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ESR Project 7

Impact of doping on the thermal properties of polymeric films

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

Riccardo Rurali (ICMAB-CSIC)

Igor Zozoulenko (Linköping)

Map ESR Project 7


  • 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