The Proceedings of The Computational Mechanics Conference
Online ISSN : 2424-2799
2023.36
Session ID : OS-202111
Conference information

Molecular dynamics simulation of the relationship between molecular chain morphology and tensile response of amorphous polyamide
*Toyoshi YOSHIDAKisaragi YASHIROMakoto UCHIDA
Author information
CONFERENCE PROCEEDINGS RESTRICTED ACCESS

Details
Abstract

The nano-microstructure of polyamide is a layered structure of crystalline and amorphous phases called lamellae. Tie molecules that connect neighboring crystalline phases and entanglement points of molecular chains in the amorphous phase are called stress transmitters. They play an important role in macroscopic plastic deformation behavior. The behavior of stress transmitters during deformation has also been evaluated using molecular dynamics methods in previous studies. In this study, we prepared amorphous models for four types of PA (PA6, PA11, PAMXD10, and PA10T), and evaluated the effect of the difference in molecular chain morphology on stress increase during tensile deformation by all-atom molecular dynamics simulation. In addition, we investigate the entanglement of the molecular chains, the bond stretch and bending angle changes at each node, and discuss the relationship between the molecular chain morphology and the stress increase.

Content from these authors
© 2023 The Japan Society of Mechanical Engineers
Previous article Next article
feedback
Top