Simulation-Assisted Design and Accelerated Insertion of Materials

Chapter

Abstract

Significant advances have been realized in accelerating the insertion of new and improved materials into products within the compressed timeframe of design and prototyping using the emerging computational materials science modeling and systems-based information management and materials design strategies. Recent initiatives in the USA to strengthen the link between materials modeling and simulation, process route, and structure–property relations are discussed, with emphasis on the Accelerated Insertion of Materials (AIM) strategy, tools, and methods. The recent emphasis on Integrated Computational Materials Engineering (ICME), an emergent branch of AIM that is built upon integrating modeling and simulation with product development, is discussed in terms of its common ground with the notion of concurrent design of materials and products– materials design. Materials design includes multiscale modeling of hierarchical materials as an important component, but is much broader in scope. This distinction between materials design and multiscale modeling is considered in some detail, with emphasis on top-down requirements on material structure and performance to meet product requirements. Uncertainty is a ubiquitous aspect of materials design, regardless of whether design decisions are informed by experimental measurements, modeling, and simulation or other heuristics. Some emerging concepts for robust design of materials are briefly described, and challenges for the synthesis of modeling and simulation and materials design are outlined.

Keywords

AIM ICME Materials design Modeling and simulation Multiscale modeling Top-down design 

Notes

Acknowledgments

The coauthors are grateful for funding that supported their collaboration in the DARPA AIM program (Dr. Leo Christodoulou, monitor). DLM also wishes to acknowledge support from the DARPA Synthetic Multifunctional Materials Program (Dr. Leo Christodoulou, monitor), the Center for Computational Materials Design (CCMD), a NSF I/UCRC jointly founded by Penn State and Georgia Tech (DLM Co-Director), http://www.ccmd.psu.edu/, as well as support from DARPA/P&W Prognosis (Dr. Leo Christodoulou, DARPA and Dr. Robert Grelotti, P&W, monitors), and ONR D3D tools programs (Dr. Julie Christodoulou, government prime, with Drs.G.B. Olson and H. Jou at QuesTek as monitors). Dr. McDowell especially wishes to thank his many Georgia Tech colleagues (Systems Realization Laboratory faculty Professors F. Mistree and J.K. Allen, and former co-advised graduate students in materials design C.C. Seepersad, H.-J. Choi, and J.H. Panchal) for collaborating to develop first generation robust materials design concepts such as Type III robust design and IDEM reviewed in this chapter.

