Deformation-induced damage and recovery in model hydrogels – A molecular dynamics simulation. (September 2016)

• Record Type: Journal Article
• Authors: Zidek, Jan; Milchev, Andrey; Jancar, Josef; Vilgis, Thomas A.
• Is Part Of: Journal of the mechanics and physics of solids. Volume 94(2016:Sep.)
• Page Start: 372
• Page End: 387
• Publication Date: 2016-09
• Subjects: Mechanics, Applied -- Periodicals; Solids -- Periodicals; Mechanics -- Periodicals; Mécanique appliquée -- Périodiques; Solides -- Périodiques; Mechanics, Applied; Solids; Periodicals; 531.05
• DOI: 10.1016/j.jmps.2016.05.013
• Languages: English
• ISSNs: 0022-5096

Abstract

Abstract: Using molecular dynamics simulation of a model hybrid cross-link hydrogel, we investigate the network damage evolution and the related structure transformations. We model the hydrogel structure as a network-connected assembly of crosslinked clusters whereby deformation-induced damage is considered along with network recovery. The two principal mechanisms involved in hydrogel recovery from deformation include segment hops of the building structure units (segments) between clusters and cluster shape modification. These mechanisms act either instantaneously, or with a certain time delay after the onset of deformation. By elucidating the conditions under which one of the mechanisms prevails, one may design hydrogel materials with a desired response to deformation.