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Learn phonon calculations and their applications in thermodynamics through this comprehensive lecture from the 2017 ICTP workshop. Explore the theoretical foundations of lattice dynamics, including the calculation of phonon dispersion relations and density of states using first-principles methods. Discover how to compute thermodynamic properties such as heat capacity, thermal expansion, and free energy from phonon spectra. Master practical techniques for performing phonon calculations using density functional theory, including the treatment of dynamical matrices and the implementation of finite displacement and density functional perturbation theory approaches. Examine real-world applications in materials science, including the prediction of phase stability, thermal conductivity, and temperature-dependent properties of crystalline solids. Gain insights into advanced topics such as anharmonic effects, temperature-dependent phonon properties, and the connection between microscopic lattice vibrations and macroscopic thermodynamic behavior.
