Simulation of tensile deformation behavior of polymer by chain network model

Abstract

Polymeric materials are used in semiconductors. In these days semiconductors are progressed rapidly. Some new packages are produced. The progress enables to reduction in size and weight, but needs improvements of several properties of polymeric materials at the same time. In this study, improvement of mechanical properties is focused. The mechanical properties of polymeric materials are strongly influenced by meso-scale (10/sup -9//spl sim/10/sup -3/ m) structure such as entanglement, orientation, molecular weight distribution, or chain branch, etc. However, the relationship between the meso-scale structure and macro-scale mechanical properties of polymers has not been clarified. The difficulties plaguing the task of probing the basic mechanisms governing polymer behavior stem from the complexities of the meso-scale structure that dominates the response of the material. Some complexities, chain entanglement, chain slip, and Van der Waals' force, make direct experimental identification of these mechanisms extremely difficult. In these days, many studies about problem of properties of polymer have been made by molecular dynamics. It is possible to clear the detail atomic behaviors of polymeric materials On the contrary; it is not easy to simulate the meso-scale molecular chain behaviors, because of ungodly amount of computational time. In this paper, network models of molecular chains which make easy to compose the meso-scale structure, introduced to simulate the meso-scale interactions. Some network models of molecular chains are constructed. These models have different structures. Large strain deformation of these network models is evolved via the molecular dynamics analysis improved by us.