B1769 - SCIENZA DEI MATERIALI 1

Learning outcomes

At the end of the course, the student is familiar with various classes of materials and the properties that characterize them (mechanical, chemical, electrical, optical, and magnetic). They have understood how such properties are determined by the composition, type of bonding, molecular and/or crystalline structure of the material, and how they can be manipulated through mechanical, thermal, and chemical treatments, defects, and impurities. They are knowledgeable about and can classify the main crystal lattices and interpret phase diagrams. They use different software platforms to visualize the atomic structure of materials and monitor changes induced by mechanical stress and temperature.

Course contents

Module 1 (theory):

Introduction: classification of materials, processes and properties of materials

Atomic structure and interatomic bonding

The structure of crystalline solids: crystal structures, polymorphism and  allotropy; crystal systems, crystallographic directions and planes; crystalline and non crystalline materials, X-ray diffraction; 2D crystals 

Imperfections in Solids: point defects; imperfections; microscopic techniques

Diffusion

Mechanical Properties: stress and strain, elastic and plastic deformations; mechanism of strengthening in metals; fundamentals of fracture;mechanical properties of ceramics

Phase diagrams and nucleation: binary isomorphous systems; binary eutectic systems; phase tranformation, nucleation and growth

Introduction to thermal, electric, magnetic and optical properties of materials

Introduction to advanced materials and properties

Module 2 (computational lab)

At the end of the course the students will learn how to analyze through computational tools the structure and key fundamental properties of materials.

The atomistic models of bulks, ranging from elemental crystals to amorphous compounds and 2D layers, will be constructed and visualized through a software that allows for a direct inspection of geometrical parameters. The equilibrium lattice constant and bulk modulus of different crystals will be derived from the analysis of the equation of state and possible structural phase transitions induced by pressure will be discussed.

The electronic charge distribution within the solids will be visualized and averaged on different atomic planes, the effects of point and extended defects will be also considered.

Solid surfaces will be modelled through periodic supercells, taking also into account the most common reconstructions of semiconductor materials. The adsorption of atoms and molecules will be studied by analyzing the changes in the surface geometry, energy, and electronic charge induced by the adsorbed species.

Solid interfaces will be constructed by matching different lattices andthe electronic charge redistributions occurring when the two surfaces are mated will be analysed.

Atom trajectories produced by molecular dynamics simulations will be visualized and key characteristics such as the system temperature, potential energy, radial distribution function and diffusion coefficients will be derived by post-processing tools.

Readings/Bibliography

Materials Science and Engineering: An Introduction, 10th Edition, William D.Callister Jr., David G. Rethwisch, Wiley & Sons

Scienza e ingegneria dei materiali, William D. jr. Callister, David G. Rethwisch, EDISES

Physical Foundations of Materials Science, Günter Gottstein, Springer Berlin, Heidelberg

Teaching methods

Lectures and exercises in the classroom with slides and / or blackboard (traditional or electronic); computational lab.

Assessment methods

Oral exams

Teaching tools

Slides and / or blackboard (traditional or electronic)

Office hours

See the website of Margherita Marsili

See the website of Maria Clelia Righi