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1. CMU MRSEC
Outreach Activities
2. Experience with
CMSN Interfaces Project
• Microstructural Evolution
Based on Fundamental
Interfacial Properties
• Supported by DOE/BES,
Dale Koelling
• A. D. (Tony) Rollett, Alain
Karma, David Srolovitz, Mark
Asta
• Started in 1999, through
2006
Carnegie
Mellon
MRSEC
27-750, Advanced Characterization
and Microstructural Analysis:
Texture and its Effect on Anisotropic
Properties
Tony (A.D.) Rollett, Carnegie Mellon Univ.,
Peter Kalu, FAMU/FSU,
Spring 2006
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Advanced Characterization and
Microstructural Analysis Course
• Started by Brent Adams (now at BYU) and Hamid Garmestani (now at
GaTech) in 1999. Focused on specific, high level topics in microstructural
analysis; subsequently expanded to 4 credit-hours to address textureanisotropy relationships in general, and grain boundary analysis in particular.
• Since 2000, has been taught by Tony Rollett, internet broadcast to FAMU, in
collaboration with Garmestani and then Prof. Peter Kalu.
• 15-20 students each year, evenly divided between CMU and FAMU/FSU
• Lehigh and Drexel participated in 2001, Penn State & Pitt in 03, Drexel in 05;
occasional industrial participation
• Significant component of the collaborative research and education program
between the CMU MRSEC and the Materials program at FAMU/FSU
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Digital microscopy facility
Teaching with
digital aids
considerably
facilitated by
availability of
teaching area
dedicated to
digital
microscopy
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Objective, Lecture List
The objective of this course is to provide the tools to understand and
quantify various kinds of texture, especially interface texture, and to
solve problems that involve texture and anisotropy.
1. Introduction
2. X-ray diffraction
3. Calculation of ODs from pole
figure data, popLA
4. Texture components, Euler angles
5. Orientation distributions
6. Microscopy, SEM, electron
diffraction
7. Texture in bulk materials
8. EBSD/OIM
9. Misorientation at boundaries
10. Continuous functions for ODs
11. Stereology
12. Graphical representation of ODs
13. Symmetry (crystal, sample)
14. Euler angles, variants
15. Volume fractions, Fiber textures
16. Grain boundaries
17. Rodrigues vectors, quaternions
18. CSL boundaries
19. GB properties
20. 5-parameter descriptions of GBs
21. Herring’s relations
22. Elastic, plastic anisotropy
23. Taylor/Bishop-Hill model
24. Yield Surfaces
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Excerpts from:
The Iceman’s Axe:
Texture applied to Archaeometallurgy
Seminar at CMU, April 2005 by:
G. Artioli
Università degli Studi di Milano
Dipartimento di Scienze della Terra
[Department of Earth Sciences,
Milan University for Study]
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Ötzi ~ 3200 B.C.
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Iceman axe (Ötzi)
blade
body
Note the lack of texture
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Lovere LOV-330
By contrast with the Ötzi Iceman’s Axe, this axe was worked.
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Communications
• 1999-2000, we relied on existing videoconference facilities in
other departments, using special phone lines: very awkward!
• 2001-2, we used equipment provided by a CIRE grant via
FAMU/FSU and the internet. Have had to rely on FAMU/FSU
investment in multi-point servers for videoconferencing.
• 2003 onwards, we have used (at CMU) an off-the-shelf Polycom
unit; combined with the Digital Microscopy facility (and a
standard distance learning classroom at FAMU/FSU), this has
been adequate.
• 2007 onwards, we will have an AccessGrid node, which we
anticipate will give superior usability and multipoint capability.
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Teaching Styles
• In the 1st year, I attempted to use lecture notes and to sketch
out diagrams as needed (using the tablet) but this was very
unpopular.
• From the 2nd year onwards, I made up complete slides with full
technical content and posted all slides on a website.
• Interaction with students vital during lectures: they have to know
that they can easily interrupt.
• Parallel transmission of slides with NetMeeting extremely helpful
(gives full definition images).
• Blackboard has been useful for controlling access to information
(lecture notes, homeworks, grades); too busy, however, to get
involved in chat rooms to help, e.g., with homework.
• Student presentations work surprisingly well.
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Posting of Course Notes etc.
Posted course notes
turn out to be useful to
wide range of
researchers who lack
access to this
specialized topic
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CMSN/ Interfaces/ People
C. Battaile, S. Foiles, E. Holm, J. Hoyt (Sandia
National Laboratories)
C. Wolverton (Ford Research/ Northwestern U.)
J. Morris, B. Radhakrishnan (Oak Ridge National
Laboratory)
A. D. Rollett, D. Kinderlehrer (Carnegie Mellon
University)
D. J. Srolovitz (Yeshiva University)
V. Vitek (University of Pennsylvania)
M. Asta (UC Davis)
Y. Mishin (George Mason U.)
P. Voorhees, D. Seidman ( Northwestern
University)
A. Karma (Northeastern University)
R. Napolitano, R. Trivedi (Ames Laboratory)
James Warren, FiPy Group (NIST)
H. Weiland (Alcoa)
Y. Wang (Ohio State Univ.)
Solidification/ grain growth
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CMSN: Wide Ranging Scales
Issues Microstructural
Evolution, Properties
Liquid Metal
Processing
100 m
Rolling
Forging
Pressing
ANSYS, ABAQUS, …
Finite Element Models
Monte Carlo, Phase Field, Cellular Automata
10-3 m
Grains
Domains
Coarse Particles
10-6 m
Mesoscopic Models
NAMD, LAMMPS, …
Molecular Dynamics
Fine particles
Thin Films
VASP, CPMD, Qbox, …
10-9 m
Dislocations
Atoms
10-12 m
Electrons
AMBER, CHARMm, …
Ab-initio calculations
Increasing
time, size
GAMESS, Gaussian, NWChem, …
Quantum Chemistry
Materials
Properties
Potentials
Semi-Classical
MOPAC, AMPAC, …
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The Good, the not-so-good …
• Excellent scientific interaction, development of better
understanding of dendritic solidification, grain
boundary properties over all 5 degrees of freedom,
impact of anisotropic properties, solutes on interfaces
• Moderately good code development, sharing
• Integration of large array of codes is not well
developed
• Students, post-docs often not trained in code
development
• Projects not big enough to involve full-time individuals
with computer science training/education
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Recommendations
• [Education tools] More, faster! Higher definition video (HDTV?)
would allow for more (remote) presence of the instructor.
Smarter cameras to track instructor (Probably already available
but expensive?). Better audio would help, although local sound
systems often inadequate.
• Better arrangements for the instructor to see students at other
end while lecturing. [Will be learning how to use Access Grid].
• Many highly specialized topics are (or should be) employed in
Materials Science: it appears that it’s helpful to make teaching
materials available.
• Materials people should ask for CI resources: include suitably
trained individuals in projects.
• Version control!!! CVS?
• Materials research programs should include courses to train
students in CI-related topics.
• Visualization tools for microstructures are fairly primitive. Basic
tools (e.g. open source DX, Paraview) are good, but many
specialized modules needed.