PERIOD: JUNE - JULY The prediction of heat and mass transfer properties of modern nanostructured materials is required to push them from lab to mass production in a broad variety of industries, especially in the energy, aerospace, chemical and biomedical fields. This course aims at introducing the main ideas associated with the modelling of heat and mass transfer phenomena at the nanoscale, with the final target to develop multi-scale models of components made of nanostructured materials. In the course, the theoretical aspects related to nanoscale heat and mass transfer will be accompanied by hands-on activities on some common simulation techniques (e.g. Monte Carlo, molecular dynamics). Examples of modelling approaches spanning from nano- to macro-scale are provided, with focus on nanocolloids, nanocomposites and nanoporous materials.

Fundamentals of energy transport by principal energy carriers: electrons, phonons, fluid particles, photons. Overview of statistical thermodynamics and kinetic theory. Heat transfer at the nanoscale: thermal properties of solids and size effects, phonon transport and interface scattering (thermal boundary resistance). Mass transfer at the nanoscale: viscosity and diffusivity of nanoconfined fluids, velocity slip. (10 hours) Introduction to classical molecular mechanics. Interaction potentials. Computational algorithms and post-processing techniques in atomistic simulations. Examples of Monte Carlo and molecular dynamics simulations: nanocolloids for solar thermal and theranostic applications; nanocomposites for aerospace and automotive applications; nanoporous materials for thermal energy storage, desalination and drug delivery. Approach to multi-scale problems. (4 hours) Hands-on laboratory on molecular dynamics simulations (GROMACS software): geometry and topology creation, energy minimization, setup equilibration, equilibrium/non-equilibrium simulations, post-processing of molecular dynamics trajectories. (6 hours)

16/07/2020 15:00-18:00 Course introduction. Statistical thermodynamics and kinetic theory - 3 hours Lecture 20/07/2020 10:00-12:00 Peculiar heat&mass transfer phenomena at the nanoscale - 2 hours Lecture 20/07/2020 14:30-17:30 Measuring heat&mass transfer phenomena at the nano-/microscale (in collaboration with INRiM) - 3 hours Seminar lecture 21/07/2020 14:30-18:30 Modelling nanoscale heat and mass transfer phenomena (+case studies) - 4 hours Lecture 22/07/2020 14:30-16:30 Hands-on laboratory 1: installing and using the GROMACS software - 2 hours Virtual laboratory 22/07/2020 16:30-18:30 Hands-on laboratory 2: computing the thermal conductivity of solid materials 2 hours Virtual laboratory 23/07/2020 14:30-16:30 Hands-on laboratory 3: computing the thermal boundary resistance at different interfaces 2 hours Virtual laboratory 23/07/2020 16:30-18:30 Hands-on laboratory 4: computing the self-diffusion coefficient of nanoconfined water 2 hours Virtual laboratory Exam Each student will be asked to prepare a 15-slides report focusing on a topic of her/his interest among the ones discussed in the course. The final exam will consist in a 15-minutes presentation of the report followed by an oral Q&A session. The exam will be done through the Virtual Classroom of Politecnico di Torino, and the presentations will be available to all the class. Each student will agree the most suitable exam date with the professor.

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Gli studenti e le studentesse con disabilità o con Disturbi Specifici di Apprendimento (DSA), oltre alla segnalazione tramite procedura informatizzata, sono invitati a comunicare anche direttamente al/la docente titolare dell'insegnamento, con un preavviso non inferiore ad una settimana dall'avvio della sessione d'esame, gli strumenti compensativi concordati con l'Unità Special Needs, al fine di permettere al/la docente la declinazione più idonea in riferimento alla specifica tipologia di esame.