2021-22 Catalog

Experimental methods in transmission electron microscopy of inorganic materials including diffraction, spectroscopy, conventional imaging, high resolution imaging and sample preparation. Weekly laboratory exercises to complement material in MS 132. Not offered 2021-2022.

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 2021-2022.

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 2021-2022.

The relation of lattice defects to the physical and mechanical properties of crystalline solids. Introduction to point imperfections and their relationships to transport properties in metallic, covalent, and ionic crystals. Kroeger-Vink notation. Introduction to dislocations: geometric, crystallographic, elastic, and energetic properties of dislocations. Dislocation reactions and interactions including formation of locks, stacking faults, and surface effects. Relations between collective dislocation behavior and mechanical properties of crystals. Introduction to computer simulations of dislocations. Grain boundaries. The structure and properties of interfaces in solids. Emphasis on materials science aspects of role of defects in electrical, morphological, optical, and mechanical properties of solids. Not offered 2021-2022.

Review of Patterson function and memory function for space or time correlations. Van Hove function for correlated dynamics in space and time, especially for materials with thermal energy. Dynamical structure factors for coherent scattering from solids and liquids. Measurements of energy and momentum of dispersive excitations in crystals using neutrons, x-rays, and electrons. Additional topics to be selected from the following list: incoherent inelastic scattering and the thermodynamic partition function, transport of thermal energy, fluctuation-dissipation theorem, quasielastic scattering, sideband information in coherent inelastic scattering, transition from quantum to classical scattering. Not offered 2021-2022.

Analytical and experimental techniques in the study of fracture in metallic and nonmetallic solids. Mechanics of brittle and ductile fracture; connections between the continuum descriptions of fracture and micromechanisms. Discussion of elastic-plastic fracture analysis and fracture criteria. Special topics include fracture by cleavage, void growth, rate sensitivity, crack deflection and toughening mechanisms, as well as fracture of nontraditional materials. Fatigue crack growth and life prediction techniques will also be discussed. In addition, "dynamic" stress wave dominated, failure initiation growth and arrest phenomena will be covered. This will include traditional dynamic fracture considerations as well as discussions of failure by adiabatic shear localization. Not offered 2021-2022.

Multiscale view of materials and different approaches of introducing functionality; Electronic aspects and multiferroic materials; Symmetry breaking phase transformations, microstructure: shape-memory alloys, ferroelectrics, liquid crystal elastomers; Composite materials and metamaterials: multifunctional structures. Not offered 2021-2022.

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 2021-2022.

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 2021-22.