Teilprojekt P12 – Postdoctoral Project: Quantum-to-Continuum Model of Thermoset Fracture
Teilprojekt P12 - Postdoctoral Project: Quantum-to-Continuum Model of Thermoset Fracture
(Third Party Funds Group – Sub project)
Overall project: Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik (FRASCAL)
Project leader: , ,
Project members:
Start date: 2. January 2019
End date: 30. June 2023
Acronym: GRK2423 - P12
Funding source: DFG / Graduiertenkolleg (GRK)
URL: https://www.frascal.research.fau.eu/home/research/p-12-postdoctoral-project-quantum-to-continuum-model-of-thermoset-fracture/
Abstract
Fracture is an inherently multiscale process in which processes at all length- and timescales can contribute to the dissipation of energy and thus determine the fracture toughness. While the individual processes can be studied by specifically adapted simulation methods, the interplay between these processes can only be studied by using concurrent multiscale modelling methods. While such methods already exist for inorganic materials as metals or ceramics, no similar methods have been established for polymers yet.
The ultimate goal of this postdoc project is to develop a concurrent multiscale modelling approach to study the interplay and coupling of process on different length scales (e.g. breaking of covalent bonds, chain relaxation processes, fibril formation and crazing at heterogeneities,…) during the fracture of an exemplary thermoset and its dependence on the (local) degree of cross-linking. In doing so, this project integrates results as well as the expertise developed in the other subprojects and complements their information-passing approach.
Publications
Block Chemistry for Accurate Modeling of Epoxy Resins
In: Journal of Physical Chemistry B (2023), Article No.: 127
ISSN: 1520-6106
DOI: 10.1021/acs.jpcb.3c04724
URL: https://pubs.acs.org/doi/full/10.1021/acs.jpcb.3c04724 , , , , , :
A particle‐continuum coupling method for amorphous polymers with multiple particle‐based domains
In: Proceedings in Applied Mathematics and Mechanics 22 (2023), Article No.: e202200245
ISSN: 1617-7061
DOI: 10.1002/pamm.202200245 , , :