Coupling of Aging Mechanism and Lifetime Prediction for Silicone Rubber Bonding Structure over MD Simulation

IF 3.8 3区工程技术 Q2 ENGINEERING, CHEMICAL

Industrial & Engineering Chemistry Research Pub Date : 2024-09-16 DOI:10.1021/acs.iecr.4c0236910.1021/acs.iecr.4c02369

Shuai Li, Yunfei Gao, Shuangjiang He, Xiwen Gu, Yaoqun Yue, Junjie Liu, Yang Chen*, Huawei Zou*, Zhanbin Xing, Qingnian Liu and Xuan Wang,

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引用次数: 0

Abstract

Silicone rubber bonding structure is widely used in prominent fields such as aviation matter and aerospace, the performance changes of which are of great concern and the occurrence of joint failure can have serious consequences, so it is crucial to assess the failure mechanism and storage life of bonding structures. In this paper, it is suggested that oxygen and water molecules diffused at the interface further break and cross-link with molecular chains, and the interfacial failure occurs for all three kinds of bonding specimens under the artificial accelerated aging conditions of both thermal and hygrothermal aging. By means of molecular dynamics simulation, the diffusion of molecules in different environments at the interface was investigated, further revealing the aging mechanism of the adhesive structure. The parameters describing bonding structures, interfacial binding energy (E) and diffusion coefficient (D), were calculated to construct the storage life prediction model conforming to the adhesive structure, which supports the use of a silicone rubber adhesive structure.

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通过 MD 仿真耦合硅橡胶粘合结构的老化机理和寿命预测

硅橡胶粘接结构广泛应用于航空、航天等重要领域，其性能变化备受关注，一旦发生粘接失效将造成严重后果，因此评估粘接结构的失效机理和储存寿命至关重要。本文认为，在热老化和湿热老化的人工加速老化条件下，界面上扩散的氧分子和水分子会进一步断裂并与分子链交联，三种粘接试样都会发生界面失效。通过分子动力学模拟，研究了分子在界面不同环境下的扩散情况，进一步揭示了粘合结构的老化机理。通过计算描述粘合结构的参数--界面结合能（E）和扩散系数（D），构建了符合粘合结构的储存寿命预测模型，为硅橡胶粘合结构的使用提供了支持。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Industrial & Engineering Chemistry Research 工程技术-工程：化工

CiteScore

7.40

自引率

7.10%

发文量

1467

审稿时长

2.8 months

期刊介绍： ndustrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a weekly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.