Molecular dynamics study of an amorphous polyethylene/silica interface with shear tests

Show simple item record

dc.identifier.uri http://dx.doi.org/10.15488/3473
dc.identifier.uri http://www.repo.uni-hannover.de/handle/123456789/3503
dc.contributor.author Zhuang, Xiaoying
dc.contributor.author Zhou, Shuai
dc.date.accessioned 2018-06-13T13:18:50Z
dc.date.available 2018-06-13T13:18:50Z
dc.date.issued 2018
dc.identifier.citation Zhuang, X.; Zhou, S.: Molecular dynamics study of an amorphous polyethylene/silica interface with shear tests. In: Materials 11 (2018), Nr. 6, 929. DOI: https://doi.org/10.3390/ma11060929
dc.description.abstract An amorphous polyethylene/silica (PE/S) interface exists in many materials. However, the research of the interfacial properties at microscale is lacking. Shear failure and adhesion properties of an amorphous PE/S interface are studied by molecular dynamics. The effects of PE chain length, the number of chains, and coupling agents on the shear behavior and interfacial adhesion are investigated. It is found that the modified silica (mS) surface induces an increase in the adhesion strength compared to unmodified S. The damage process and failure mode of the PE/S and PE/mS interface are analyzed at microscale. The contribution of bond length, bond angle, torsional potentials, and nonbonded energy is estimated as a function of the shear deformation to clarify the deformation mechanisms. The energy partitioning results indicate that the elastic, yield, and postyielding regions are mostly controlled by the nonbonded interactions. The dihedral motions of the chains also have an influence. Furthermore, the simulation results exhibit how the internal mechanism evolves with the shear deformation. © 2018 by the authors. eng
dc.language.iso eng
dc.publisher Basel : MDPI AG
dc.relation.ispartofseries Materials 11 (2018), Nr. 6
dc.rights CC BY 4.0
dc.rights.uri https://creativecommons.org/licenses/by/4.0/
dc.subject Composite eng
dc.subject Damage process eng
dc.subject Interface eng
dc.subject Polyethylene eng
dc.subject Silane coupling agent eng
dc.subject Adhesion eng
dc.subject Amorphous materials eng
dc.subject Bond length eng
dc.subject Chains eng
dc.subject Composite materials eng
dc.subject Coupling agents eng
dc.subject Interfaces (materials) eng
dc.subject Molecular dynamics eng
dc.subject Polyethylenes eng
dc.subject Shear deformation eng
dc.subject Silica eng
dc.subject Amorphous polyethylenes eng
dc.subject Damage process eng
dc.subject Deformation mechanism eng
dc.subject Interfacial adhesions eng
dc.subject Interfacial property eng
dc.subject Nonbonded interaction eng
dc.subject Silane coupling agent eng
dc.subject Torsional potentials eng
dc.subject Shear flow eng
dc.subject.ddc 600 | Technik ger
dc.title Molecular dynamics study of an amorphous polyethylene/silica interface with shear tests
dc.type article
dc.type Text
dc.relation.issn 1996-1944
dc.relation.doi https://doi.org/10.3390/ma11060929
dc.bibliographicCitation.issue 6
dc.bibliographicCitation.volume 11
dc.bibliographicCitation.firstPage 929
dc.description.version publishedVersion
tib.accessRights frei zug�nglich


Files in this item

This item appears in the following Collection(s):

Show simple item record

 

Search the repository


Browse

My Account

Usage Statistics