Structure of Materials
Spring 2021 · Thermodynamics of Materials
Topics
- Phase diagrams for materials selection: Fe-C: Understanding phase diagrams and their role in materials selection and design
- Case studies: Specific heats and phase transformations
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- Case studies: Saturation vapor pressure
- Case study in reacting gas mixtures; introducing the Nernst equation
- CALPHAD: Case studies and Prof. Olson guest lecture
- Intermediate phases and reactions
- Case study: Reacting, multi-component, multi-phase systems
Readings
- Denbigh, Kenneth. Chapter 4 in The Principles of Chemical Equilibrium , 4th ed. Cambridge University Press, 1981. ISBN: 9780521281508.
- Callister, William D. “Phase Diagrams.” Chapter 9 in Materials Science and Engineering: An Introduction , 8th ed., John Wiley & Sons, 2018. ISBN: 9780470419977.
- Chandler, David. “Statistical Mechanics.” Chapter 3 in Introduction to Modern Statistical Mechanics, 2nd ed., Oxford University Press, 1987. ISBN: 9780195042771.
- Clerc, Daryl G., and David A. Cleary. “Spinodal Decomposition as an Interesting Example of the Application of Several Thermodynamic Principles.” Journal of Chemical Education 72, no. 2 (1995): 112–115.
- Ferrie, Chris. Statistical Physics for Babies. Sourcebooks, 2018. ISBN: 9781492670308.
- Novel for the course this year, two class sessions were devoted to discussing the social and personal aspects of working in the field of materials science. The intention was to have students explore their individual purpose and motivation for pursuing careers in science and engineering, and to have them think about the impact of their work on the wider world.
- There is one required textbook:
- Robert DeHoff, Thermodynamics in Materials Science , 2nd edition, CRC Press, 2006. ISBN: 9780849340659.
- Chapter 4: “Equilibria of Reactions Involving Gases.” Kenneth Denbigh, The Principles of Chemical Equilibrium , 4th edition, Cambridge, 1981. ISBN: 9780521281508.
- Chapter 9: “Phase Diagrams.” William D. Callister, Jr., and David G. Rethwisch, Materials Science and Engineering , 8th edition, Wiley, 2009. ISBN: 9780470419977.
- Chapter 3: “Statistical Mechanics.” David Chandler, Introduction to Modern Statistical Mechanics , Oxford, 1987. ISBN: 9780195042771.
Spring 2019
Structure—or the arrangement of materials’ internal components—determines virtually everything about a material: its properties, its potential applications, and its performance within those applications. This three-part course explores the structure of a wide variety of materials with current-day engineering applications. Taken together, the three modules provide similar content to MIT’s sophomore-level materials structure curriculum. Part 1 of the course introduces amorphous materials and explores glasses and polymers, the factors that influence their structure, and how materials scientists measure and describe the structure of these materials. Then we discuss what it means for a material to be crystalline, how we describe periodic arrangement of atoms in a crystal, and how we can determine the structure of crystals through x-ray diffraction. Parts 2 and 3 explore the structure of materials in further depth. This course was organized as a three-part series on {{% resource_link "cd0cc50a-db56-46b3-9827-354adef40117" "MITx" %}} by MIT’s Department of Materials Science and Engineering and is now archived on the {{% resource_link "e42b2534-d457-4f66-a3c2-dfb7d2186c82" "Open Learning Library" %}}, which is free to use. You have the option to sign up and enroll in each module if you want to track your progress, or you can view and use all the materials without enrolling.
Fall 2005 · Fundamentals of Materials Science
Topics
- Classical or Quantum: Electrons as Waves, Wave Mechanics
- Schrödinger’s Equation and Discrete Energy States of a Confined Electron
- Free Electrons, Electrons in a Metal, and the Scanning Tunneling Microscope
- Recitation
- Curiosity Killed the Cat: General Principles of Quantum Mechanics
- The Hydrogen Atom
- The Hydrogen Atom (cont.)
- 3.014 Lab Week 1
- Alphabet Soup: The Periodic Table
- The Periodic Table (cont.)
