1994 Volume 51 Issue 4 Pages 259-263
By using molecular dynamics (MD) simulation of polymer under tension, we studied the mechanical properties of amorphous polymer in view of microscopic dynamics. Our model of amorphous polymethylene was a linear chain of spherical methylene segments which were placed in the basic cell by the phantom chain growth method developed by Clarke and Brown, and the constant tension MD method was adopted. The sample suffered the extremely impactive tension, and the trend of orientation could be detected through 30000 steps (143ps). We observed that the microscopic chain orientation and the macroscopic deformation occurred in some stages. The mode of the orientation was found to be closely correlated with the stages of deformation.
