1. CMU MRSEC Outreach Activities

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2. Experience with CMSN Interfaces Project
1. CMU MRSEC Outreach Activities
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
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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 texture-anisotropy 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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Course Objective

• Many courses deal with microstructure-properties
  relationships, so what is special about this
  course?!
• Despite the crystalline nature of most useful and
  interesting materials, crystal alignment and the
  associated anisotropy is ignored. Yet, most
  properties are sensitive to anisotropy.
  Therefore microstructure should include
  crystallographic orientation (texture).
• The objective of this course is to provide you
  with the tools to understand and quantify various
  kinds of texture and to solve problems that
  involve texture and anisotropy.

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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.
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. Herrings relations 22.
Elastic, plastic anisotropy 23.
Taylor/Bishop-Hill model 24. Yield Surfaces

• 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

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Excerpts fromThe Icemans AxeTexture 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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(No Transcript)
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Iceman axe (Ötzi)
Note the lack of texture
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Lovere LOV-330
By contrast with the Ötzi Icemans 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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Microstructural Evolution Based on Fundamental
Interfacial Properties a Computational
Materials Science Network Project
Supported by DOE/BES, Dale Koelling (pgm. mgr.)

• A. D. (Tony) Rollett, Alain Karma, David
  Srolovitz, Mark Asta others

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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
MicrostructuralEvolution, Properties
Issues
Liquid Metal
ANSYS, ABAQUS,
Processing
0
10
m
Finite Element Models
Rolling
Forging
Pressing
Monte Carlo, Phase Field, Cellular Automata
-3
10
m
Mesoscopic Models
Grains
Domains
Materials Properties
Coarse Particles
-6
NAMD, LAMMPS,
10
m
Molecular Dynamics
Fine particles
Thin Films
AMBER, CHARMm,
VASP, CPMD, Qbox,
-9
10
m
Dislocations
Potentials
Ab-initio calculations
Atoms
GAMESS, Gaussian, NWChem,
Semi-Classical
-12
10
m
Increasing time, size
Quantum Chemistry
Electrons
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
  its 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.