Impact of doping on the thermal properties of polymeric films
Fellow:
Paolo Sebastiano Floris (ESR 7)
Home Institution:
Consejo Superior de Investigaciones Científicas, Instituto de Ciencia de Materiales de Barcelona, Spain (ICMAB-CSIC)
1st Secondment:
Linköping University, Sweden
2nd Secondment:
Hot Disk AB, Sweden
Supervisor:
Riccardo Rurali (ICMAB-CSIC)
Co-Supervisor:
Igor Zozoulenko (Linköping)
Objectives
- Study of the thermal conductivity of undoped polymeric films of different morphologies and microstructures within equilibrium MD
- Impact of doping on the thermal conductivity of the systems studied in T3.1 within equilibrium MD
- Study of thermal rectification by means of nonequilibrium MD in polymeric films with nonuniform morphologies and/or junctions between different polymeric films
- Nonequilibrium MD simulations of thermal transport polymeric films with designed ordered morphologies to unveil possible effects of transient thermal rectification.
Expected results
- Mapping the dependence of the thermal conductivity on the most relevant parameters describing a polymeric film: morphology, ordering and doping
- Understanding the structural characteristics that can lead to transient and steady-state thermal rectification.
Skills acquired
- Atomistic theoretical calculation of the thermal conductivity of a polymeric film within MD