- The Variational Principle; Application to Hydrogen Atom
- Molecules from Atoms: Energy Minimization, Hybridization of Atomic Orbitals
- Bonding in Molecules: Hartree and Hartree-Fock Equations, Symmetries, Bond Order
- Polymers Part 1: Diagonalization on a Basis, Huckel Model
- Quantum Oscillation
- 3.014 Lab Week 2
- Point Groups and Bravais Lattices
- Symmetry Operations
- Structure of Solids
- X-ray Diffraction
- X-rays at Work: Laue Condition, Ewald Construction, Bragg’s Law, Powder Diffraction
- 3.014 Lab Week 3
- From Diffraction to Structure
- Symmetries and Tensors
- Non-crystalline Materials
- Polymers Part 2
- Glasses
- Liquid Crystals
- 3.014 Lab Week 4
- Recitation: Final Review
Readings
- E&R: Engel, T., and P. Reid. Physical Chemistry . San Francisco, CA: Benjamin Cummings, 2005. ISBN: 9780805338423. [Note: this is the single-volume edition.]
- A&T: Allen, S. M., and E. L. Thomas. The Structure of Materials . New York, NY: J. Wiley & Sons, 1999. ISBN: 9780471000822.
- Ses #: L1 · Topics: Classical or Quantum: Electrons as Waves, Wave Mechanics · Readings: E&R: Read 12.1, 12.2, 12.4; Study 12.5, 13.2, 13.3 and problem P12.10; Review A.1 (complex numbers). · Topics: Fundamental Concepts · Readings: E&R: 1.1 and 1.2
- Supplementary
- Ses #: L2 · Topics: Schrödinger’s Equation and Discrete Energy States of a Confined Electron · Readings: E&R: Review 12.5, 13.2, and 13.3; Study 13.4 and 13.5.
- Mortimer, R. G. “Principles of Quantum Mechanics: Classical Mechanics.” Section 14.1 in Physical Chemistry . 2nd ed. San Diego, CA: Elsevier, 2000. ISBN: 9780125083461.
- Smith, D. Y. “Spin-Orbit Effects in the F and K Bands of Colored Alkali Halides.” Physical Review B 6, no. 2 (July 15, 1972): 565-581. Fundamental Concepts (cont.) E&R: 1.4, 2.1, 2.2, and 2.3.
- Ses #: L3 · Topics: Free Electrons, Electrons in a Metal, and the Scanning Tunneling Microscope · Readings: E&R: Study 15.1 and 15.2; Read 14.1-14.4. · Topics: First Law of Thermodynamics · Readings: E&R: 2.5, 2.6, 2.7, 2.9, and 3.1.
- Ses #: L4 · Topics: Curiosity Killed the Cat: General Principles of Quantum Mechanics · Readings: E&R: Study 15.3 (2-,3-dim box), 16.3 (?-electrons in conjugated molecules), and 16.5-6 (Scanning Tunnelling Microscope).
- Binning, G., and H. Rohrer. “Scanning tunneling microscopy - from birth to adolescence.” Reviews of Modern Physics 59, no. 3 (1987): 615-625. (1986 Nobel Lecture) Temperature, Heat, and Entropy E&R: 1.3, 2.4, and 3.2.
- Ses #: L5 · Topics: The Hydrogen Atom · Readings: E&R: Study 14.1, 14.2, and 14.3; Read 14.4. · Topics: Heat Storage and Release in Phase Transitions · Readings: E&R: 2.8, 3.4, and 4.6.
- Ses #: L6 · Topics: The Hydrogen Atom (cont.) · Readings: E&R: Study 14.1, 14.2, and 14.3; Read 14.4, also read 22.6 (XPS and Auger) for 3.014 Week 1. · Topics: Examples of Work Important in Materials Science and Engineering: Polarization, Magnetic, Chemical · Readings: Zemansky, M. W., and R. H. Dittman. “Work” In Heat and Thermodynamics . 7th Ed. Burr Ridge, IL: McGraw-Hill, 1996, pp. 49-68. ISBN: 9780070170599.
- Callister, W. D., Jr. “Magnetic Properties.” In Fundamentals of Materials Science and Engineering . 2nd ed. New York, NY: John Wiley & Sons, 2004, pp. 730-744. ISBN: 9780471470144.
- Ses #: L7 · Topics: Alphabet Soup: The Periodic Table · Readings: E&R: Study 18.4, 18.5, and 20.1 to 20.5. · Topics: Thermal Properties of Materials; Fundamental Equations · Readings: E&R: 3.1 and 3.5.
- Ses #: L8 · Topics: The Periodic Table (cont.) · Readings: E&R: Study 21.5 and 21.6; Read: 17.2 (Stern-Gerlach). · Topics: Fundamental Equations (cont.); Equilibrium and the Second Law · Readings: E&R: Chapters 5.1-5.8.
