2018-19 Catalog

Diffraction contrast analysis of crystalline defects. Phase contrast imaging. Physical optics approach to dynamical electron diffraction and imaging. Microbeam methods for diffraction and imaging. Chemical analysis by energy dispersive X-ray spectrometry and electron energy loss spectrometry. Not offered 2018-2019.

Applications of X-ray and neutron diffraction methods to the structural characterization of materials. Emphasis is on the analysis of polycrystalline materials but some discussion of single crystal methods is also presented. Techniques include quantitative phase analysis, crystalline size measurement, lattice parameter refinement, internal stress measurement, quantification of preferred orientation (texture) in materials, Rietveld refinement, and determination of structural features from small angle scattering. Homework assignments will focus on analysis of diffraction data. Samples of interest to students for their thesis research may be examined where appropriate. Not offered 2018-2019.

The mechanical response of brittle materials (ceramics, glasses and some network polymers) will be treated using classical elasticity, energy criteria, and fracture mechanics. The influence of environment and microstructure on mechanical behavior will be explored. Transformation toughened systems, large-grain crack-bridging systems, nanostructured ceramics, porous ceramics, anomolous glasses, and the role of residual stresses will be highlighted. Strength, flaw statistics and reliability will be discussed. Not offered 2018-2019.

The course will cover first-principles computational methods to study electronic structure, lattice vibrations, optical properties, and charge and heat transport in materials. Topics include: Theory and practice of Density Functional Theory (DFT) and the total-energy pseudopotential method. DFT calculations of total energy, structure, defects, charge density, bandstructures, density of states, ferroelectricity and magnetism. Lattice vibrations using the finite-difference supercell and Density Functional Perturbation Theory (DFPT) methods. Electron-electron interactions, screening, and the GW method. GW bandstructure calculations. Optical properties, excitons, and the GW-Bethe Salpeter equation method. Ab initio Boltzmann transport equation (BTE) for electrons and phonons. Computations of heat and charge transport within the BTE framework. If time permits, selected advanced topics will be covered, including methods to treat vander Waals bonds, spin-orbit coupling, correlated materials, and quantum dynamics. Several laboratories will give students direct experience with running first-principles calculations. Not offered 2018-2019.

The course gives a broad overview of micromechanics, emphasizing the microstructure of materials, its connection to molecular structure, and its consequences on macroscopic properties. Topics include phase transformations in crystalline solids, including martensitic, ferroelectric, and diffusional phase transformations, twinning and domain patterns, active materials; effective properties of composites and polycrystals, linear and nonlinear homogenization; defects, including dislocations, surface steps, and domain walls; thin films, asymptotic methods, morphological instabilities, self-organization; selected applications to microactuation, thin-film processing, composite materials, mechanical properties, and materials design. Open to undergraduates with instructor's permission. Not offered 2018-19.