ITR/AP: Multiscale Models for Microstructure Simulation and Process - PowerPoint PPT Presentation

ITR/AP: Multiscale Models for Microstructure Simulation and Process Design Principal Invest igat ors: Principal Invest igat ors: Principal Invest igat ors: Bob Haber (Theor Theor . & Applied . & Applied Mechs Mechs.), .), Bob Haber ( Bob Haber (Theor. & Applied Mechs.), Jonat han Dant zig Dant zig ( (Mech Mech. & . & Ind Ind. . Engng Engng.), .), Jonat han Jonat han Dant zig (Mech. & Ind. Engng.), Duane Johnson (Mat l Mat l . S . S cience & Engng Engng.). .). Duane Johnson ( cience & Duane Johnson (Mat l. S cience & Engng.). Universit y of Illinois at Urbana Urbana– –Champaign Champaign Universit y of Illinois at Universit y of Illinois at Urbana– Champaign

Faculty Investigators Cont inuum science Cont inuum science Cont inuum science • Jonathan Dantzig Dantzig ( (Mech Mech. & . & Ind Ind. . Engrg Engrg.) .) • Jonathan • Jonathan Dantzig (Mech. & Ind. Engrg.) • Eliot Fried (Theor Theor. & . & Appl Appl. . Mechs Mechs.) .) • Eliot Fried ( • Eliot Fried (Theor. & Appl. Mechs.) • Robert Haber (Theor Theor. & . & Appl Appl. . Mechs Mechs.) .) • Robert Haber ( • Robert Haber (Theor. & Appl. Mechs.) • Daniel Tortorelli Tortorelli ( (Mech Mech. & . & Ind Ind. . Engrg Engrg.) .) • Daniel • Daniel Tortorelli (Mech. & Ind. Engrg.) Mat erials (at omist ic at omist ic) science ) science Mat erials ( Mat erials (at omist ic) science • Duane Johnson (Matl Matl. . S S ci. & . & Engnrg Engnrg.) .) • Duane Johnson ( ci • Duane Johnson (Matl. S ci. & Engnrg.)

Faculty Investigators Informat ion science Informat ion science Informat ion science • Jeff Erickson (Computer S S ci.) .) • Jeff Erickson (Computer ci • Jeff Erickson (Computer S ci.) • Michael Garland (Computer S S ci.) .) • Michael Garland (Computer ci • Michael Garland (Computer S ci.) • S anj ay Kale (Computer S S ci.) .) • S anj ay Kale (Computer ci • S anj ay Kale (Computer S ci.) • Herbert Edelsbrunner Edelsbrunner (Computer (Computer S S ci., ., Duke Duke) ) • Herbert ci • Herbert Edelsbrunner (Computer S ci., Duke) Mat hemat ics Mat hemat ics Mat hemat ics • Robert Jerrard Jerrard (Mathematics) (Mathematics) - - pde’ s pde’ s • Robert • Robert Jerrard (Mathematics) - pde’ s • John S ullivan (Mathematics) - - geometry geometry • John S ullivan (Mathematics) • John S ullivan (Mathematics) - geometry • Martin Bendsøe Bendsøe (Mathematics, (Mathematics, Danish Tech. U. Danish Tech. U. ) ) • Martin • Martin Bendsøe (Mathematics, Danish Tech. U.) - topology opt. topology opt. - - topology opt.

A joint effort betw een tw o centers Mat erials Comput at ion Cent er Mat erials Comput at ion Cent er Mat erials Comput at ion Cent er • Atomistic models models • Atomistic • Atomistic models • Prediction of bulk properties • Prediction of bulk properties • Prediction of bulk properties Cent er for Process S imulat ion & Design Cent er for Process S imulat ion & Design Cent er for Process S imulat ion & Design • Manufacturing processes • Manufacturing processes • Manufacturing processes • Continuum models • Continuum models • Continuum models • S imulation and optimization of microstructure • S imulation and optimization of microstructure • S imulation and optimization of microstructure properties in manufacturing processes properties in manufacturing processes properties in manufacturing processes • S uccessful experience with interdisciplinary • S uccessful experience with interdisciplinary • S uccessful experience with interdisciplinary collaborations collaborations collaborations

