Interface Characterization Between Polyethylene/ Silica in Engineered Cementitious Composites by Molecular Dynamics Simulation

通过分子动力学模拟表征工程水泥基复合材料中聚乙烯/二氧化硅之间的界面

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作者:Shuai Zhou, Nam Vu-Bac, Behrouz Arash, Hehua Zhu, Xiaoying Zhuang

Abstract

Polyethylene is widely adopted in engineered cementitious composites to control the crack width. A clearer knowledge of the PE/concrete interfacial properties is important in developing engineered cementitious composites, which can lead to a limited crack width. Tensile failure and adhesion properties of the amorphous polyethylene/silica (PE/S) interface are investigated by molecular dynamics to interpret the PE/concrete interface. The influence of the PE chain length, the PE chain number and coupling agents applied on silica surface on the interfacial adhesion is studied. An increase of the adhesion strength of the modified silica surface by coupling agents compared with the unmodified silica is found. The failure process, density profile and potential energy evolutions of the PE/S interface are studied. The thermodynamic work of adhesion that quantifies the interfacial adhesion of the PE/S interface is evaluated. The present study helps to understand the interfacial adhesion behavior between ECC and PE, and is expected to contribute to restricting the crack width.

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