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1. CMU MRSEC Outreach Activities

CarnegieMellon

MRSEC

2. Experience with CMSN Interfaces Project

• • Microstructural Microstructural Evolution Based on Evolution Based on Fundamental Interfacial Fundamental Interfacial PropertiesProperties• • Supported by DOE/BES, Supported by DOE/BES, Dale Koelling Dale Koelling • • A. D. (Tony) Rollett, Alain A. D. (Tony) Rollett, Alain Karma, David Srolovitz, Karma, David Srolovitz, Mark Mark AstaAsta • • Started in 1999, through Started in 1999, through 20062006

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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Objective, Lecture List

1. Introduction2. X-ray diffraction3. Calculation of ODs from pole

figure data, popLA4. Texture components, Euler angles5. Orientation distributions6. Microscopy, SEM, electron

diffraction7. Texture in bulk materials8. EBSD/OIM9. Misorientation at boundaries10. Continuous functions for ODs11. Stereology

12. Graphical representation of ODs 13. Symmetry (crystal, sample)14. Euler angles, variants15. Volume fractions, Fiber textures16. Grain boundaries17. Rodrigues vectors, quaternions18. CSL boundaries19. GB properties20. 5-parameter descriptions of GBs21. Herring’s relations22. Elastic, plastic anisotropy23. Taylor/Bishop-Hill model24. Yield Surfaces

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.

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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 MilanoDipartimento 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

Coarse Particles

Ab-initio calculations

Molecular Dynamics

Mesoscopic Models

Finite Element Models

Increasing time, size

Potentials

MaterialsProperties

Issues

10-9 m

10-6 m

10-3 m

100 m

10-12 m

RollingForgingPressing

GrainsDomains

Fine particles

Thin Films

DislocationsAtoms

Liquid MetalProcessing

Electrons Quantum ChemistrySemi-ClassicalGAMESS, Gaussian, NWChem, …

AMBER, CHARMm, …

MOPAC, AMPAC, …

ANSYS, ABAQUS, …

VASP, CPMD, Qbox, …

NAMD, LAMMPS, …

Monte Carlo, Phase Field, Cellular Automata

MicrostructuralMicrostructuralEvolution, PropertiesEvolution, Properties

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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.