CPSD Funding History Alcoa (1996 Alcoa (1996 - - 2000) 2000) Alcoa (1996 - 2000) • • $20k/ $20k/ yr yr seed grant seed grant • $20k/ yr seed grant NS NS F GOALIE grant wit h Alcoa (1997- F GOALIE grant wit h Alcoa (1997 -2001) 2001) NS F GOALIE grant wit h Alcoa (1997-2001) • $120k / year NS F; $20k / year Alcoa • $120k / year NS F; $20k / year Alcoa • $120k / year NS F; $20k / year Alcoa NS NS F- F -DARPA OPAAL grant (1998 DARPA OPAAL grant (1998- -2001) 2001) NS F-DARPA OPAAL grant (1998-2001) • Math directorates • Math directorates • Math directorates • • ~$800,000 / year over 3 years ~$800,000 / year over 3 years • ~$800,000 / year over 3 years NS NS F ITR grant (2001- F ITR grant (2001 -2006) 2006) NS F ITR grant (2001-2006) • Division of Materials Research, • Division of Materials Research, • Division of Materials Research, • • Computer and Informat ion S Computer and Informat ion S cience Engineering cience Engineering • Computer and Informat ion S cience Engineering • • ~$800,000 / year over 5 years ~$800,000 / year over 5 years • ~$800,000 / year over 5 years

CPSD/MCC Mission I: Manufacturing Science Improve product qualit y t hrough cont rol of Improve product qualit y t hrough cont rol of Improve product qualit y t hrough cont rol of microst ruct ure microst ruct ure microst ruct ure S imulat ion t ools t o predict microst ruct ure S imulat ion t ools t o predict microst ruct ure S imulat ion t ools t o predict microst ruct ure evolut ion during processing evolut ion during processing evolut ion during processing • Basic science (atomic to micro scale studies) • Basic science (atomic to micro scale studies) • Basic science (atomic to micro scale studies) • Applied science (micro - - macro scale process simulations) macro scale process simulations) • Applied science (micro • Applied science (micro - macro scale process simulations) Opt imizat ion t ools f or process design Opt imizat ion t ools f or process design Opt imizat ion t ools f or process design • Use multi- -scale process simulations scale process simulations • Use multi • Use multi-scale process simulations • S ensitivity analysis, optimization of process parameters • S ensitivity analysis, optimization of process parameters • S ensitivity analysis, optimization of process parameters – Tool shapes, process rat es, alloy chemist ry, quench, ... – Tool shapes, process rat es, alloy chemist ry, quench, ... – Tool shapes, process rat es, alloy chemist ry, quench, ...

CPSD/MCC Mission II: Computational Methods Develop new comput at ional t echniques t o support Develop new comput at ional t echniques t o support Develop new comput at ional t echniques t o support manufact uring science mission manufact uring science mission manufact uring science mission Common requirement s and responses Common requirement s and responses Common requirement s and responses • • Multi- Multi -scale physics + optimization = large scale problems scale physics + optimization = large scale problems • Multi-scale physics + optimization = large scale problems – – Parallel comput at ion, adapt ive analysis, mult igrid mult igrid – Parallel comput at ion, adapt ive analysis, mult igrid Parallel comput at ion, adapt ive analysis, • Difficult geometry: • Difficult geometry: • Difficult geometry: – – complex shapes, moving boundaries, variable connect ivit y, complex shapes, moving boundaries, variable connect ivit y, – complex shapes, moving boundaries, variable connect ivit y, – – Meshing, phase- -field, ALE, field, ALE, spacet ime spacet ime met hods, “ skin” met hods, “ skin” – Meshing, phase-field, ALE, spacet ime met hods, “ skin” Meshing, phase • Embedded physical models • Embedded physical models • Embedded physical models – – Direct : discont inuous Galerkin Galerkin, quant um , quant um- -cont inuum cont inuum Direct : discont inuous – Direct : discont inuous Galerkin, quant um-cont inuum – – Linked hierarchical models: homogenizat ion, et c. Linked hierarchical models: homogenizat ion, et c. – Linked hierarchical models: homogenizat ion, et c.

Dendritic Solidification • Jonathan Dantzig Dantzig, faculty lead , faculty lead • Jonathan • Jonathan Dantzig, faculty lead • Controls grain size and morphology in casting • Controls grain size and morphology in casting • Controls grain size and morphology in casting Scaling with undercooling, Anisotropy due to grain size convective flow Dantzig (M&IE), (M&IE), Goldenfeld Goldenfeld (Physics), Kale (CS (Physics), Kale (CS ) Dantzig )

Modeling Dendritic Grow th Microst ruct ure evolut ion wit h f low Microst ruct ure evolut ion wit h f low Microst ruct ure evolut ion wit h f low • Length scales: nm nm – – mm mm • Length scales: • Length scales: nm – mm • • Phase- Phase -field method for microstructure field method for microstructure • Phase-field method for microstructure • Parallel, adaptive, Navier Navier- -S S tokes solver • Parallel, adaptive, tokes solver • Parallel, adaptive, Navier-S tokes solver QuickTime™ and a GIF decompressor are needed to see this picture. Dantzig (M&IE), (M&IE), Goldenfeld Goldenfeld (Physics), Kale (CS (Physics), Kale (CS ) Dantzig )