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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.
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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 Combined Research and Curriculum Development of Web Based Educational Modules on Mechanical Behavior of Materials International Conference on Materials for Advanced Technologies 1 - 6 July 2001, Singapore Organized by the Materials Research Society U V A G
Putting the CRCD Project in Context CRCD Project Objectives New technologies used in NSF-CRCD curriculum development Fully Immersive Virtual Environment: “CAVE ™” Collaborative Design Environments: Desktop to CAVE Creating Shared Collaborative Virtual Environments AtomView: Visualizing Nanostructure Simulation Results CCC_atom: Collaborative AtomView DIVERSE: Physics Based Simulations - Collaboration Physics Based Simulation Collaboration w/o CAVE: NPIB CRCD Classes: ESM/MSE4984 & EMS/MSE5984 Lectures & Modules: Nano-, Micro-, Macro- scale Observations & Conclusions Recommendations & Future Work Presentation Overview U V A G
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) Navy Collaborative Integrated Information Technology Initiative: Collaborative Virtual Environments for C&C(ONR BAA 00-007) Putting CRCD Project in Context University Initiatives; Sponsors; Industrial Participation U V A G
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) Network Programming Interface Builder (NPIB) CAVE Collaborative Console (CCC) AtomView CCC_atom DIVERSE U V A G
Advanced Communications & Information Technology Center (ACITC) VT-Collaboration on-campus (Connecting desktop computers to the CAVE was critical) University Visualization & Animation Group (UVAG) U V A G
What is a CAVE? U V A G
Viewer immersed In 3D-structure. Gives viewer unique perspective to study 3D structure - property relationships. U V A G U 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
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” U V A G
Participants Awareness U V A G Created voice command interface, but users preferred menus Recorder
AtomView NCSA-VT: J. Shalf / R. Kriz With AtomView material scientists can analyze and interpret physics based simulation results U V A G Physics based Simulation Models
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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 U V A G
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 U V A G
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 U V A G 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_task2-1/
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: 3D 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
Nano-scale: Lecture Topics: Crystal bonding Crystal structures Crystal mechanical behavior Dislocations Fracture Fracture at Interfaces Atomistic 2-Modules: Ni-Al grain boundary crack Vacancy in Iron CRCD Classes: ESM/MSE - 4984 & 5984 Micro-scale: • Lecture Topics: • Interface cracks • Anisotropy • Laminates • Free-Edge problem • Interface singularities • Ply crack singularities • Cracks homogenous: isotropic-anisotropic • Wave propagation: Isotropic-Anisotropic • Microscale 21-Modules: • Anisotropic polar plots • Cijkl Tensor glyphs • Laminated plate analysis • Fem of Free-Edge • Woven & Nonwoven • FEM with & w/o ply crack • 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 Macro-scale: • Lecture Topics: • 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: • Stresses thick walled cylinders • Brittle-Ductile transition U V A G
Nanoscale: Lecture Topics: Crystal bonding Crystal structures Crystal mechanical behavior Dislocations Fracture Fracture at Interfaces Atomistic 2-Modules: Ni-Al grain boundary crack Vacancy in Iron U V A G
CRCD Classes: ESM/MSE - 4984 & 5984 Microscale: • Lecture Topics: • Interface cracks • Anisotropy • Laminates • Free-Edge problem • Interface singularities • Ply crack singularities • Cracks homogenous: Isotropic-Anisotropic • Wave propagation: Isotropic-Anisotropic • Microscale 21-Modules: • Anisotropic polar plots • Cijkl Tensor glyphs • Laminated plate analysis • FEM of Free-Edge • Woven & Nonwoven • FEM with & w/o ply crack • 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 V A G
CRCD Classes: ESM/MSE - 4984 & 5984 Macrooscale: • Lecture Topics: • 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: • Stresses thick walled cylinders • Brittle-Ductile transition U V A G
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 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 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 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. U V A G