MSE 3050, Thermodynamics and Kinetics of Materials, Leonid ZhigileiInstructor: Leonid ZhigileiOffice: Wilsdorf Hall 303DOffice Hours: 11:00 am to noon Tuesday & openTelephone: (434) 243 3582E-mail: [email protected] with Illuminate: Michael RedwineE-mail: [email protected] web page:http://www.people.virginia.edu/~lz2n/mse305/Class e-mail list: [email protected] Information:Monday and Wednesday, 3:30 – 4:45 pmMechanical Engineering Building 339MSE 3050: Thermodynamics and Kinetics of MaterialsMSE 3050, Thermodynamics and Kinetics of Materials, Leonid ZhigileiResearch in Computational Materials Group:impact resistance of carbon nanotube materialsnanofibrous and nanocrystalline materialsgeneration of crystal defectsGroup Web Site: http://faculty.virginia.edu/CompMat/laser-materials interactions:laser ablationnano-structured materials:laser meltingDevelopment of computational methods for materials modeling at multiple length & time-scales Investigation of non-equilibrium materials processing, properties of nanostructured materials, mechanisms of phase transformationsacoustic activation of surface processes:acoustic pulseMSE 3050, Thermodynamics and Kinetics of Materials, Leonid ZhigileiName:E-mail:Major:Minor (if any):Are you involved in a research project? If so, what is the topic? Who is your research adviser?What is your objective for taking mse3050? What do you hope to learn from this course?Have you had any course(s) on thermodynamics? Have you taken mse2090? Any other materials science courses?What computer language(s) do you know? Do you know how to write, compile, and run a code that does simple calculations and writes to a file?MSE 3050: Thermodynamics and Kinetics of Materials QuestionnaireMSE 3050, Thermodynamics and Kinetics of Materials, Leonid Zhigilei¾ Homework 25%¾ Mid-Term tests 30% ¾ The final exam: 45%Homework will be due at the beginning of class on the due date. Homework solutions should be neat and stapled. Late homework is not accepted.Discussions among students through the class e-mail list are permitted/encouraged at the conceptual level, but comparing the results and discussing/copying solutions is not allowed.Mid-term tests and the final exam: pledged, closed-book and closed-notesGrading:MSE 3050, Thermodynamics and Kinetics of Materials, Leonid ZhigileiMain (optional) text: D. A. Porter and K. E. Easterling, Phase Transformations in Metals and Alloys, 2ndedition, Chapman & Hall, London, UK, 1992 (TN690 .P597) (reserve circulate at Science and Engineering Library). can be bought at www.crcpress.com or www.amazon.com… or search for a used copy, e.g., athttp://www.isbns.net/author/K_E_EasterlingReprinted by CRC Press in 2003 & 2009 (3rdedition), but, aparently, with many typos and errors…Lecture notes will appear at the class web page (http://www.people.virginia.edu/~lz2n/mse305) as course progresses. Optional textbooks (placed on reserve circulate):D. R. Gaskell, Introduction to the Thermodynamics of Materials, 4thEd., New York: Taylor & Francis, 2003 (TN673 .G33 2003)can be bought at www.amazon.comTextbooks:MSE 3050, Thermodynamics and Kinetics of Materials, Leonid Zhigilei1. Review of classical thermodynamics needed for understanding of phase diagrams.2. Application of the thermodynamic concepts to the analysis of phase equilibria, phase transformations, and phase diagrams in one-component and multi-component systems. 3. Basic concepts of kinetic phenomena in materials. Mechanisms of diffusion in materials, analytical and numerical methods to describe diffusion. Kinetics of phase transformations. Effect of kinetics on microstructure. Syllabus:thermodynamic driving forces+kinetics of mass and heat transfer=complex microstructure of real materialsMSE 3050, Thermodynamics and Kinetics of Materials, Leonid ZhigileiMSE 3050: Thermodynamics – Phase Diagrams – KineticsReview of classical thermodynamics• First Law - Energy Balanceo Thermodynamic functions of stateo Internal energy, heat and worko Types of paths (isobaric, isochoric, isothermal, adiabatic)o Enthalpy, heat capacity, heat of formation, phase transformationso Calculation of enthalpy as a function of temperatureo Heats of reactions and the Hess’s law• Theoretical calculation of the heat capacity o Principle of equipartition of energyo Heat capacity of ideal and real gaseso Heat capacity of solids: Dulong-Petit, Einstein, Debye modelso Heat capacity of metals – electronic contribution• Entropy and the Second Law o Concept of equilibriumo Reversible and irreversible processeso The direction of spontaneous changeo Entropy and spontaneous/irreversible processeso Calculation of entropy in isochoric and isobaric processeso Calculation of entropy in reversible and irreversible processesMSE 3050, Thermodynamics and Kinetics of Materials, Leonid ZhigileiMSE 3050: Thermodynamics – Phase Diagrams – Kinetics• The Statistical Interpretation of Entropy o Physical meaning of entropyo Microstates and macrostateso Statistical interpretation of entropy and Boltzmann equationo Configurational entropy and thermal entropyo Calculation of the equilibrium vacancy concentration• Fundamental equations o The Helmholtz Free Energyo The Gibbs Free energy o Changes in composition o Chemical potentialo Thermodynamic relations and Maxwell equationsPhase Transitions and Phase Diagrams• One-component systemso Enthalpy and entropy dependence on P and To Gibbs free energy dependence on P and To Clapeyron equationo Understanding phase diagrams for one-component systems o Polymorphic phase transitionso Driving force for a phase transition o First order and second-order phase transitionsMSE 3050, Thermodynamics and Kinetics of Materials, Leonid ZhigileiMSE 3050: Thermodynamics – Phase Diagrams – Kinetics• Introduction to Solution Thermodynamicso Ideal solution: Entropy of formation and Gibbs free energyo Chemical potential of an ideal solutiono Regular solutions: Heat of formation of a solution o Activity of a component o Real solutions: interstitial solid solutions, ordered phases, intermediate phases, compounds o Equilibrium in heterogeneous systems • Binary phase diagrams o Binary phase diagrams and Gibbs free energy curves o Binary solutions with unlimited solubility o Relative proportion of phases (tie lines and the lever principle) o Development of microstructure in isomorphous alloys o Binary eutectic systems (limited solid