Dynamic Mechanical Response of Hybrid Physical Covalent Networks − Molecular Dynamics Simulation. Issue 1 (June 2017)

• Record Type: Journal Article
• Authors: Zidek, Jan; Milchev, Andrey; Jancar, Josef; Vilgis, Thomas A.
• Other Names: Lach Ralf guestEditor.; Langer Julia Beate guestEditor.; Michel Peter guestEditor.
• Is Part Of: Macromolecular symposia. Volume 373:Issue 1(2017)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2017-06
• Subjects: deformation -- hybrid gel -- hydrogel -- molecular dynamics -- tensile; Macromolecules -- Congresses; Polymers -- Congresses; Polymerization -- Congresses; Macromolecules -- Periodicals; Polymers -- Periodicals; Polymerization -- Periodicals; 547.705
• DOI: 10.1002/masy.201600147
• Languages: English
• ISSNs: 1022-1360

Abstract

Summary: In this article, we present two principal stimuli that affect the deformation response: additional covalent crosslinking and external deformation. Additional crosslinking leads to hybrid gels which show improved toughness in comparison to the physical gels. The article considers also the change of response of the model as a consequence of external mechanical loading. In this case, the structural changes driven by deformation induce permanent structural changes owing to extensive stretching analogous to filament drawing in spider silk or collagen. Almost identical atomistic configurations are transformed into various materials, depending on the stimulus and the conditions. The intensity of stimuli can be regulated also in real materials. The degree of covalent crosslinking can be regulated for example by ultraviolet irradiation. The permanent changes are observed only when the stretching ratio is sufficiently large and stretching is quick.