ࡱ> ceb[ &bjbj .DΐΐVV<<H%LqqqqLLL%H'H'H'H'H'H'H$PJL>%%ⰪCę/A"0HA00CC0D$<:5LLLKHKHLLLHoooo0MLLLLLLLLLV _: Crystallography and Diffraction Course Id: CHEM 18 (3 cr.) Prerequisites: Graduate Standing or permission of instructor Lecture/Lab: TBA Instructor: Tom Trainor Rm 176 Reichardt 474-5628  HYPERLINK "mailto:tptrainor@alaska.edu" tptrainor@alaska.edu Office Hours: TBA Course web page: TBA Course Goals: The goal of this course is to understand the structure of crystalline materials, and how to use X-ray scattering techniques to study materials structure and structural properties. At the conclusion of the course students will be able to utilize crystallographic reference materials and software to generate and examine crystal structures based on standard coordinates and symmetry group inputs, and be able to predict and interpret diffraction patterns based on materials structure properties. Students will also be comfortable with collection, processing and analysis of diffraction data based on hands on exercises. Course description: Material structure topics will include crystal lattices, space-group symmetry, projections, the reciprocal lattice, and crystal chemistry. Methods for investigating the structure of materials and identification of phase will be covered in depth, including: fundamentals of X-ray scattering, diffraction from single crystals, powder diffraction, (quantitative) phase analysis, Rietveld refinements, texture analysis, and reflectivity. Students will be trained in the use of modern X-ray diffraction instrumentation and analysis software. Applications and examples will be taken from numerous disciplines including materials chemistry, mineralogy, and engineering materials, with an emphasis on methods of data collection and analysis. Text V.K. Pecharsky and P.Y. Zavalij, Fundamentals of Powder Diffraction and Structural Characterization of Materials. 2nd Ed. 2009, Springer, New York. ISBN: 978-0-387-09578-3. Additional Sources: Warren B. E. (1969) X-Ray Diffraction. Addison-Wesley. IUCr International Tables for X-Ray Crystallography, Vol A, (2005) T Hahn, ed., Springer. James, R., W., (1965) The Optical Principles of the Diffraction of X-Rays. Cornell University Press, Ithaca. Als-Nielsen, J., McMorrow, D. (2001) Elements of Modern X-ray Physics. Wiley Sands, D. E. (1975) Introduction to Crystallography. Dover X-ray Data Booklet: http://xdb.lbl.gov/ Instructional Methods: Lecture Two lecture periods per week will be used to deliver the core materials. Focus will be on theory and background required for understanding the structure of crystalline materials, the use of x-ray diffraction instrumentation and interpretation of data. Lecture topics will be complimented by problem sets and tested via written exam. Laboratory Students will be given hands on training in the use of XRD instrumentation and analysis software. Assignments will build upon lecture topics using practical examples. Students will be expected to complete laboratory assignments working in groups. Class Projects Your class project will be focused on the solution of a materials problem using X-ray diffraction. The project should include background literature search, compilation of relevant crystallographic data, and the analysis of experimental data. The data sets may be provided by the instructor, or collected from specimens using the AIL X-ray diffraction laboratory. You will be required to submit a written report summarizing the results of the analysis (in manuscript format) and give a presentation to the class based on your topic. You will be requested to consult with the instructor early in the semester to decide on a project topic. For performing literature searches and managing your citations I encourage the use of SciFinder Scholar, GeoRef, Endnote and other tools. If you are unfamiliar with these see:  HYPERLINK "http://www.uaf.edu/chem/Viewlets/ChemLabHowTo.html" http://www.uaf.edu/chem/Viewlets/ChemLabHowTo.html and  HYPERLINK "http://uaflibrary.us/onlinedatabases/ui/" http://uaflibrary.us/onlinedatabases/ui/ Grading: For each assignment a numerical grade (0-100%) will be assigned. The final grades will computed based on the weighted sum of all assignments/exams using the following weighting scheme: Problem Sets/Labs 35% Midterm exam 20% Final Exam 20% Final Project 25% 100% Letter grades corresponding to numerical values will follow: A: 90-100 B: 80-89 C: 70-79 D: 60-69 F: < 60 Important Dates: Sept XX Deadline for late registration Sept XX Deadline for drop Oct XX - Deadline for withdrawal Computer Lab: Your enrollment in Chem 618 gives you user privileges in the department's computer lab. Information and policies are available at:  HYPERLINK "http://www.uaf.edu/chem/NewNetwork.html" http://www.uaf.edu/chem/NewNetwork.html Student with Documented Disabilities: Student with a physical or learning disability who may need academic accommodations, should contact the Disability Services office (203 WHIT, 474-7043). Disability Services will then notify the instructor of special arrangements for course work. Ethical Considerations: The Chemistry Department Policy on Cheating is: Any student caught cheating will be assigned a course grade of F. The student will not be allowed to drop the course. The 51 Honor Code states: Student will not collaborate on any quizzes, in-class exams, or take-home exams that will contribute to their grade in a course, unless permission is granted by the instructor of the course. Only those materials permitted by the instructor may be used to assist in quizzes and examinations. Student will not represent the work of others as their own. A student will attribute the source of information not original with himself or herself (direct quotes or paraphrase) in compositions, these and other reports. No work submitted for one course may be submitted for credit in another course without the explicit approval of both instructors. Violations of the Honor Code will result in a failing grade for the assignment and, ordinarily, for the course in which the violation occurred. Moreover, violation of the Honor Code may result in suspension or expulsion In this course students may collaborate on homework assignments, however, each individual should submit their own copy showing all their work. Exams and projects are to be completed independently. Topics I. Crystallography Crystal lattice and crystal structures Definition of a unit cell, unit cell contents Periodicity, lattice points and lattice vectors Crystallographic planes, directions and indices Reciprocal lattice Symmetry operations and symmetry elements Finite symmetry elements (point groups) Infinite symmetry elements (space groups) The International Tables, Volume A, Space Groups, and Structure Viewing Software II. Diffraction Properties and sources of radiation Geometrical treatment of diffraction by lattices Laue equations and Braggs Law Reciprocal lattice and Ewald sphere Powder vs single xtal XRD Derivation of the structure factor Scattering by electrons, atoms and lattices Fourier analysis Diffraction from imperfect crystals and powders (kinematic diffraction) Phase problem Patterson technique Direct methods III. Powder XRD Powder intensities and positions of diffraction peaks Integrated intensities Geometric factors Absorption Orientation Powder diffractometry Sample preparation Phase identification Phase quantification Unit cell refinement Structure determination/refinement (Rietveld) IV. Single crystal XRD and Materials Characterization Single crystal diffratometry (4-circle diffractometer) Crystal orientation / alignment Texture analysis Stress analysis V. 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