Teacher
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ROVERE MAURO
(syllabus)
PART I: Fundamentals of Thermodynamics and Statistical Mechanics. 1- equilibrium conditions; 2- coexistence between different phases; 3- Van der Waals theory of of the liquid-gas transition. PART II: The liquid state of matter. 1- stable and metastable states of matter; 2- characterization of the liquid state through experimental methods, numerical simulation and theoretical development; 3- distribution functions in canonical and grand-canonical ensemble; 4- distribution functions and structure of liquids; 5- the structure factor of a liquid and its experimental measurement. PART III: Forces between atoms and short range order in liquids. 1- effective potentials; 2- role of the excluded volume effects; 3- hierarchical equations for the distribution functions; 4- the mean force potential; 5- theories of the liquid state, Ornstein-Zernike equation; 6- liquid of hard spheres; 7- Percus-Yevick theory, HNC and modified-HNC theories, the problem of thermodynamic inconsistency. Part IV: Methods of numerical simulation of the properties of liquids. 1- Monte Carlo method, Importance Sampling; 2- Monte Carlo method in different ensembles- 3- Molecular Dynamics, algorithms for the solution of the equations of Newton; 4- Molecular Dynamics in ensembles different from the microcanonical; 5- methods for the calculation of the free energy. Part V: Microscopic description of the dynamics of fluids. 1- Van Hove functions, correlation functions, response functions; 2- fluctuation-dissipation theorem; 3- dynamic structure factor and its experimental measurement; 4- equations in the hydrodynamic limit, ideal liquids and liquids with viscosity; 5- Brownian motion and diffusion; 5- memory functions; 6- simulation methods of the dynamical properties of liquids. PART VI: metastable liquids. 1- characterization of metastable states in statistical mechanics; 2- supercooled liquids and the glass transition; 3- Angell plot; 4- Kauzmann temperature; 5- relaxation dynamics of supercooled liquids.
(reference books)
J.P. HANSEN AND I.R. MCDONALD THEORY OF SIMPLE LIQUIDS SECOND EDITION [ACADEMIC PRESS] P. G. DEBENEDETTI METASTABLE LIQUIDS [PRINCETON UNIVERSITY PRESS]
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