Detail publikace

Dynamic Responsive Formation of Nanostructured Fibers in a Hydrogel Network: A Molecular Dynamics Study

ŽÍDEK, J. MILCHEV, A. JANČÁŘ, J.

Originální název

Dynamic Responsive Formation of Nanostructured Fibers in a Hydrogel Network: A Molecular Dynamics Study

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

In an effort to study natural fiber formation, such as, e.g., spider silk, we present a model, which is capable of forming biomimetic fibrillar nanostructure from a hydrogel micellar network. The latter consists of interacting atomic groups which form cores of micelles, and of flexible chains forming the shells of the micelles. Micelles are connected in a compact network by linearly stretched chains. The structural elements of the network can be transformed during deformation from micellar into fibrillary type and their evolution is found to depend significantly on strain rate. Our model suggests a set of conditions suitable for the formation of nanostructured fibrillar network. It demonstrates that a fibrillar structure is only formed upon sufficiently fast stretching while, in contrast, the micellar gel structure is preserved, if the material is pulled slowly. We illustrate this key aspect by a minimalistic model of only four chains as part of the whole network, which provides a detailed view on the mechanism of fibril formation. We conclude that such a simplified structure has similar functionality and is probably responsible for the formation of nano-structured molecular fibrils in natural materials.

Klíčová slova

hydrogel; molecular dynamics; relaxation; deformation; nanostructured; network; self-assembly

Autoři

ŽÍDEK, J.; MILCHEV, A.; JANČÁŘ, J.

Vydáno

26. 2. 2020

Nakladatel

Frontiers Media

Místo

LAUSANNE

ISSN

2296-2646

Periodikum

Frontiers in Chemistry

Ročník

8

Číslo

1

Stát

Švýcarská konfederace

Strany od

1

Strany do

15

Strany počet

15

URL

https://www.frontiersin.org/articles/10.3389/fchem.2020.00120/full

Plný text v Digitální knihovně

http://hdl.handle.net/11012/195732

BibTex

@article{BUT166270,
  author="Jan {Žídek} and Andrey {Milchev} and Josef {Jančář}",
  title="Dynamic Responsive Formation of Nanostructured Fibers in a Hydrogel Network: A Molecular Dynamics Study",
  journal="Frontiers in Chemistry",
  year="2020",
  volume="8",
  number="1",
  pages="1--15",
  doi="10.3389/fchem.2020.00120",
  issn="2296-2646",
  url="https://www.frontiersin.org/articles/10.3389/fchem.2020.00120/full"
}