Open PhD positions at the Cyprus University of Technology: 2 positions at Thermodynamics and Transport Phenomena Laboratory

The Thermodynamics and Transport Phenomena Laboratory (T²PL) of the Cyprus University of Technology (CUT) in Limassol, Cyprus is looking for two (2) PhD students to conduct research on the following topics:

1) One (1) post on the following topic: “Modeling the rheological response of entangled polymer melts”

Description: High molecular weight polymers, i.e. those of industrial interest, tend to exhibit completely different behavior than lower molecular weight ones. This lies in the development of entanglements between the polymer chains, which complicates the modeling of their rheological behavior. These polymers are thus called entangled polymers. In the present doctoral work, we aim to perform comprehensive modeling of the rheological response of entangled polymers both from a theoretical perspective and a computational one. In particular, we aim to derive a constitutive model for entangled polymers via the use of either the Generalized Bracket or GENERIC formalisms of non-equilibrium thermodynamics (NET). The attractive advantage of employing a NET formalism is that the resulting constitutive model is, by construction, consistent with the laws of thermodynamics. The constitutive model to be proposed will provide predictions for the fraction of absorbed chains as a function of the strength of the imposed flow, as well as their rheological properties (e.g. their viscosity). Also, to parametrize and validate the new model that is to be developed, we will compare its predictions against results obtained from atomistic molecular dynamics (MD) and non-equilibrium MD (NEMD) simulations of sample entangled polymers [such as polyethylene and poly (ethylene oxide)]. There is significant previous experience in the team, both in the theoretical and computational component, with a large number of published articles in scientific journals of international scope. The successful candidate will be asked to modify and optimize pre-existing models.

2) One (1) post on the following topic: “Understanding the dynamical behavior of chains absorbed on nanoparticles under an externally applied flow field”

Description: Polymer nanocomposites (PNCs), i.e., systems composed of particles of the nanoscale size of any shape (spheres, rods, or sheets) dispersed within a polymer matrix have received cumulative attention in the last decade due to their alluring and unique properties, that render them ideal candidates for several applications. In many cases, e.g. when hydrogen bonds emerge, the polymer chains absorb on the surface of the nanoparticles. In the present doctoral work, we aim to perform comprehensive modeling of the rheological response of PNCs both from a theoretical perspective and a computational one. In particular, we aim to derive a constitutive model for PNCs via the use of either the Generalized Bracket or GENERIC formalisms of non-equilibrium thermodynamics (NET). The attractive advantage of employing a NET formalism is that the resulting constitutive model is, by construction, consistent with the laws of thermodynamics. Theconstitutive model to be proposed will provide predictions for the fraction of absorbed chains as a function of the strength of the imposed flow, as well and as their rheological properties (e.g. their viscosity). Also, to parametrize and validate the new model that is to be developed, we will compare its predictions against results obtained from atomistic molecular dynamics (MD) and non-equilibrium MD (NEMD) simulations of sample PNCs (such as attractive PNC melts using a poly(ethylene glycol) (PEG)/silica nanocomposite). There is significant previous experience in the team, both in the theoretical and computational component, with a large number of published articles in scientific journals of international scope. The successful candidate will be asked to modify and optimize pre-existing models.

Required Qualifications for both positions: Successful candidates must possess a Bachelor’s degree and should possess a postgraduate degree (Μaster’s level) from an accredited University in Chemical Engineering, Theoretical/Computational Chemistry, Computational Materials Science, or Applied Computational Physics. Previous experience in the above-mentioned research topic will be considered an advantage.

Before applying, please communicate with the research advisor of these posts, and the head of the T²PL, Dr. Pavlos S. Stephanou, Assistant Professor, pavlos.stefanou@cut.ac.cy

To apply, please visit this website: https://www.cut.ac.cy/studies/phd/PhD+vacant+positions/