A+ A A-

Seminar: Molecular Simulations of Epoxy Networks and Nanocomposites

Event Details:

  • Date:          Tuesday, 7 March 2023
  • Time:         Starts: 13:00
  • Venue:       This seminar is held as a hybrid event.  You are welcome to join us at the Fresnel Auditorium, The Cyprus Institute.
                       Otherwise please, connect to our live stream of the discussion, available on Zoom (Password: VsSCz1)
  • Speaker:    Dr Spyros Kallivokas, National Technical University of Athens (NTUA)

CyI Logo RTI ver b     CaSToRC HPC


CaSToRC, the HPC National Competence Centre,
 invites you to the EuroCC and SimEA Seminar Series



The subject of the present seminar is the detailed investigation of structural, mechanical, topological and local-segmental properties of epoxy networks of different crosslinking degrees, as well as of interfaces between these networks and graphenic (inclusion) materials. Using atomistic simulations as the principal tool, an epoxy in the bulk is first studied. Following that, the thermodynamics, structure, and interfacial kinetics of a nanocomposite consisting of parallel single layers of pristine, defective, or chemically modified graphene enclosed in the epoxy are investigated.

The study of the nanocomposite interface is targeted at the failure of adhesion brought about by imposition of shear deformation. A new methodology is developed which extends the Boltzmann-Arrhenius-Zhurkov model and it is applied in the prediction of the mechanical response of the material under shear stress. Testing the methodology for the three types of graphenic inclusions over a wide variety of temperatures and stresses, favorable agreement with experimental studies is observed and the factors controlling adhesion at the interface are elucidated.


About the Speaker

spyros kallivokasSpyridon (Spyros) Kallivokas was awarded his PhD in Computational Material Science and Engineering from the National Technical University of Athens (NTUA) in 2020. Thereafter, he continued with post-doctoral research at Charles University (Prague), Jeyrovsky Institute of Physical Chemistry (Prague). Centre of Research and technololgy (CERTH) in Thessaloniki, and now at the Institute of Communication and Computer Systems and in NTUA.
He also serves as a visiting assistant professor in the Materials Science and Technology department at the University of Crete.

His main research activity focuses on structural, dynamical and mechanical properties of polymer networks, nanocomposites and biopolymers.




SimEA logo                    European Union's Horizon 2020 Research and Innovation Programme

The SimEA project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 810660


Download the Spring 2023 CaSToRC HPC National Competence Center Seminar Series programme (PDF)



The seminar will be in English and the event is open to the public.
This seminar is available online only.  You may connect to our live stream of the discussion, available on Zoom (Password: VsSCz1).
Images and/or recordings of our open public events may be used by The Cyprus Institute for dissemination purposes including print and digital media such as websites, press-releases, social media, and live streaming.


This email address is being protected from spambots. You need JavaScript enabled to view it.

View all CyI events.


Additional Info

  • Date: Tuesday, 7 March 2023
  • Time: Starts: 13:00
  • Speaker: Dr Spyros Kallivokas, National Technical University of Athens (NTUA)

Publications & Media