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Interface Characterization Between Polyethylene/ Silica in Engineered Cementitious Composites by Molecular Dynamics Simulation.
Zhou, Shuai; Vu-Bac, Nam; Arash, Behrouz; Zhu, Hehua; Zhuang, Xiaoying.
Afiliación
  • Zhou S; College of Materials Science and Engineering, Chongqing University, Chongqing 400045, China. shuaizhou@cqu.edu.cn.
  • Vu-Bac N; Institute of Structural Mechanics, Bauhaus Universitat-Weimar, Marienstr 15, D-99423 Weimar, Germany. bac.nam.vu@uni-weimar.de.
  • Arash B; Institute of Statics and Dynamics, Leibniz University Hannover, 30167 Hannover, Germany. b.arash@isd.uni-hannover.de.
  • Zhu H; National Laboratory for Disaster Reduction in Civil Engineering, College of Civil Engineering, Tongji University, Shanghai 200092, China. zhuhehua@tongji.edu.cn.
  • Zhuang X; National Laboratory for Disaster Reduction in Civil Engineering, College of Civil Engineering, Tongji University, Shanghai 200092, China. zhuang@ikm.uni-hannover.de.
Molecules ; 24(8)2019 Apr 16.
Article en En | MEDLINE | ID: mdl-30995822
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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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Dióxido de Silicio / Polietileno / Simulación de Dinámica Molecular Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2019 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Dióxido de Silicio / Polietileno / Simulación de Dinámica Molecular Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2019 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza