| Orientation: Research and Careers in Materials Science and Engineering |
| L1 |
Classical or Quantum: Electrons as Waves, Wave Mechanics |
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). |
Fundamental Concepts |
E&R: 1.1 and 1.2
Supplementary
Bent, The Second Law, pp. 1-5 |
| L2 |
Schrödinger's Equation and Discrete Energy States of a Confined Electron |
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.
Dill, D. "Analytic solution of the Schrödinger equation: Particle in a box." (PDF)
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. |
| L3 |
Free Electrons, Electrons in a Metal, and the Scanning Tunneling Microscope |
E&R: Study 15.1 and 15.2; Read 14.1-14.4. |
First Law of Thermodynamics |
E&R: 2.5, 2.6, 2.7, 2.9, and 3.1. |
| L4 |
Curiosity Killed the Cat: General Principles of Quantum Mechanics |
E&R: Study 15.3 (2-,3-dim box), 16.3 (?-electrons in conjugated molecules), and 16.5-6 (Scanning Tunnelling Microscope).
Supplementary
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. |
| L5 |
The Hydrogen Atom |
E&R: Study 14.1, 14.2, and 14.3; Read 14.4. |
Heat Storage and Release in Phase Transitions |
E&R: 2.8, 3.4, and 4.6. |
| L6 |
The Hydrogen Atom (cont.) |
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. |
Examples of Work Important in Materials Science and Engineering: Polarization, Magnetic, Chemical |
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. |
| Labs 1 |
3.014 Lab Week 1 |
| L7 |
Alphabet Soup: The Periodic Table |
E&R: Study 18.4, 18.5, and 20.1 to 20.5. |
Thermal Properties of Materials; Fundamental Equations |
E&R: 3.1 and 3.5. |
| L8 |
The Periodic Table (cont.) |
E&R: Study 21.5 and 21.6; Read: 17.2 (Stern-Gerlach). |
Fundamental Equations (cont.); Equilibrium and the Second Law |
E&R: Chapters 5.1-5.8.
Supplementary
Dill and Bromberg. "How to Design a Fundamental Equation." In Molecular Driving Forces. New York, NY: Routledge, 2003, pp. 153-155. ISBN: 9780815320517. |
| L9 |
The Variational Principle; Application to Hydrogen Atom |
E&R: Study 21.4, 23.1, 23.2, and 23.3. |
Free Energy; Applying the Second Law in Laboratory Conditions |
E&R: 6.1, 6.2, 6.3 (less important), and 6.4. |
|
Exam 1 |
| L10 |
Molecules from Atoms: Energy Minimization, Hybridization of Atomic Orbitals |
E&R: Study 21.4 and 23.3; Read 23.4, 24.1, and 24.2. |
Chemical Potentials and the Gibbs Free Energy |
E&R: 6.4. |
| L11 |
Bonding in Molecules: Hartree and Hartree-Fock Equations, Symmetries, Bond Order |
E&R: Study 25.2, 25.4, 24.4, and 24.6. |
Models of the Chemical Potential |
E&R: 6.3, 6.4, 6.5, 9.1, 9.2, and 9.5. |
| L12 |
Polymers Part 1: Diagonalization on a Basis, Huckel Model |
E&R: Study 24.2, 24.4-6; Read math supplement A.7 and A.8, working with determinants and working with matrices. |
Chemical Reaction Equilibria |
E&R: 6.7- 6.9, 6.11, 6.12, and 9.11-9.13. |
| L13 |
Quantum Oscillation |
E&R: Study 25.7 (Huckel Model), 18.1 (Quantum Oscillator); Read 18.6 (Classical Harmonic Oscillator). |
Electrochemical Equilibria |
E&R: 11.1-11.5, 11.8-11.9, and 11.11-11.13.
Supplementary
E&R: 11.14-11.15. |
| Labs 2 |
3.014 Lab Week 2 |
| L14 |
Point Groups and Bravais Lattices |
E&R: Study 25.7 (Huckel Model), 18.1 (Quantum Oscillator)Read 18.6 (Classical Harmonic Oscillator). |
Batteries; Thermodynamic Stability |
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. |
| L15 |
Symmetry Operations |
A&T: Study 3.1.1 - 3.1.4, 3.2.1, 3.2.4, and 3.2.5. |
Phase Changes and Phase Diagrams of Single-Component Materials |
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. |
| L16 |
Structure of Solids |
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). |
Single-Component Phase Diagrams (cont.); Thermodynamics of Solutions |
Gaskell. "The free energy of solution." Chapter 11.5 in Introduction to Metallurgical Thermodynamics. pp. 328-338
E&R: 9.6 and 9.7. |
| L17 |
X-ray Diffraction |
A&T: Study 3.2.2 up to p. 140, and 3.4. |
Free Energy of Multi-phase Solutions at Equilibrium |
E&R: 9.6 and 9.7. |
| L18 |
X-rays at Work: Laue Condition, Ewald Construction, Bragg's Law, Powder Diffraction |
Read: Notes by Prof. B. Wuensch (PDF - 4.3 MB)# (Courtesy of Prof. Wuensch. Used with permission.) |
Binary Phase Diagrams: Miscibility Gaps and Eutectics |
Lupis. "Binary Phase Diagrams." Chapter VII in Chemical Thermodynamics of Materials. pp. 204-219 |
|
Exam 2 |
| Labs 3 |
3.014 Lab Week 3 |
| L19 |
From Diffraction to Structure |
X-Ray Diffraction Theory (ChE 386K)
This University of Texas-Austin course Web site by Steve Swinnea at has many details (from Lec #19 on, note different 2? convention). |
Binary Phase Diagrams (cont.) |
Callister, W. D., Jr. "Phase Diagrams." Chapter 10S in Fundamentals of Materials Science and Engineering. pp. S67-S84. |
| L20 |
Symmetries and Tensors |
A&T: Study 3.3 (Symmetry Constraints)
Read all of Chapter 1. |
Spinodals and Binodals; Continuous Phase Transitions; Introduction to Statistical Mechanics |
E&R: 13.1 and 13.2.
Supplementary
Zallen. "The Glass Transition." Chapter 1.4 in The Physics of Amorphous Solids. pp. 16-23.
Review E&R Chapter 12 -Basic Probability Concepts. |
| L21 |
Non-crystalline Materials |
A&T: Study 3.3 (Symmetry Constraints)
Read all of Chapter 1. |
Connecting Events at the Atomic/Molecular Level to Macroscopic Thermodynamic Behavior: Two Postulates of Statistical Mechanics; Microscopic Definition of Entropy |
E&R: 31.1-31.4. |
| L22 |
Polymers Part 2 |
A&T: Study 2.1-2.3.1. |
Connecting Events at the Atomic/Molecular Level to Macroscopic Thermodynamic Behavior (cont.): The Boltzman Factor and Partition Function; Thermal Behavior of the Einstein Solid |
E&R: 31.5, 32.1-31.2, 33.1-33.3.
Supplementary
E&R: 33.4-33.5. |
| L23 |
Glasses |
A&T: Study 2.1-2.4.3. |
Lattice Models of Materials; Modeling Polymer Solutions |
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
E&R: 32.5-32.9 (Details of Rotational, Vibrational, and Electronic Partition Functions for Simple Molecules). |
| L24 |
Liquid Crystals |
A&T: Study 2.1-2.4 and 4.1-4.4.3. |
Flory-Huggins Theory |
Dill and Bromberg. "Polymer Solutions." Chapter 31, pp. 593-605. |
| Labs 4 |
3.014 Lab Week 4 |
|
Final Exam |