Complex Network Representation of the Structure-Mechanical Property Relationships in Elastomers with Heterogeneous Connectivity

Yoshifumi Amamoto; Ken Kojio; Atsushi Takahara; Yuichi Masubuchi; Takaaki Ohnishi

doi:10.1016/j.patter.2020.100135

Complex Network Representation of the Structure-Mechanical Property Relationships in Elastomers with Heterogeneous Connectivity

Patterns (N Y). 2020 Oct 28;1(8):100135. doi: 10.1016/j.patter.2020.100135. eCollection 2020 Nov 13.

Authors

Yoshifumi Amamoto^{1

2

3}, Ken Kojio³, Atsushi Takahara³, Yuichi Masubuchi², Takaaki Ohnishi¹

Affiliations

¹ Graduate School of Information Science and Technology, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan.
² Department of Materials Physics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603, Japan.
³ Institute for Materials Chemistry and Engineering, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan.

Abstract

The complicated structure-property relationships of materials have recently been described using a methodology of data science that is recognized as the fourth paradigm in materials science. In network polymers or elastomers, the manner of connection of the polymer chains among the crosslinking points has a significant effect on the material properties. In this study, we quantitatively evaluate the structural heterogeneity of elastomers at the mesoscopic scale based on complex network, one of the methods used in data science, to describe the elastic properties. It was determined that a unified parameter with topological and spatial information universally describes some parameters related to the stresses. This approach enables us to uncover the role of individual crosslinking points for the stresses, even in complicated structures. Based on the data science, we anticipate that the structure-property relationships of heterogeneous materials can be interpretatively represented using this type of "white box" approach.

Keywords: complex network science; mesoscopic descriptor; network polymer; structure-property relationship.