1. Combined Research and Curriculum Development of Web Based Educational Modules on Mechanical Behavior of Materials R. Kriz*, D. Farkas**, R. Batra*, R. Levensalor***, and S. Parikh* University Visualization and Animation Group (UVAG) Virginia Polytechnic Institute and State University * Engineering Science and Mechanics ** Materials Science and Engineering *** Computer Science UVAGUVAG International Conference on Materials for Advanced Technologies 1 - 6 July 2001, Singapore Organized by the Materials Research Society

2. n Putting the CRCD Project in Context n CRCD Project Objectives New technologies used in NSF-CRCD curriculum development u Fully Immersive Virtual Environment: “CAVE ™”  Collaborative Design Environments: Desktop to CAVE n Creating Shared Collaborative Virtual Environments n AtomView: Visualizing Nanostructure Simulation Results n CCC_atom: Collaborative AtomView n DIVERSE: Physics Based Simulations - Collaboration n Physics Based Simulation Collaboration w/o CAVE: NPIB n CRCD Classes: ESM/MSE4984 & EMS/MSE5984 u Lectures & Modules: Nano-, Micro-, Macro- scale n Observations & Conclusions n Recommendations & Future Work UVAGUVAG Presentation Overview

3. n University Visualization and Animation Group of the Advanced Communications & Information Technology Center n Academic Research Infrastructure: Acquisition of a CAVE: Breaking Research and Education Barriers by Developing 3-D Visualization Technology (NSF Grant CISE-9601874) n Combined Research and Curriculum Development:Computer Simulation of Material Behavior - From the Atomistic to the Continuum Level (NSF Grant EED-9700815) n Enabling Technologies - Data and Collaboration Team: Human Computer Interaction and Visualization (NSF PACI) n “Scientific Modeling and Visualization Classroom” (Visual Numerics, Inc. & Sun Microsystems, Inc., Foundation Grant) n Navy Collaborative Integrated Information Technology Initiative: Collaborative Virtual Environments for C&C (ONR BAA 00-007) UVAGUVAG University Initiatives; Sponsors; Industrial Participation Putting CRCD Project in Context

4. Develop modules for teaching senior and graduate level courses on “Computer Simulation of Mechanical Behavior of Materials” Develop Java Web-based interactive modules Visual Numeric’s PV-Wave and JWave, (http://www.vni.com) VT’s Network Programming Interface Builder (NPIB) (http://www.jwave.vt.edu/npib) Teach basics of mechanical behavior using research simulation code Students learn how macroscopic properties are controlled by phenomena at the atomistic and microstructural levels Advanced visualization techniques, i.e. the “CAVE”, are used to convey structure-property relationships at a fundamental level UVAGUVAG CRCD Project Objectives:

5. - Fully Immersive Virtual Environment: “CAVE ™” (NSF CISE: 9601874) http://www.cave.vt.edu - Collaborative Design Environments: (NSF & ONR) Network Programming Interface Builder (NPIB) CAVE Collaborative Console (CCC) AtomView CCC_atom DIVERSE University Visualization and Animation Group of the Advanced Communications & Information Technology Center New technologies used in NSF-CRCD curriculum development: UVAGUVAG

6. Advanced Communications & Information Technology Center (ACITC) VT-Collaboration on-campus (Connecting desktop computers to the CAVE was critical) UVAGUVAG University Visualization & Animation Group (UVAG )

7. UVAGUVAG What is a CAVE?

8. UVAGUVAG Viewer immersed In 3D-structure. Gives viewer unique perspective to study 3D structure - property relationships. UVAGUVAG

9. UVAGUVAG Shared Virtual Environments (Connecting desktop computers to the CAVE was critical) CAVERNsoft - Limbo: CAVE Collaborative Console (CCC) http://www.sv.vt.edu/future/cave/software/ccc/

10. UVAGUVAG World-Wide Collaboration Jason Leigh & Andrew Johnson Electronic Visualization Lab, UIC Argonne National Lab IHPC, Singapore CRCACS, Australian NU IML, Tokyo Univ. CCPO, Old Dominion Unv. NCSA, UIUC UVAG, Virginia Tech Northwestern Univ. Remote Participants:

11. UVAGUVAG I hear you. You hear me. But where are you and what are you looking at? Collaborative Awareness Tools Kevin Curry Class Project, 1998: Computer- Supported Cooperative Work M.S. Thesis, 1999: “Supporting Collaborative Awareness in Tele-Immersion”

12. UVAGUVAG Participants Awareness Recorder Created voice command interface, but users preferred menus

13. AtomView UVAGUVAG NCSA-VT: J. Shalf / R. Kriz With AtomView material scientists can analyze and interpret physics based simulation results Physics based Simulation Models

14. UVAGUVAG UVAGUVAG

15. UVAGUVAG Two users in CCC_atom viewing a Large Ni-Al B2 simulated structure. AtomView Modes: Scale Model Scale Atoms Navigate Play animation CCC features not shown: Shared views Jump next to Tether to Record play

16. UVAGUVAG DIVERSE Applications: http://www.diverse.vt.edu Physics Based Simulations Crane Ship 6-DOF I-Dock 6-DOF Haptic Feedback NUWC/NRL CONRAY Undersea Acoustic 3-DOF Multi-parameter: Bottom Bounce

