Syllabus,  MSCI/PHYS 535,  Spring 2009          revised 1/2/09

Crystallography and Diffraction – Study of crystals by x-ray, electron and neutron diffraction. Includes basic diffraction theory as well as methods for characterizing the structure, composition and stresses in crystalline materials.

This course is required for MSCI undergrads and may also be appropriate for students in CHEM, CENG, PHYS, ELEC & GEOL.  For biology students, BIOS 535 may be more appropriate.  See link below.

  • Instructor: Peter Loos on campus: ME 215, x3698, ploos@YouKnowWhere home: 281-710-4164 mobile: 281-250-4998
  • Class Schedule: Tue+Thu, 1:00-2:15pm, Location: ML 254
  • Prerequisites: MSCI 301 used to be recommended in the Rice catalog.  If you haven't taken it, this may not be a problem, especially if one reviews the appropriate chapter in the MSCI 301 text (William F. Smith, Foundations of Materials Science and Engineering).  A good understanding of geometry and trigonometry is essential.  Simple differentiation, integration and complex arithmetic are also used.
  • Text: Elements of X-ray Diffraction, 3rd ed. by Cullity & Stock.  Available from the Rice Campus Store, rice.bncollege.com, bn.com, amazon.com, www.campusbooks4less.com, directtextbook.com, bestbookbuys.com, etc.  Costs about $120 new.  Used copies are available too.  The 2nd edition of this book can also be used, along with a cross-reference list.  3rd edition has more errata than 2nd edition.  See errata list.  Copies of both editions are on reserve at Fondren library.  Ask for them at the circulation desk, number QC482 .D5 C87 .
  • Grading: 45% homework, 45% tests, 10% quizzes.  There will be approximately three tests, three quizzes and eleven homework assignments.   Points may be deducted for assignments turned in late.
  • Software: CaRIne software is used to display crystal structure models and the corresponding reciprocal lattices, powder diffraction patterns, etc.  PowderCell has many of the same features and is available free.  See item below under Resources on the Web.
  • Lab: MSCI 537, required for MSCI undergrads, open to everyone. Hopefully will meet Tue. or Thur. 2:30-5:00pm. Location: Space Science basement room B-06, in the SEA X-ray Scattering Facility. See syllabus www.owlnet.rice.edu/~msci535/537Syllabus2009.htm.
  • Students’ Evaluations:  2004 Course, 2005 Course, 2005 Instructor, 2006 Course, 2006 Instructor, 2008 Course, 2008 Instructor.

Lectures & Topics

1

Introduction.

2

Production, discovery & applications of cathode rays & x-rays.

1

Properties of x-rays. Emission, absorption, detection & safety precautions.

2

Crystal lattices and their symmetry. Space groups.

2

The reciprocal lattice and stereographic projection.

2

Diffraction, constructive & destructive interference, Bragg's Law. Experimental methods for single & polycrystalline samples, effect of crystallite size (thickness) per Scherrer’s eqn.

2

Scattering of x-rays by electrons, atoms and unit cells.

3

Structure factor for various crystals, other factors affecting intensity of diffracted beams, application to powder diffraction.

1

Use of CaRIne or PowderCell software. Use of intensity ratios to determine volume fractions of phases present.

3

Indexing of diffraction patterns and determination of crystal structure. Precise determination of lattice parameters.

2

Determination of phase diagrams. Ordered and disordered alloys.

1

Measurement of micro-strain and residual macro-stress. Separation of line broadening due to micro-strain and crystallite size.

2

Comparison of x-ray, electron & neutron diffraction methods; scattering factors for electrons; Ewald construction in reciprocal space.

2

Selected area diffraction (SAD) on the transmission electron microscope (TEM), indexing of SAD patterns.

1

Small angle x-ray scattering (SAXS)

1

Quasicrystals, discovered in 1984.

Optional Supplemental Reading

X-Ray Diffraction by B.E. Warren, Dover 1990 (Addison-Wesley, 1969) $17 ...rigorous graduate-level text, detailed mathematical theory, includes thermal vibration effects, order-disorder phenomena, crystal imperfections, structure of amorphous materials, and diffraction of x-rays in perfect crystals.  On reserve at Fondren library.

Fundamentals of Crystallography by Giacovazzo, Monaco, Viterbo, Giacovazzo & Scordari, Oxford U. Press, 1992 $34 ...advanced graduate level text from IUCr, includes crystal symmetry, computational methods, physics of diffraction, instrumentation & methods, ionic and molecular crystals, protein crystallography, etc.

Introduction to Diffraction in Materials Science and Engineering by A. D. Krawitz.  A well-written book, intended as a one-semester introduction, on a level comparable to our text, but with more emphasis on neutron diffraction and little concerning electron diffraction.  On reserve at Fondren library.

Solid State Physics by Ashcroft & Mermin (Holt Rinehart Winston, 1976). See chapters 4,5,6,7,19,20 and Appendices F & N.

Metals Handbook 9th ed. by ASM Handbook Committee, Volume 10, Materials Characterization See: "X-Ray Spectrometry" p. 82, "X-Ray Powder Diffraction" p. 333, "Single Crystal X-Ray Diffraction" p. 344, "Neutron Diffraction" p. 420, "Analytical Transmission Electron Microscopy" p. 429

Metals Handbook 8th ed. by ASM Handbook Committee, Volume 8, Metallography, Structures and Phase Diagrams. See: "Crystal Structure" p. 233-250, "Ordered Structures" p. 205-206, "Textured Structures" p. 229-232. ... The Metals Handbook is a great resource for all practicing crystallographers, materials scientists, metallurgists, and ceramicists.

The Basics of Crystallography and Diffraction by C. Hammond, Oxford. Univ. Press and Int. Union of Crystallography, 1997 $72 (paperback) ...a good introductory undergraduate-level text which avoids much of the intricate mathematical theory.

Introduction to Crystallography by Donald E. Sands. Another nice $12 paperback from Dover. Includes two chapters on the theory and methods of x-ray diffraction.

Quasicrystals: A Primer 2nd Ed. by C. Janot, Oxford Univ. Press. $55

The Annual Book of ASTM Standards. 77 volumes containing about 12,000 "standards" documents relating to the production, testing, and performance of countless materials of commercial importance. For details see http://www.astm.org/ or Annual Book of Standards or Standards Search. Fondren has the entire set on microfilm and your instructor has nine volumes in paperback.  About 20 or so ASTM standards involve XRD, everything from instrument alignment to measurement of stress, particle size, composition and orientation.  See list at H&M Analytical.

 

Resources On the Web

NOTICE

Any student with a disability requiring accommodations in this course is encouraged to contact me after class or during office hours. Additionally, students will need to contact Disability Support Services in the Ley Student Center.