| Full text | |
| Author(s): |
Khare, Eesha
;
de Alcantara, Amadeus C. S.
;
Lee, Nic
;
Skaf, Munir S.
;
Buehler, Markus J.
Total Authors: 5
|
| Document type: | Journal article |
| Source: | MATERIALS ADVANCES; v. 5, n. 5, p. 7-pg., 2024-01-11. |
| Abstract | |
Reversible crosslinkers can enable several desirable mechanical properties, such as improved toughness and self-healing, when incorporated in polymer networks for bioengineering and structural applications. In this work, we performed coarse-grained molecular dynamics to investigate the effect of the energy landscape of reversible crosslinkers on the dynamic mechanical properties of crosslinked polymer network hydrogels. We report that, for an ideal network, the energy potential of the crosslinker interaction drives the viscosity of the network, where a stronger potential results in a higher viscosity. Additional topographical analyses reveal a mechanistic understanding of the structural rearrangement of the network as it deforms and indicate that as the number of defects increases in the network, the viscosity of the network increases. As an important validation for the relationship between the energy landscape of a crosslinker chemistry and the resulting dynamic mechanical properties of a crosslinked ideal network hydrogel, this work enhances our understanding of deformation mechanisms in polymer networks that cannot easily be revealed by experiment and reveals design ideas that can lead to better performance of the polymer network at the macroscale. Reversible crosslinkers can enable several desirable mechanical properties, such as improved toughness and self-healing, when incorporated in polymer networks for bioengineering and structural applications. (AU) | |
| FAPESP's process: | 13/08293-7 - CCES - Center for Computational Engineering and Sciences |
| Grantee: | Munir Salomao Skaf |
| Support Opportunities: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |
| FAPESP's process: | 18/18503-2 - Osteoporosis diagnosis through multiscale modeling of bone fracture using the boundary element method and molecular dynamics |
| Grantee: | Amadeus Cavalcanti Salvador de Alcântara |
| Support Opportunities: | Scholarships in Brazil - Doctorate (Direct) |
| FAPESP's process: | 22/03410-4 - Osteoporosis diagnosis through multiscale modeling of bone fracture using the boundary element method, molecular dynamics, and other computational methods |
| Grantee: | Amadeus Cavalcanti Salvador de Alcântara |
| Support Opportunities: | Scholarships abroad - Research Internship - Doctorate (Direct) |