01UHXIV

A.A. 2020/21

Course Language

Inglese

Course degree

Doctorate Research in Energetica - Torino

Course structure

Teaching | Hours |
---|---|

Lezioni | 20 |

Teachers

Teacher | Status | SSD | h.Les | h.Ex | h.Lab | h.Tut | Years teaching |
---|---|---|---|---|---|---|---|

Fasano Matteo | Professore Associato | ING-IND/10 | 20 | 0 | 0 | 0 | 4 |

Teaching assistant

Context

SSD | CFU | Activities | Area context |
---|---|---|---|

*** N/A *** |

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. The recent possibility of coupling machine learning tools with multi-scale materials modelling will be also discussed. 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 will be provided, with focus on nanocolloids, nanocomposites, and nanoporous materials.

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. The recent possibility of coupling machine learning tools with multi-scale materials modelling will be also discussed. 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 will be provided, with focus on nanocolloids, nanocomposites, and nanoporous materials.

None

None

Fundamentals of energy transport by principal energy carriers: electrons, phonons, fluid particles, photons. Theoretical framework: overview of statistical thermodynamics, kinetic theory, lattice dynamics. 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. (5 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 theragnostic applications; nanocomposites for aerospace and automotive applications; nanoporous materials for thermal energy storage, desalination, and drug delivery; nanostructured solid-liquid interface with tuneable wetting. (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. (8 hours)
Research highlights on current multi-scale materials modelling (possibly coupled with machine learning tools) in the energy, aerospace, chemical and biomedical fields, with attention on nanotoxicity. (3 hours)

Fundamentals of energy transport by principal energy carriers: electrons, phonons, fluid particles, photons. Theoretical framework: overview of statistical thermodynamics, kinetic theory, lattice dynamics. 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. (5 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 theragnostic applications; nanocomposites for aerospace and automotive applications; nanoporous materials for thermal energy storage, desalination, and drug delivery; nanostructured solid-liquid interface with tuneable wetting. (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. (8 hours)
Research highlights on current multi-scale materials modelling (possibly coupled with machine learning tools) in the energy, aerospace, chemical and biomedical fields, with attention on nanotoxicity. (3 hours)

Modalità mista

Mixed mode

Presentazione orale - Presentazione report scritto

Oral presentation - Written report presentation

P.D.2-2 - Luglio

P.D.2-2 - July

13/07/2021
14:30-17:30
Course introduction. Statistical thermodynamics and kinetic theory
3 hours
Lecture
Matteo Fasano
14/07/2021
14:30-16:30
Peculiar heat&mass transfer phenomena at the nanoscale
2 hours
Lecture
Matteo Fasano
15/07/2021
14:30-18:30
Molecular Dynamics modelling (+case studies)
4 hours
Lecture
Giulia Mancardi
19/07/2021
14:30-16:30
Research highlights on quantum effects and heat transfer (in collaboration with INRiM)
2 hours
Seminar lecture
Pietro Asinari
19/07/2021
16:30-17:30
Research highlights on current multi-scale materials modelling
1 hour
Seminar lecture
Matteo Fasano
Giulia Mancardi
21/07/2021
14:30-16:30
Hands-on laboratory 1: installing and using the GROMACS software
2 hours
Virtual laboratory
Matteo Fasano
21/07/2021
16:30-18:30
Hands-on laboratory 2: computing the thermal conductivity of solid materials
2 hours
Virtual laboratory
Matteo Fasano
22/07/2021
14:30-16:30
Hands-on laboratory 3: computing the thermal boundary resistance at different interfaces
2 hours
Virtual laboratory
Matteo Fasano
22/07/2021
16:30-18:30
Hands-on laboratory 4: computing the self-diffusion coefficient of nanoconfined water
2 hours
Virtual laboratory
Matteo Fasano
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.

13/07/2021
14:30-17:30
Course introduction. Statistical thermodynamics and kinetic theory
3 hours
Lecture
Matteo Fasano
14/07/2021
14:30-16:30
Peculiar heat&mass transfer phenomena at the nanoscale
2 hours
Lecture
Matteo Fasano
15/07/2021
14:30-18:30
Molecular Dynamics modelling (+case studies)
4 hours
Lecture
Giulia Mancardi
19/07/2021
14:30-16:30
Research highlights on quantum effects and heat transfer (in collaboration with INRiM)
2 hours
Seminar lecture
Pietro Asinari
19/07/2021
16:30-17:30
Research highlights on current multi-scale materials modelling
1 hour
Seminar lecture
Matteo Fasano
Giulia Mancardi
21/07/2021
14:30-16:30
Hands-on laboratory 1: installing and using the GROMACS software
2 hours
Virtual laboratory
Matteo Fasano
21/07/2021
16:30-18:30
Hands-on laboratory 2: computing the thermal conductivity of solid materials
2 hours
Virtual laboratory
Matteo Fasano
22/07/2021
14:30-16:30
Hands-on laboratory 3: computing the thermal boundary resistance at different interfaces
2 hours
Virtual laboratory
Matteo Fasano
22/07/2021
16:30-18:30
Hands-on laboratory 4: computing the self-diffusion coefficient of nanoconfined water
2 hours
Virtual laboratory
Matteo Fasano
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.

© Politecnico di Torino

Corso Duca degli Abruzzi, 24 - 10129 Torino, ITALY

Corso Duca degli Abruzzi, 24 - 10129 Torino, ITALY