The Martí i Franquès COFUND Doctoral Fellowships Programme (MFP) is a redesign of the existing MF programme, offering 100 doctoral contracts (in four editions : 2017, 2018 and 2020, 2021) at the Universitat Rovira i Virgili (URV).
The programme is uniquely shaped to offer the best training stemming from the "triple i" principles of the Marie Sklodowska-Curie Actions : international, interdisciplinary and intersectoral.
In order to achieve these goals, we combine leading research groups at URV with scientific partners from world-class institutions, such that the candidates are be exposed to interdisciplinary training as well as mentoring from the industrial sector.
Through MFP, URV is in a unique position to offer the best conditions for doctoral training, based on the principles of the and the Code of Conduct for the Recruitment of Researchers (guaranteed by the HR award that URV has received in 2014), as well as the .
Description of the research project (reference : 2020MFP-COFUND-15)
Mesoscopic heat transport can be found in miniaturized systems such as molecular motors, microelectronic devices, but also in reactive fronts and interfaces.
Large temperature gradients (10E6-10E8 K / m) may induce strong couplings between non-equilibrium processes which are of paramount importance in the understanding and the modelling of energy transfer at the nano-scale 1 .
The Lagrangian description of fluid dynamics and heat transport is particularly useful when free and mobile interfaces are present 2 .
Bottom-up methods, such as the Dissipative Particle Dynamics with energy conservation (DPDE), are suitable for coarse-graining from molecular simulations.
DPDE was introduced by the URV team 3 , and has been recently extensively applied 4 . At present, a generalised DPDE can describe microscopically complex systems 5 .
The main objective of this thesis is to propose an analysis of the heat transport in systems of interest, using the Generalised DPDE model.
Several fundamental questions need to be solved, involving the formulation of fluctuating thermodynamics of smalls systems as well as the impact of the coarse-graining from direct molecular simulations 6 .
Such a scale analysis should provide the variation of the model parameters, for both reversible as well as dissipative interactions, as functions of the coarse-graining, from low levels near the molecular world dominated by fluctuations, to large coarse-graining levels, where the fluctuations are subdominant.
This approach will provide the lacking crossover between molecular simulations, the generalised DPDE mesoscale dynamics and the macroscopic SPH for fluid dynamics.
1 G. Casati, Nature Nanotechnology 2, 23 (2007); M. Hu, et al., Appl. Phys. Lett. 95, 151903 (2009); H. Acharya, et al., Industrial & Engineering Chemistry Research 51, 1767 (2012).
2 J. J. Monaghan, Rep. Prog. Phys. 68, 1703 (2005)A. Colagrossi, D. Durante, J. B. Avalos, A. Souto-Iglesias, Phys. Rev.
E 96 (2017), 023101, J. B. Avalos, M. Antuono, A. Colagrossi, A. Souto-Iglesias, Phys. Rev. E 101 (2020), 013302, class "panel-body">
Required Research Experiences