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

Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review

Autoren

  • Shuai Zhou
  • Nam Vu-Bac
  • Behrouz Arash
  • Hehua Zhu
  • Xiaoying Zhuang

Organisationseinheiten

Externe Organisationen

  • Chongqing University
  • Tongji University
  • Bauhaus-Universität Weimar
Forschungs-netzwerk anzeigen

Details

OriginalspracheEnglisch
Aufsatznummer1497
FachzeitschriftMolecules
Jahrgang24
Ausgabenummer8
PublikationsstatusVeröffentlicht - 2 Apr. 2019

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.

ASJC Scopus Sachgebiete

Zitieren

Interface Characterization Between Polyethylene/Silica in Engineered Cementitious Composites by Molecular Dynamics Simulation. / Zhou, Shuai; Vu-Bac, Nam; Arash, Behrouz et al.
in: Molecules, Jahrgang 24, Nr. 8, 1497, 02.04.2019.

Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review

Zhou S, Vu-Bac N, Arash B, Zhu H, Zhuang X. Interface Characterization Between Polyethylene/Silica in Engineered Cementitious Composites by Molecular Dynamics Simulation. Molecules. 2019 Apr 2;24(8):1497. doi: 10.3390/molecules24081497, 10.15488/5067
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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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AU - Zhou, Shuai

AU - Vu-Bac, Nam

AU - Arash, Behrouz

AU - Zhu, Hehua

AU - Zhuang, Xiaoying

N1 - Funding Information: This research was funded by Sofa-Kovalevskaja-Award of Alexander von Humboldt-Foundation, and the Fundamental Research Funds for the Central Universities, Project No. 2019CDXYCL0031. The authors acknowledge the support of the cluster system team at the Leibniz University of Hannover, Germany in the production of this work.

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AB - 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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