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ŽÍDEK, J. MILCHEV, A. VILGIS, T.
Original Title
Dynamic behavior of acrylic acid clusters as quasi-mobile nodes in a model of hydrogel network.
Type
journal article - other
Language
English
Original Abstract
Using a molecular dynamics simulation, we study the thermo-mechanical behavior of a model hydrogel subject to deformation and change in temperature. The model is found to describe qualitatively poly-lactide-glycolide hydrogels in which acrylic acid (AA)-groups are believed to play the role of quasi-mobile nodes in the formation of a network. From our extensive analysis of the structure, formation, and disintegration of the AA-groups, we are able to elucidate the relationship between structure and viscous-elastic behavior of the model hydrogel. Thus, in qualitative agreement with observations, we find a softening of the mechanical response at large deformations, which is enhanced by growing temperature. Several observables as the non-affinity parameter A and the network rearrangement parameter V indicate the existence of a (temperature-dependent) threshold degree of deformation beyond which the quasi-elastic response of the model system turns over into plastic (ductile) one. The critical stretching when the affinity of the deformation is lost can be clearly located in terms of A and V as well as by analysis of the energy density of the system. The observed stress-strain relationship matches that of known experimental systems.
Keywords
hydrogel, molecular dynamics, plastic deformation, network, nodes
Authors
ŽÍDEK, J.; MILCHEV, A.; VILGIS, T.
RIV year
2012
Released
28. 12. 2012
ISBN
0021-9606
Periodical
The Journal of Chemical Physics
Year of study
137
Number
24
State
United States of America
Pages from
244908
Pages to
Pages count
8
BibTex
@article{BUT99266, author="Jan {Žídek} and Andrey {Milchev} and Thomas {Vilgis}", title="Dynamic behavior of acrylic acid clusters as quasi-mobile nodes in a model of hydrogel network.", journal="The Journal of Chemical Physics", year="2012", volume="137", number="24", pages="244908--244908", issn="0021-9606" }