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Multiscale Modeling: An Overview

Dr. Mark Horstemeyer CAVS Chair Professor ASME Fellow Mississippi State University mfhorst@me.msstate.edu 662.325.5449. Multiscale Modeling: An Overview. Outline. Modeling Philosophy Overview MSU Internal State Variable Plasticity-Damage Model (MSU DMG 1.0) Theory

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Multiscale Modeling: An Overview

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  1. Dr. Mark HorstemeyerCAVS Chair ProfessorASME FellowMississippi State Universitymfhorst@me.msstate.edu662.325.5449 Multiscale Modeling: An Overview

  2. Outline • Modeling Philosophy Overview • MSU Internal State Variable Plasticity-Damage Model (MSU DMG 1.0) Theory • Horstemeyer, M.F., Lathrop, J., Gokhale, A.M., and Dighe, M., “Modeling Stress State Dependent Damage Evolution in a Cast Al-Si-Mg Aluminum Alloy,” Theoretical and Applied Fracture Mechanics, Vol. 33, pp. 31-47, 2000 • Bammann, D. J., Chiesa, M. L., Horstemeyer, M. F., Weingarten, L. I., "Failure in Ductile Materials Using Finite Element Methods," Structural Crashworthiness and Failure, eds. T. Wierzbicki and N. Jones, Elsevier Applied Science, The Universities Press (Belfast) Ltd, 1993. • Image Analysis Tool 1.0 User’s Tutorial • DMGfit 1.0 User’s Tutorial • MSU MultiStage Fatigue Model (MSU MSF 1.0) Theory • McDowell, D.L., Gall, K., Horstemeyer, M.F., and Fan, J., “Microstructure-Based Fatigue Modeling of Cast A356-T6 Alloy,” Engineering Fracture Mechanics, Vol. 70, pp.49-80, 2003. • MSFfit 1.0 User’s Tutorial • MSU ISV Thermoplastic Model (MSU TP 1.0) Theory • J.L. Bouvard, D.K. Ward, D. Hossain, E.B. Marin, D.J. Bammann, and M.F. Horstemeyer, “A General Inelastic Internal State Variable Model for Amorphous Glassy Polymers,” submitted to ActaMechanica • TPfit 1.0 User’s Tutorial

  3. Computational Manufacturing and Design Mission: We couple multidisciplinary research of solid mechanics, materials, physics, and applied mathematics in three synergistic areas: theoretical modeling, experimentation, and large scale parallel computational simulation to optimize design and manufacturing processes.

  4. ISV ISV ISV 100-500µm Crystal Plasticity(ISV + FEA) 10-100 µm µm Multiscale Modeling Bridge 12 = FEA Bridge 11 = FEA Macroscale ISV Continuum Macroscale ISV Continuum Void \ Crack Interactions Bridge 10 =Void \ Crack Growth CrystalPlasticity(ISV + FEA) Bridge 5 = Particle-Void Interactions Bridge 9 =Void \ Crack Nucleation Bridge 4 = Particle Interactions Bridge 8 =Dislocation Motion Crystal Plasticity(ISV + FEA) Bridge 7 =High Rate Mechanisms Bridge 3 = Hardening Rules DislocationDynamics (Micro-3D) 100’s Nm Bridge 2 = Mobility Bridge 6 =Elastic Moduli Nm Atomistics(EAM,MEAM,MD,MS, Bridge 1 = Interfacial Energy, Elasticity ElectronicsPrinciples (DFT) Å

  5. Multiscale Experiments 1. Exploratory exps 2. Model correlation exps 3. Model validation exps Structural Scale Experiments FEM Nanoscale Macroscale Continuum Model Cyclic Plasticity Damage Model Cohesive Energy Critical Stress Experiment Uniaxial/torsion Notch Tensile Fatigue Crack Growth Cyclic Plasticity Analysis Fracture Interface Debonding Experiment TEM FEM Analysis Torsion/Comp Tension Monotonic/Cyclic Microscale ISV Model Void Nucleation Mesoscale Experiment SEM Optical methods IVS Model Void Growth Void/Void Coalescence Void/Particle Coalescence ISV Model Void Growth Void/Crack Nucleation Experiment Fracture of Silicon Growth of Holes FEM Analysis Idealized Geometry Realistic Geometry Fem Analysis Idealized Geometry Realistic RVE Geometry Monotonic/Cyclic Loads Crystal Plasticity

