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

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International Conference onMaterials for Advanced Technologies

1 - 6 July 2001, SingaporeOrganized by the Materials Research Society

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 WorkU

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Presentation Overview

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)U

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University Initiatives; Sponsors; Industrial Participation

Putting CRCD Project in Context

• 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 levelU

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CRCD Project Objectives:

- 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)AtomViewCCC_atom DIVERSE

University Visualization and Animation Group of the

Advanced Communications & Information Technology Center

New technologies used in NSF-CRCD curriculum development:

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Advanced Communications &

Information Technology Center

(ACITC)

VT-Collaboration on-campus(Connecting desktop computers to the CAVE was critical)

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University Visualization &Animation Group (UVAG)

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What is a CAVE?

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Viewer immersed In 3D-structure. Gives viewer unique perspective to study

3D structure - property relationships.

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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/

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World-Wide CollaborationJason 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:

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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”

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Par

tici

pan

ts

Aw

aren

ess

Rec

ord

er Created voice command interface, but users preferred menus

AtomView

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NCSA-VT: J. Shalf / R. Kriz

With AtomView materialscientists can analyze and interpret physics based simulation results

Physics basedSimulation 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

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DIVERSE Applications:http://www.diverse.vt.eduPhysics Based Simulations Crane Ship 6-DOF

I-Dock 6-DOFHaptic Feedback

NUWC/NRL CONRAYUndersea Acoustic 3-DOF

Multi-parameter: Bottom Bounce

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Application of Visualization and Haptic Feedback to Enhance Molecular Docking

D. Bevan, BiochemistyL. Watson, Computer SciR. Kriz & S. Parikh, ESM

http://www.sv.vt.edu/future/cave/resprj/idock/idock.html

Beowulf ClusterFuture Simulations

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Physics-based simulation modelof acoustic bottom bounce

Desktop

CAVE

I-Desk

http://www.sv.vt.edu/future/cave/resprj/navciiti/nuwc_task2-1/

Desktop< -> I-Desk <-> CAVE

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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 applicationdevelopment tool that researchersand educators can use to create, maintain, and archive numerous parametric studies based on their legacy computer simulations

Collaboration w/o CAVE

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Example: 3D Wave Surface

Working “Real-Time” Archive

Submit

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Results.html

Results Viewed at Desktop

Results ViewedIn the CAVE

email notifies user simulation completed

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CRCD Classes: ESM/MSE - 4984 & 5984

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

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

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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

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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

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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

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CRCD Classes: ESM/MSE - 4984 & 5984

Bridging the length scales: nano-, micro-, macro-scale

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-scaleLouisiana State University

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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

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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.