate
Figure 2. Stress-Strain Curve of Polycarbonate