  6. Analysis Design Options Product & Process Performance (strength, reliability, weight, cost, manufactur-ability ) Optimal Product Process Multiscales Product (material, shape, topology) Design Objective & Constraints Model Experiment Process(method, settings, tooling) FEM Analysis Preference & Risk Attitude Cost Analysis ISV Design Optimization Optimization under Uncertainty Environment (loads, boundary conditions)

  7. CyberInfrastructure IT technologies (hidden from the engineer) Conceptual design process (user-friendly interfaces) Engineering tools (CAD, CAE, etc.)

  8. GM CADILLAC CONTROL ARM LIGHTWEIGHT DESIGN (2000) Region 3 Region 1 (a) B C D initial failure site E model A Standard FEA Stress (from highest to lowest) D A C E B Inclusion (from most severe to less severe) B E A D C Damage (from most severe to less severe) A D E C B (b) experiment Objective:To employ multiscale material modeling to reduce the weight of components Truth! Wrong! Result:To optimize a redesign such that 25% weight saved 50% increase in load-bearing capacity 100% increase in fatigue life $2 less per part

  9. GM Corvette Cradle Magnesium Design (2005) System Subsystem Component Internal State Variable Plasticity-Damage Simulation Structures Pore size Nearest Neighbor Distance Dendrite Cell Size Porosity Boundary Conditions Panic brake Pothole strike Forces Moments

  10. Cradle Load-to-Failure Simulation Results E D C B A F Modern FEA answer True answer Modern Materials Science answer

  11. Powder Metal FC0205 Steel (2008) Compaction, Sintering, and Performance model experiment failure predicted by damage model under performance with distribution of initial porosity maximum von Mises Stress Note: standard FEA would have given the wrong location

  12. I – Compaction Modeling (Validation) Main Bearing Cap – Green Density Distribution- after Springback (g/cc) 15 13 1 2 3 12 16 17 14 18 8 7 9 6 10 5 15 13 19 20 4 11 1 2 3 16 14 12 17 18 8 7 6 9 10 5 19 20 4 11 FEA Model Geometry and Material Solution imported from ABAQUS/ Explicit to ABAQUS/Standard for Elastic Springback Analysis Experiment X-ray CT Volume grows 0.6% after springback density 2D X-Ray CT FEA 205Q Experiment Immersion and Image Analysis Densities by Zone Density (g/cc) +7.05 +7.00 +6.95 +6.90 +6.85 +6.80 +6.75 Density Immersion +6.70 +6.65 +6.60 +6.55 +6.50 +6.45 Image Analysis +6.40

  13. Cyberinfrastructure Design Framework FEA simulation Experimental data MSF FEA outputs Validation Input deck Design objectives/ requirements Boundary conditions/ loading FEA setup Optimization Geometry Mesh CAD Material Post- processing directives Material properties repository Material models and constants Model calibration Compute platform settings

  14. MSU Multiscale Modeling • Vision: In 5-10 years, we are internationally recognized as the premiere material modeling group in world for our validated and verified research and production models • Mission: systemize our multiscale modeling capability so that the cyberinfrastructure easily admits each different aspect of the modeling characteristics (codes, materials info, mechanical properties tests, multiscale models, etc)

  15. Modeling History and Overview • Started in thermonuclear weapons design at Sandia (no underground systems level testing) • Populate the space of systems levels with simulations (simulation based design and multiscale modeling to get correct physics) • Used for many different metal alloys in materials processing and life-performance analysis • Tech transfer to Navy, Army, and automotive applications • Notion of history modeling with internal state variables

  16. FEA Simulations and Timeline Using Internal State Variable Model • Early 1980’s: steel alloys for weapon laydown event (highlight: front cover of Science) plasticity, damage, and fracture • Mid 1980’s-1990’s: forging process: rex • Late 1980’s: analysis of various components: plasticity and failure • Early 1990’s: Navy submarines lethality, welding • Mid 1990’s: forming, extrusion, heat treatment • Late 1990’s: automotive castings • Early 2000’s: everything automotive • Mid 2000’s: Army vehicle component designs • Late 2000’s: polymers and powder metals