References

  1. Adams BL, Gao X (2004) 2-point microstructure archetypes for improved elastic properties. J.Comput. Aided Mater. Des. 11(2–3):85–101.CrossRefGoogle Scholar
  2. Adams BL, Lyon M, Henrie B (2004) Microstructures by design: linear problems in elastic-plastic design. Int. J. Plast. 20(8–9):1577–1602.MATHCrossRefGoogle Scholar
  3. Apelian D (2004) Accelerating technology transition. In: National Research Council Report. National Academies Press, WashingtonDC.Google Scholar
  4. Arsenlis A, Parks DM (1999) Crystallographic aspects of geometrically-necessary and statistically-stored dislocation density. Acta Mater. 47(5):1597–1611.CrossRefGoogle Scholar
  5. Arsenlis A, Parks DM (2002) Modeling the evolution of crystallographic dislocation density in crystal plasticity. J. Mech. Phys. Solids 50:1979–2009.MATHCrossRefGoogle Scholar
  6. Ashby MF (1999) Materials Selection in Mechanical Design. 2nd Edition, Butterworth-Heinemann, Oxford,UK.Google Scholar
  7. Backman D, Dutton R (2006) Integrated materials modeling for aerospace components. Symp. on the Role of Computational Methods in Materials Research and Development: Applications of Materials Modeling and Simulation, MS&T ‘06, Cincinnati, OH, Oct.18.Google Scholar
  8. Billinge SJE, Rajan K, Sinnot SB (2006) From Cyberinfrastructure to Cyberdiscovery in Materials Science: Enhancing Outcomes in Materials Research, Education and Outreach. Report of NSF-sponsored workshop held in Arlington, VA, Aug. 3–5, http://www.mcc.uiuc.edu/nsf/ciw_2006/. Accessed 8 December2009.
  9. Broderick S, Suh C, Nowers J, Vogel B, Mallapragada S, Narasimhan B, Rajan K (2008) Informatics for combinatorial materials science. JOM 60(3):56–59.CrossRefGoogle Scholar
  10. Bulatov VV (2002) Current developments and trends in dislocation dynamics. J. Comput. Aided Mater. Des. 9(2):133–144.CrossRefMathSciNetGoogle Scholar
  11. Bulatov VV, Tang MJ, Zbib HM (2001) Crystal plasticity from dislocation dynamics. MRS Bull. 26(3):191–195.Google Scholar
  12. Butler GC, McDowell DL (1998) Polycrystal constraint and grain subdivision. Int. J. Plast. 14:703–717.MATHCrossRefGoogle Scholar
  13. Capolungo L, Spearot DE, Cherkaoui M, McDowell DL, Qu J, Jacob K (2007) Dislocation nucleation from bicrystal interfaces and grain boundary ledges: relationship to nanocrystalline deformation. J. Mech. Phys. Solids 55(11):2300–2327.MATHCrossRefGoogle Scholar
  14. Chen W (1995) A robust concept exploration method for configuring complex systems, Ph.D.Dissertation, G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta,GA.Google Scholar
  15. Choi H-J (2005) A robust design method for model and propagated uncertainty, Ph.D.Dissertation, G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta,GA.Google Scholar
  16. Choi H-J, Austin R, Shepherd K, Allen JK, McDowell DL, Mistree F, Benson DJ (2005) An approach for robust design of reactive powder metal mixtures based on non-deterministic micro-scale shock simulation J. Comput. Aided Mater. Des.12(1):57–85.CrossRefGoogle Scholar
  17. Choi H-J, McDowell DL, Allen JK, Mistree F. (2008a) An inductive design exploration method for hierarchical systems design under uncertainty. Eng. Optim. 40(4):287–307.CrossRefGoogle Scholar
  18. Choi H-J, McDowell DL, Allen JK, Rosen D, Mistree F (2008b) An inductive design exploration method for robust multiscale materials design. J. Mech. Des. 130(3):031402–1–13.Google Scholar
  19. Christodoulou J (2009) Dynamic 3-dimensional digital structure: a program review. JOM 61(10):21.CrossRefGoogle Scholar
  20. Fan J, McDowell DL, Horstemeyer MF, Gall K (2003) Cyclic plasticity at pores and inclusions in cast Al-Si alloys. Eng. Fract. Mech.70(10):1281–1302.CrossRefGoogle Scholar
  21. Gall K, Horstemeyer MF, McDowell DL, Fan J (2000) Finite element analysis of the stress distributions near damaged Si particle clusters in cast Al-Si alloys. Mech. Mater. 32(5):277–301.CrossRefGoogle Scholar
  22. Gall K, Horstemeyer MF, Degner BW, McDowell DL, Fan J (2001) On the driving force for fatigue crack formation from inclusions and voids in a cast A356 aluminum alloy. Int. J. Fract. 108:207–233.CrossRefGoogle Scholar
  23. Ghosh S, Bai J, Raghavan P (2007) Concurrent multi-level model for damage evolution in microstructurally debonding composites. Mech. Mater. 39(3):241–266.CrossRefGoogle Scholar
  24. Gumbsch P (1995) An atomistic study of brittle fracture: toward explicit failure criteria from atomistic modeling. J. Mater. Res. 10:2897–2907.CrossRefGoogle Scholar
  25. Hao S, Moran B, Liu WK, Olson GB (2003) A hierarchical multi-physics model for design of high toughness steels. J. Comput. Aided Des. 10:99–142.CrossRefGoogle Scholar
  26. Hao S, Liu WK, Moran B, Vernerey F, Olson GB (2004) Multi-scale constitutive model and computational framework for the design of ultra-high strength, high toughness steels. Comput. Methods Appl. Mech. Eng. 193:1865–1908.MATHCrossRefGoogle Scholar