- Dill and Bromberg. “How to Design a Fundamental Equation.” In Molecular Driving Forces . New York, NY: Routledge, 2003, pp. 153-155. ISBN: 9780815320517.
- Ses #: L9 · Topics: The Variational Principle; Application to Hydrogen Atom · Readings: E&R: Study 21.4, 23.1, 23.2, and 23.3. · Topics: Free Energy; Applying the Second Law in Laboratory Conditions · Readings: E&R: 6.1, 6.2, 6.3 (less important), and 6.4.
- Ses #: L10 · Topics: Molecules from Atoms: Energy Minimization, Hybridization of Atomic Orbitals · Readings: E&R: Study 21.4 and 23.3; Read 23.4, 24.1, and 24.2. · Topics: Chemical Potentials and the Gibbs Free Energy · Readings: E&R: 6.4.
- Ses #: L11 · Topics: Bonding in Molecules: Hartree and Hartree-Fock Equations, Symmetries, Bond Order · Readings: E&R: Study 25.2, 25.4, 24.4, and 24.6. · Topics: Models of the Chemical Potential · Readings: E&R: 6.3, 6.4, 6.5, 9.1, 9.2, and 9.5.
- Ses #: L12 · Topics: Polymers Part 1: Diagonalization on a Basis, Huckel Model · Readings: E&R: Study 24.2, 24.4-6; Read math supplement A.7 and A.8, working with determinants and working with matrices. · Topics: Chemical Reaction Equilibria · Readings: E&R: 6.7- 6.9, 6.11, 6.12, and 9.11-9.13.
- Ses #: L13 · Topics: Quantum Oscillation · Readings: E&R: Study 25.7 (Huckel Model), 18.1 (Quantum Oscillator); Read 18.6 (Classical Harmonic Oscillator). · Topics: Electrochemical Equilibria · Readings: E&R: 11.1-11.5, 11.8-11.9, and 11.11-11.13.
- Ses #: L14 · Topics: Point Groups and Bravais Lattices · Readings: E&R: Study 25.7 (Huckel Model), 18.1 (Quantum Oscillator)Read 18.6 (Classical Harmonic Oscillator). · Topics: Batteries; Thermodynamic Stability · Readings: E&R: 6.2 (Maxwell Relations).
- Lupis, C. H. P. “Stability of one-component systems.” In Chemical Thermodynamics of Materials . Upper Saddle River, NJ: Prentice Hall, 1983, pp. 34-35. ISBN: 9780444007797.
- Callen, H. B. “Stability of Thermodynamic Systems.” In Thermodynamics and an Introduction to Thermostatistics . 2nd ed. New York, NY: John Wiley & Sons, 1985, pp. 202-212. ISBN: 9780471862567.
- Ses #: L15 · Topics: Symmetry Operations · Readings: A&T: Study 3.1.1 - 3.1.4, 3.2.1, 3.2.4, and 3.2.5. · Topics: Phase Changes and Phase Diagrams of Single-Component Materials · Readings: E&R: 8.1-8.5.
- Wang, X., S. Scandolo, and R. Car. “Carbon Phase Diagrams from Ab Initio Molecular Dynamics.” Physical Review Letters 95 (October 28, 2005): 185701.
- Ses #: L16 · Topics: Structure of Solids · Readings: A&T: Study 3.1.1-3.1.4 and 3.2.1; Read 3.2.4 and 3.2.5 (only Crystal Systems, Bravais Lattices, Unit Cells). · Topics: Single-Component Phase Diagrams (cont.); Thermodynamics of Solutions · Readings: Gaskell. “The free energy of solution.” Chapter 11.5 in Introduction to Metallurgical Thermodynamics . pp. 328-338
- Ses #: L17 · Topics: X-ray Diffraction · Readings: A&T: Study 3.2.2 up to p. 140, and 3.4. · Topics: Free Energy of Multi-phase Solutions at Equilibrium · Readings: E&R: 9.6 and 9.7.
- Ses #: L20 · Topics: Symmetries and Tensors · Readings: A&T: Study 3.3 (Symmetry Constraints) Read all of Chapter 1. · Topics: Spinodals and Binodals; Continuous Phase Transitions; Introduction to Statistical Mechanics · Readings: E&R: 13.1 and 13.2.
- Zallen. “The Glass Transition.” Chapter 1.4 in The Physics of Amorphous Solids. pp. 16-23.
- Review E&R Chapter 12 -Basic Probability Concepts.