17. UVAGUVAG Application of Visualization and Haptic Feedback to Enhance Molecular Docking D. Bevan, Biochemisty L. Watson, Computer Sci R. Kriz & S. Parikh, ESM http://www.sv.vt.edu/future/cave/resprj/idock/idock.html Beowulf Cluster Future Simulations

18. UVAGUVAG Physics-based simulation model of acoustic bottom bounce Desktop CAVE I-Desk http://www.sv.vt.edu/future/cave/resprj/navciiti/nuwc_task2-1/ Desktop I-Desk CAVE

19. UVAGUVAG Combined Research Curriculum Development http://www.jwave.vt.edu/crcd Network Programming Interface Builder (NPIB) http://www.jwave.vt.edu/npib/ NPIB is a rapid application development tool that researchers and educators can use to create, maintain, and archive numerous parametric studies based on their legacy computer simulations Collaboration w/o CAVE

20. UVAGUVAG Example: 3D Wave Surface Working “Real-Time” Archive Submit

21. UVAGUVAG Results.html Results Viewed at Desktop Results Viewed In the CAVE email notifies user simulation completed

22. UVAGUVAG CRCD Classes: ESM/MSE - 4984 & 5984 Nano-scale: Lecture Topics: u Crystal bonding u Crystal structures u Crystal mechanical behavior u Dislocations u Fracture u Fracture at Interfaces n Atomistic 2-Modules: u Ni-Al grain boundary crack u Vacancy in Iron Micro-scale: Lecture Topics: u Interface cracks u Anisotropy u Laminates u Free-Edge problem u Interface singularities u Ply crack singularities u Cracks homogenous: isotropic-anisotropic u Wave propagation: Isotropic-Anisotropic n Microscale 21-Modules: u Anisotropic polar plots u C ijkl Tensor glyphs u Laminated plate analysis u Fem of Free-Edge F Woven & Nonwoven u FEM with & w/o ply crack F Woven & Nonwoven u Stroh’s solution Free-Edge u Stroh’s solution Ply-Crack u Singular FEM Mode-I&II u FEM circular hole u Wave propagation 1-D / 2-D Macro-scale: Lecture Topics: u Stress u Equilibrium u Strain u Material characterization u Boundary conditions u Work External Forces u Minimum Potential Energy u Uniqueness Theorem u Axial bar deformation u Beam bending terminal couples n Continuum 2-Modules: u Stresses thick walled cylinders u Brittle-Ductile transition

23. UVAGUVAG Nanoscale: Lecture Topics: u Crystal bonding u Crystal structures u Crystal mechanical behavior u Dislocations u Fracture u Fracture at Interfaces n Atomistic 2-Modules: u Ni-Al grain boundary crack u Vacancy in Iron

24. UVAGUVAG CRCD Classes: ESM/MSE - 4984 & 5984 Microscale: Lecture Topics: u Interface cracks u Anisotropy u Laminates u Free-Edge problem u Interface singularities u Ply crack singularities u Cracks homogenous: Isotropic-Anisotropic u Wave propagation: Isotropic-Anisotropic n Microscale 21-Modules: u Anisotropic polar plots u C ijkl Tensor glyphs u Laminated plate analysis u FEM of Free-Edge F Woven & Nonwoven u FEM with & w/o ply crack F Woven & Nonwoven u Stroh’s solution Free-Edge u Stroh’s solution Ply-Crack u Singular FEM Mode-I&II u FEM circular hole u Wave propagation 1-D / 2-D

25. UVAGUVAG CRCD Classes: ESM/MSE - 4984 & 5984 Macrooscale: Lecture Topics: u Stress u Equilibrium u Strain u Material characterization u Boundary Conditions u Work External Forces u Minimum Potential Energy u Uniqueness Theorem u Axial bar deformation u Beam bending terminal couples n Continuum 2-Modules: u Stresses thick walled cylinders u Brittle-Ductile transition

26. UVAGUVAG CRCD Classes: ESM/MSE - 4984 & 5984 Bridging the length scales: nano-, micro-, macro-scale

27. Computing in Science & Engineering, “Multiscale Simulation of Nanosystems”, A. Nakano, et al., pp 56-66, July/August 2001 Bridging the length scales: nano-, micro-, macro-scale Louisiana State University UVAGUVAG

28. UVAGUVAG Observations & Conclusions We have finished building over 25 educational modules on mechanical behavior spanning the length scale from nano to macro and taught an undergraduate and graduate class on “Computer Simulation on Mechanical Behavior of Materials” A well documented User’s Guide on NPIB1.6 can now be used by other educators and researchers to create their own modules or improve on existing modules Virtual and collaborative design environments have been at best working prototypes that are too difficult to use by the engineering design community Easier to use API’s are needed so that scientists and engineers can build their own applications based on physics and content

29. UVAGUVAG Recommendations & Future Work Because of delays in constructing the ACITC the two CRCD classes did not fully utilize the SMVC or CAVE technologies. These classes will be taught again with full access to facilities and improved collaborative desktop to CAVE software. Continue to improve on existing modules on crack propagation that demonstrate bridging the length scale from nano to macro. These and other CRCD modules will be used in other ESM and MSE classes designed for distance learning off-campus. Move the CRCD Web-site from the existing Sparc10 Ultra Web- server to the SGI Origin 2000 desk-side Web-server and link NPIB simulation models to VT’s Sun E-65000, Beowulf Cluster 200 CPUs, and the new College of Engineering SGI 3400 rack.