  17. Metals Modeled by Macroscale DMG ISV Plasticity-Damage Model 1.0 • Steel Alloys (15) • A286, AF, C1008, S7tool, 1020, 10b22, 4140, 4340, 210SS, 304LSS, 319SS, HY80, HY100, HY130, FC0205 • Aluminum Alloys(16) • 1100, 2024T0, 2024T35, 2024T4, 5083, 5086, 6061T0, 6022, 6050, 6061T0, 6061T6, 7039, 7075T0, 7075T6, A319, A356 • Magnesium Alloys (7) • AM20, AM30, AM50, AM60, AZ31, AZ91, AE44 • Titanium Alloys (4) • Ti7Al4Mo, Ti8Al1Mo1V, Ti0Al6V4, Ti6Al6V2Sn • Uranium Alloys (2) • D38, D380075Ti • Nickel (2) • 99.99% pure, In718 • Brass (1) • 99% pure 70 metal alloys to date!

  18. MSU CAVS CMD Material Modeling Philosophy Classical Modeling Paradigm MSU CAVS Modeling Paradigm . . . . . . . . . Phenomena 3=Model 1+few additional constants Phenomena N=Model N Phenomena 1=Model 1 Phenomena 2=Model 2 Phenomena 3=Model 3 Phenomena N=Model 1 Phenomena 2=Model 1+few additional constants Phenomena 1=Model 1 Note: with each new model, many more constants are introduced with the new model Note: with every new phenomena the model moves back to a general abstraction so if the new constants are zero the original model results

  19. Example of Philosophies with Creep and Plasticity Classical Modeling Paradigm MSU CAVS Modeling Paradigm . . . . . . . . . Damage=Garafalo+dislISVs+Damage ISVs Phenomena N=Model N Creep=Nabarro-Herring Model Damage=Johnson-Cook Phenomena N=Model 1 Plasticity=Ramberg-Osgood Plasticity=Garafalo + dislocation density ISVs Creep=Garafalo flow rule Note: with each new model, many more constants are introduced with the added new model Note: with every new phenomena the model moves back to a general abstraction so if the new constants are zero the original model results

  20. Macroscale Research and Production Models Note 1: Production models/codes must have a documented citable journal article for each version of the code a. makes impact factor greater b. makes it easier for next graduate student to add incremental improvements Note 2: Production models/codes must build on the previous work a. helps systemize and synergize our efforts in terms of research and funding b. clears up confusion to outsider customers and industry c. helps user base Note 3: Production models/codes must have a theoretical and user’s manual a. absolute necessity for new graduate students and new user’s b. helps the broad usage of the model over time c. this alone may lead the greatest impact over time Note 4: Only a Production model/code can go into the cyberinfrastructure

  21. Journal ArticleHistory and MSU CAVS R&D Modeling Plan Bammann (1990) temperature and strain rate dependent unified-creep plasticity model (Bammann Model) Bammann et al. (1993) applications of Bammann model with damage (no formal name) BCJ (1995) formalization of model (really mod of 1993 paper: BCJ) Horstemeyer et al. (2000) microstructure with damage (DMG model) Research Production EMMI MSU CAVS DMG ISV Model 1.0 Version 1.1 Elastic mod damage (Allison) Recrystallization/grain growth V&V ? Coalescence (Allison, Oglesby) Version 1.2 Add more materials with quantifying the structure-property relations Pressure Dep yield (Hammi) Version 1.3 Anisotropic Damage (Solanki) Version 1.4

  22. MSU CAVS R&D Modeling Plan (cont) Production Research MSU CAVS DMG ISV Model 1.0 Version 1.5 Hardening change (Bammann) High rate Stress state Dep (Tucker) Version 1.6 Subscale studies V&V Version 1.7 Plastic spin (Najafi) Twinning (Oppedal, Bammann, Horstemeyer, Marin) Version 1.8 Version 2.0 (new set of constants required for all materials) EMMI

  23. MSU CAVS R&D Modeling Plan (cont) Production Research MSU CAVS ND DMG ISV Model 2.0 Version 2.1 PPT morphology (El Kadiri) Nonlocal damage (Solanki) Version 2.2 Subscale studies Phase Transform (LWang) V&V Version 2.3 Solidification (Felicelli, LWang) New name??

