MATERIAL & DEVICE MODELLING

This group aims to develop multidisciplinary and multilevel simulation tools to design materials with enhanced thermodynamic properties (heat capacity, thermal conductivity, latent heat), and lab-scale heat storage prototypes.

For what concerns the material design, the simulation tools under development are based on first principle simulation approaches, such as DFT, and on more empirical approaches such as classical Molecular and Brownian Dynamics.

Regarding the lab-scale prototype design, the simulation tools are based on fluid dynamics, on thermo-mechanical analysis and on system integration analysis, the majority of them being the most diffuse commercial codes.

The simulation tools are used within the following research activities:

- Packed-bed thermal storage: material and storage system development
- Nano fluids for SHS & LHS
- Metal Alloys: material characterization and storage system testing

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