| 摘要 |
<p><P>PROBLEM TO BE SOLVED: To provide a simulation method capable of specifying the energy loss occurring place of a polymer material on a molecular level. Ž<P>SOLUTION: The simulation method of the polymer material using molecular dynamic calculation includes a step S1 for setting the molecular structure of the polymer material to a molecule structural model for simulation modeled so as to include atoms or a limited number particles which show the aggregate of the atoms and a bonding chain for specifying the relative position between the particles, a step S2 for performing deformation simulation, which includes a load deformation process for increasing strain in an arbitrary axial direction and a load removing deformation process for reducing the strain, with respect to the molecule structural model and steps (S3-S6) for specifying the energy loss occurring place on the basis of the difference between the angle αi in the axial direction of the bonding chain at the time of load removing deformation in a specific strain state and the angle α'i of the bonding chain at the time load removing deformation in the same strain state. Ž<P>COPYRIGHT: (C)2007,JPO&INPIT Ž</p> |
