Combined Research and Curriculum Development of Web Based

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 U V A G International Conference on Materials for Advanced Technologies 1 - 6 July 2001, Singapore Organized by the Materials Research Society

Presentation Overview n n n n n U V A G n n Putting the CRCD Project in Context CRCD Project Objectives New technologies used in NSF-CRCD curriculum development u Fully Immersive Virtual Environment: “CAVE ™” u Collaborative Design Environments: Desktop to CAVE Creating Shared Collaborative Virtual Environments Atom. View: Visualizing Nanostructure Simulation Results CCC_atom: Collaborative Atom. View DIVERSE: Physics Based Simulations - Collaboration Physics Based Simulation Collaboration w/o CAVE: NPIB CRCD Classes: ESM/MSE 4984 & EMS/MSE 5984 u Lectures & Modules: Nano-, Micro-, Macro- scale Observations & Conclusions Recommendations & Future Work

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

CRCD Project Objectives: • 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 U V A G

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

Advanced Communications & Information Technology Center (ACITC) VT-Collaboration on-campus (Connecting desktop computers to the CAVE was critical) U V A G University Visualization & Animation Group (UVAG)

What is a CAVE? U V A G

Viewer immersed In 3 D-structure. Gives viewer unique perspective to study 3 D structure - property relationships. U U V V A G

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/ U V A G

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

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

Recorder Awareness Participants U V A G Created voice command interface, but users preferred menus

Atom. View NCSA-VT: J. Shalf / R. Kriz With Atom. View material scientists can analyze and interpret physics based simulation results U V A G Physics based Simulation Models

U U V V A A G G

Two users in CCC_atom viewing a Large Ni-Al B 2 simulated structure. Atom. View Modes: • Scale Model • Scale Atoms • Navigate • Play animation CCC features not shown: • Shared views • Jump next to • Tether to • Record play U V A G

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

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

Desktop Physics-based simulation model of acoustic bottom bounce Desktop< -> I-Desk <-> CAVE I-Desk CAVE U V A G http: //www. sv. vt. edu/future/cave/resprj/navciiti/nuwc_task 2 -1/

Collaboration w/o CAVE 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 U V A G

Example: 3 D Wave Surface Working “Real-Time” Archive U V A G Submit

email notifies user simulation completed Results Viewed at Desktop U V A G Results. html Results Viewed In the CAVE

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

Nanoscale: n Lecture Topics: u u u n Atomistic 2 -Modules: u u U V A G Crystal bonding Crystal structures Crystal mechanical behavior Dislocations Fracture at Interfaces Ni-Al grain boundary crack Vacancy in Iron

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

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

CRCD Classes: ESM/MSE - 4984 & 5984 Bridging the length scales: nano-, micro-, macro-scale U V A G

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

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 NPIB 1. 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 U V A G

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 Sparc 10 Ultra Webserver 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. U V A G