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THERMODINAMIC MODELING OF MATERIALS

CODE 108100
ACADEMIC YEAR 2022/2023
CREDITS
  • 4 cfu during the 1st year of 11430 SCIENZA E TECNOLOGIA DEI MATERIALI (LM SC.MAT.) - GENOVA
  • SCIENTIFIC DISCIPLINARY SECTOR CHIM/03
    TEACHING LOCATION
  • GENOVA
  • SEMESTER 2° Semester
    TEACHING MATERIALS AULAWEB

    AIMS AND CONTENT

    LEARNING OUTCOMES

    Acquisition of theoretical knowledge in the field of thermodynamic modeling of materials:
    - general principles and methods of thermodynamic modeling;
    - phase modeling (gas, liquid, solid);
    - in-depth study of the modeling of solid phases with particular reference to their crystalline structure;
    - modeling of the main phases present in both metallic and ceramic materials;
    - modeling of complex (multi-phase and multi-component) systems for the simulation of technological materials and the design of new materials.
    Acquisition of practical knowledge in the use of software for the thermodynamic simulation of materials (calculation of phase equilibria, phase diagrams, thermodynamic properties, etc.):
    - Learning how to use the Thermo-Calc program;
    - Its application to the solution of industrial application problems and the design of new materials.

    AIMS AND LEARNING OUTCOMES

    The acquisition of theoretical skills (see Learning outcomes) are suitable for the "Materials Scientist: Research Specialist" profile, while the acquisition of practical skills (see Learning outcomes) are suitable for the "Materials Scientist: Technology Specialist".
    
     

    TEACHING METHODS

    Lectures and classroom exercises (both single and in groups)

    SYLLABUS/CONTENT

    Brief introduction to materials modeling

    Modeling methods at different dimensional scales. Brief mention of the main modeling methodologies typical of the different scales, such as ab initio methods (DFT), molecular dynamics, Monte Carlo methods, phase field modeling, finite elements, etc.

    Detailed study of thermodynamic modeling

    Introduction to thermodynamic principles and methods applied to equilibria in multi-component and multi-phase systems. The CALPHAD method for the calculation and prediction of phase equilibria and thermodynamic properties in complex materials such as metal alloys (steels, superalloys, high entropy alloys, etc.) and ceramic materials (classical and advanced ceramics, thermal barriers, ultra-high temperatures ceramics, etc.). Modeling of diffusion-controlled transformations and processes (carburetion, wetting, joining, brazing, etc.)

    Practise

    Introduction to the use of thermodynamic modeling software. Its application to the (suitably simplified) simulation of materials and processes through guided exercises on:
    - Design of an alloy with defined properties,
    - Prediction of the interactions between an alloy and a ceramic material,
    - Simulation of a thermochemical process

     

    RECOMMENDED READING/BIBLIOGRAPHY

    Hans Lukas, Suzana G. Fries, Bo Sundman, Computational Thermodynamics - The Calphad Method, Cambridge University Press

    TEACHERS AND EXAM BOARD

    Exam Board

    GABRIELE CACCIAMANI (President)

    LESSONS

    LESSONS START

    according to the timetable shown on the course website

    Class schedule

    All class schedules are posted on the EasyAcademy portal.

    EXAMS

    EXAM DESCRIPTION

    Evaluation of the reports on the exercises and final oral exam.
     

    The reports on the practical activity, drawn up individually by each student, are corrected and evaluated by the professor. The average of the marks of the reports contributes to the final evaluation of the student. The oral exam is always conducted by two teachers and lasts at least 30 minutes.

    ASSESSMENT METHODS

    With the methods described above, given that at least one of the two teachers has many years of exam experience in the discipline, the commission is able to verify with high accuracy the achievement of the educational objectives of the teaching. When these are not reached, the student is invited to deepen the study and to make use of further explanations by the teacher. The CCS guarantees the correspondence between the topics of the exam and those actually carried out during the course. To this end, the teacher in charge makes the detailed program public at the beginning of the lessons (on a site called the AulaWeb reserved for university teachers and students). Furthermore, at the end of the course, the register of lessons is published on a site reserved for CCS members and student representatives. In this way the students themselves can verify compliance with this rule.