MS 131 Structure and Bonding of Materials 1st term 2000-2001

Instructor: B. Fultz
rm 239 Keck, x 2170, btf@hyperfine.caltech.edu
Teaching assistant: Alan Yue
rm 233 Keck, alay@hyperfine.caltech.edu

Books:
1) You will need reference books on physical chemistry, quantum mechanics, and solid state physics. (McQuarrie's physical chemistry book and Kittel's solid state physics book are typical references)
2) D. Pettifor, Structure and Bonding in Solids, Oxford. Sutton?
3) J. Weertman and J. Weertman, Elementary Dislocation Theory, Oxford.

Grading:
1) Problem sets (30 %). Collaboration is allowed and encouraged. Problem sets received after the solution sets are distributed will count for 1/3 credit, but you may copy from the solution set.
2) Midterm examination (30 %). Probably 2 hour take-home.
3) Final examination (40 %). Probably 3 hour take-home.
4) pass-fail grading is possible

Syllabus: MS 131 Structure and Bonding of Materials

This syllabus is approximate, and is subject to change without notice.

I. Introduction

1) Overview: From Quantum Mechanics to Microstructure

II. Oriented towards Bonding

2) Quantum mechanics - overview
3) Quantum mechanics of free and confined electrons (states and heat capacity)
4) Simple metals - contact potentials, thermal and electrical conductivities
5) Quantum mechanics of atoms
6) Exchange energy
7) Molecular Orbital Theory - concept of the chemical bond
8) Covalency, ionicity, electronegativity
9) Molecular orbital shapes and notation
10) Bond energies and bond hardness - structural energy difference theorem
11) Madelung energy
12) Bloch states - metallic cohesion, Mott transition
13) d-bands in transition metals, DOS and ferromagnetism
14) Friedel model of cohesive energies
15) Group IV semiconductors - sp3 hybridization, Harrison's solid state table
16) Embedded Atom Method - vacancies, surfaces
17) Hume-Rothery Rules
(Moments of the density of states?)

III. Oriented towards Structure

18) Entropy of vacancies - configurational and vibrational
19) Vacancies in metals and non-metals
20) Dislocation structures and their qualitative behavior
21) Elasticity review
22, 23) Dislocation loops, bowing, shear, work hardening
24) Planar defects - low angle and high angle grain boundaries, domains
25, 26) Polymer structures - Disclinations in nematic liquid crystals
(Atom positions and autocorrelation functions?)

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