  24. Validation and Verification (V&V) Research FE Codes Tahoe Ramaswamy code (nonlocal damage, implicit) Winters code (coupled thermomechanical) ABAQUS model Fitting algorithm (Carino) Production FE Codes ABAQUS LS Dyna ESI Pamcrash ESI Pamstamp MD Nastran Model implementation Model verification

  25. MetalsModeled by MultiStage Fatigue Model 1.0 • Steel Alloys (3) • 4140, 319SS, FC0205 • Aluminum Alloys(5) • 2024T0, 7075T6, A319, A356, A380 • Magnesium Alloys (7) • AM30, AM50, AM60, AZ31, AZ61, AZ91, AE44 15 metal alloys to date! Polymers Modeled by MultiStage Fatigue Model 1.0 • Polyurethane (2) • Pure, carbonnanotube polyurethane • Elastomer (2) • SBR, track rubber • Polycarbonate (1)

  26. Journal ArticleHistory and MSU CAVS R&D Modeling Plan McDowell et al (2003) microstructure-sensitive MultiStage Fatigue (MSF) Xue et al (2007) grain size and texture effects Jordon et al (2008) nearest neighbor distance and elastic moduli effect on porosity Research Production MSU CAVS MSF Model 1.0 Version 1.1 Polymers (Bouvard, Brown) V&V Add more materials with quantifying the structure-property relations Corrosion (???) Version 1.2 Symptotic Expansions ISVs(???) Version 1.3 Thermo mechanical (???) Version 1.4

  27. Polymers Modeled by Macroscale ISV ViscoElastic-ViscoPlasticity-Damage Model 1.0 • Polycarbonate(1) • Polypropylene (1) • Polyurethane (1) • ABS • Elastomer (3-Santoprene, natural rubber, SBR) • Nylon(4) • Nylon 6.6, Nylon 4.4, E-glass+Nylon, S-glass+Nylon • Kevlar • Brain • Liver • Tendon • Placenta 12 polymers to date!

  28. Journal ArticleHistory and ISV Polymer Modeling Plan Bammann (1990) temperature and strain rate dependent unified-creep plasticity model Bammann et al. (1993) applications of Bammann model with damage BCJ (1995) formalization of model Horstemeyer et al. (2000) microstructure with damage Research Production Boyce-Arruda Anand MSU CAVS Poly DMG ISV Model 1.0 Version 1.1 V&V viscoelasticity (Prabhu) ? rubbers (Brown) Version 1.2 Add more materials with quantifying the structure-property relations nanocomposites (Lacy, Shi, Zhang, Pittman, Toghiani) Version 1.3

  29. Model calibration tools development Tool & Status THaupt/CCG CMD Theoreticians DMG ImageAnalyzer MSF BB->VEP EMMI PQplot MSC Piecewise lines->DSR DMG UMAT+Uncertainty DMG VUMAT+Nucleation data VPSC MSF+amplitude loading (Fung->Biomaterial?) Dislocation ANN GUI ImageStitcher RPTpostprocessor Web service Model evaluation routine (Fortran, MATLAB) F e e d b a c k RLCarino Computational backend for model (MATLAB) Web-based Users PC-based Stand-alone executable Production codes

  30. Model code, Providers, Users (various), S.Agnew, Y.Guo (various) yhammi, bjordon, paul, adrian jeanluc, jef83 jcrapps (USAMP-PM?) (USAMP-PM?) sponder kns3 kns3 aoppedal (NGC?) ? osama, (haitham’s student) (axue’s student) DMG ImageAnalyzer MSF BB->VEP EMMI PQplot MSC Piecewise curves->DSR DMG UMAT+Uncertainty DMG VUMAT+Nucl. data VPSC MSF+amplitude loading (Fung->Biomaterial?) Dislocation ANN GUI ImageStitcher RPTpostprocessor mfhorst tnw7 mfhorst, bjordan jeanluc ebmarin yhammi yhammi (jeanluc) kns3 kns3 aoppedal, haitham Mfhorst,bjordan (lwilliams) ElKadiri (bjordon) (axue) Production codes

  31. Computational Manufacturing and Design Mission: We couple multidisciplinary research of solid mechanics, materials, physics, and applied mathematics in three synergistic areas: theoretical modeling, experimentation, and large scale parallel computational simulation to optimize design and manufacturing processes.

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