Integrated Simulation System for Soft Materials.

A simulation of craze growth in glassy polymers during uniaxial elongation was conducted uby sing the molecular dynamics engines, GOGNAC and VSOP. Calculations using Langevin dynamics (Kremer-Grest model) were carried out with reference to Reference (1).

Figs. 1 and 2 show the calculation results for two systems with different molecular mass (number of particles per polymer chain). The void and fibril formation can be confirmed, and the effect of the difference in molecular mass is evaluated.

Fig. 3 shows the stress-strain curves estimated from the results in Figs. 1 and 2. Stress falls after yield in the N=128 system, on the other hand, stress increases after fibril formation in the N=512 system.