Progress on the theoretical simulations of the radiation aging of silicon rubber

Abstract

Silicone rubbers are extensively used in high-end equipment in ionizing radiation environments because of their satisfactory elasticity, thermostability, high/low-temperature resistance, and aging resistance characteristics. Experimental studies and theoretical calculations are of equal importance because of their complicated radiolytic behaviors and mechanisms. This paper reviews the progress of simulation studies on radiation-aged silicone rubber. Many examples are listed and summarized to reveal their highlights in solving practical issues from the perspective of multiscale simulations, where mutual validation and verification of experiments and simulations are also discussed. Based on the characteristics of the spatiotemporal scale of the modeling methods, this paper is organized into the following six sections. Frequently adopted simulation methods include quantum electrodynamics, density functional theory, quantum molecular dynamics, reactive molecular dynamics, traditional molecular dynamics, and constitutive models and finite-element simulations. These methods are strongly associated with research demands, including the process and mechanism of interaction of silicone with radiation, evolution law and mechanism of system damage, and the structure–property relationship. Some studies have involved several modeling methods that are compiled into the most featured sections. This review presents a wide range of simulation studies on silicone rubber, outlining its research status and the current challenges for the academic and engineering community. This review provides novel ideas and knowledge bases for experimental studies and solutions to engineering problems.

Keywords

• silicone rubber
• radiation aging
• theoretical calculation
• multiscale simulation