- Ses #: L21 · Topics: Non-crystalline Materials · Readings: A&T: Study 3.3 (Symmetry Constraints) Read all of Chapter 1. · Topics: Connecting Events at the Atomic/Molecular Level to Macroscopic Thermodynamic Behavior: Two Postulates of Statistical Mechanics; Microscopic Definition of Entropy · Readings: E&R: 31.1-31.4.
- Ses #: L22 · Topics: Polymers Part 2 · Readings: A&T: Study 2.1-2.3.1. · Topics: Connecting Events at the Atomic/Molecular Level to Macroscopic Thermodynamic Behavior (cont.): The Boltzman Factor and Partition Function; Thermal Behavior of the Einstein Solid · Readings: E&R: 31.5, 32.1-31.2, 33.1-33.3.
- Ses #: L23 · Topics: Glasses · Readings: A&T: Study 2.1-2.4.3. · Topics: Lattice Models of Materials; Modeling Polymer Solutions · Readings: E&R: 32.3-32.4.
- Dill and Bromberg. Chapter 15 “Solutions & Mixtures.” pp. 267-273, and Chapter 31 “Polymer Solutions.” pp. 593-605. Supplementary
- Ses #: L24 · Topics: Liquid Crystals · Readings: A&T: Study 2.1-2.4 and 4.1-4.4.3. · Topics: Flory-Huggins Theory · Readings: Dill and Bromberg. “Polymer Solutions.” Chapter 31, pp. 593-605.
- Engel, T., and P. Reid. Physical Chemistry . San Francisco, CA: Benjamin Cummings, 2005. ISBN: 9780805338423. [Note: this is the single-volume edition.]
- Allen, S. M., and E. L. Thomas. The Structure of Materials . New York, NY: J. Wiley & Sons, 1999. ISBN: 9780471000822.
- Rohrer, G. Structure and Bonding in Crystalline Materials . New York, NY: Cambridge University Press, 2001. ISBN: 9780521663793.
- Atkins, P. W., and J. de Paula. Physical Chemistry . 7th ed. New York, NY: Oxford University Press, 2002. ISBN: 9780198792857.
- Nye, J. F. Physical Properties of Crystals: Their Representation by Tensors and Matrices . New York, NY: Oxford University Press, 1985. ISBN: 9780198511656.
- Mortimer, R. G. Physical Chemistry . 2nd ed. San Diego, CA: Elsevier, 2000. ISBN: 9780125083461.
- Thaller, B. Visual Quantum Mechanics . New York, NY: Springer-Verlag/TELOS, 2002. ISBN: 9780387989297.
- Bransden, B. H., and C. J. Joachain. Quantum Mechanics . 2nd ed. Upper Saddle River, NJ: Prentice Hall, 2000. ISBN: 9780582356917.
- Bransden, B. H., and C. J. Joachain. Physics of Atoms and Molecules . 2nd ed. Upper Saddle River, NJ: Prentice Hall, 2003. ISBN: 9780582356924.
- Petrucci, R. H., W. S. Harwood, and F. G. Herring. General Chemistry: Principles and Modern Applications . 8th ed. Upper Saddle River, NJ: Prentice Hall, 2001. ISBN: 9780130143297.
- Dill, K. A., and S. Bromberg. Molecular Driving Forces . New York, NY: Routledge, 2002. ISBN: 9780815320517.
- Bent, H. A. The Second Law . New York, NY: Oxford University Press, 1965. ISBN: 9780195008296.
- Callen, H. B. Thermodynamics . New York, NY: John Wiley & Sons, 1960. ISBN: 9780471130352.
- Denbigh, K. G. The Principles of Chemical Equilibrium . 4th ed. New York, NY: Cambridge University Press, 1981. ISBN: 9780521281508.
Sources
- Course catalogue ↗Historical OpenCourseWare
- MIT OpenCourseWare ↗Spring 2021
- MIT OCW readings ↗
- MIT OCW schedule ↗
- MIT OCW syllabus ↗
- MIT OpenCourseWare ↗Fall 2005
- MIT OCW readings ↗
- MIT OCW syllabus ↗
- MIT OCW calendar ↗
- Historical MIT OpenCourseWare offering. Named reading entries and schedule topics are automatically extracted from the linked source pages.
- Historical MIT OpenCourseWare offering. Named reading entries and schedule topics are automatically extracted from the linked source pages.
- Historical MIT OpenCourseWare offering. Named reading entries and schedule topics are automatically extracted from the linked source pages.