  27. Horstemeyer MF, McDowell DL (1998) Modeling effects of dislocation substructure in polycrystal elastoviscoplasticity. Mech. Mater. 27:145–163.CrossRefGoogle Scholar
  28. Hughes DA, Liu Q, Chrzan DC, Hansen N (1997) Scaling of microstructural parameters: misorientations of deformation induced boundaries. Acta. Mater. 45(1):105–112.CrossRefGoogle Scholar
  29. Isukapalli SS, Roy A, Georgopoulos PG (1998) Stochastic response surface methods (SRSMs) for uncertainty propagation: application to environmental and biological systems. Risk Analysis 18(3):351–363.CrossRefGoogle Scholar
  30. Kalidindi SR, Houskamp J, Proust G, Duvvuru H (2005) Microstructure sensitive design with first order homogenization theories and finite element codes. Mater. Sci. Forum 495–497:23–29.CrossRefGoogle Scholar
  31. Kalidindi SR, Houskamp JR, Lyon M, Adams BL (2004) Microstructure sensitive design of an orthotropic plate subjected to tensile load. Int. J. Plast. 20(8–9):1561–1575.MATHCrossRefGoogle Scholar
  32. Knezevic M, Kalidindi SR, Mishra RK (2008) Delineation of first-order closures for plastic properties requiring explicit consideration of strain hardening and crystallographic texture evolution. Int. J. Plast. 24(2):327–342.CrossRefGoogle Scholar
  33. Kouznetsova V, Geers MGD, Brekelmans WAM (2002) Multi-scale constitutive modelling of heterogeneous materials with a gradient-enhanced computational homogenization scheme. Int. J. Numer. Methods Eng. 54(8):1235–1260.MATHCrossRefGoogle Scholar
  34. Kouznetsova VG, Geers MGD, Brekelmans WAM (2004) Multi-scale second-order computational homogenization of multi-phase materials: a nested finite element solution strategy. Comput. Methods Appl. Mech. Eng. 193(48–51):5525–5550.MATHCrossRefGoogle Scholar
  35. Kuhlmann-Wilsdorf D (1989) Theory of plastic deformation: properties of low energy dislocation structures Mater. Sci. Eng. A 113:1–41.CrossRefGoogle Scholar
  36. Larsson R, Diebels S (2007) A second-order homogenization procedure for multi-scale analysis based on micropolar kinematics. Int. J. Numer. Methods Eng. 69:2485–2512.MATHCrossRefMathSciNetGoogle Scholar
  37. Leffers T (1994) Lattice rotations during plastic deformation with grain subdivision. Mater. Sci. Forum 157–162:1815–1820.CrossRefGoogle Scholar
  38. Lyon M, Adams BL, (2004) Gradient-based non-linear microstructure design. J. Mech. Phys. Solids 52(11):2569–2586.MATHCrossRefMathSciNetGoogle Scholar
  39. McDowell DL (2001) Materials design: a useful research focus for inelastic behavior of structural metals. Special Issue of Theoretical and Applied Fracture Mechanics, Prospects of Mesomechanics in the 21st Century: Current Thinking on Multiscale Mechanics Problems, (eds. G.C.Sih, V.E. Panin) 37:245–259.Google Scholar
  40. McDowell DL (2007) Simulation-assisted materials design for the concurrent design of materials and products. JOM 59(9):21–25.CrossRefGoogle Scholar
  41. McDowell DL (2008) Viscoplasticity of heterogeneous metallic materials. Mater. Sci. Eng. R.Rep.62(3):67–123.CrossRefGoogle Scholar
  42. McDowell DL, Olson GB (2008) Concurrent design of hierarchical materials and structures. Sci. Model. Simul. (CMNS) 15(1): 207–240.Google Scholar
  43. McDowell DL, Story TL (1998) New directions in materials design science and engineering, Report of NSF DMR-sponsored workshop held in Atlanta, GA, Oct.19–21.Google Scholar
  44. McDowell DL, Gall K, Horstemeyer MF, Fan J (2003) Microstructure-based fatigue modeling of cast A356-T6 alloy. Eng. Fract. Mech.70:49–80.CrossRefGoogle Scholar
  45. McDowell DL, Choi H-J, Panchal J, Austin R, Allen JK, Mistree F (2007) Plasticity-related microstructure-property relations for materials design. Key Eng. Mater. 340–341:21–30.CrossRefGoogle Scholar
  46. McVeigh C, Vernerey F, Liu WK, Brinson LC (2006) Multiresolution analysis for material design Comput. Methods Appl. Mech. Eng. 195:5053–5076.MATHCrossRefMathSciNetGoogle Scholar
  47. Messer M, Panchal JH, Allen JK, McDowell DL, Mistree F (2007) A function-based approach for integrated design of material and product concepts. DETC2007–35743, Proceedings of IDETC/CIE 2007, ASME 2007 International Design Engineering Technical Conferences & Design Automation Conference, Las Vegas, NV, Sept.4–7.Google Scholar
  48. Mistree F, Hughes OF, Bras BA (1992) The compromise decision support problem and the adaptive linear programming algorithm. Structural Optimization: Status and Promise (ed. M. P. Kamat), AIAA, Washington, DC, 251–290.Google Scholar
  49. Oden JT, Belytschko T, Fish J, Hughes TJR, Johnson C, Keyes D, Laub A, Petzold L, SrolovitzD, Yip S (2006) Simulation-Based Engineering Science: Revolutionizing Engineering Science through Simulation, Report of NSF Blue Ribbon Panel on Simulation-Based Engineering Science. http://www.nsf.gov/pubs/reports/sbes_final_report.pdf. Accessed 8 December2009.
  50. Olson GB (1997) Computational design of hierarchically structured materials. Science 277(5330):1237–1242.CrossRefGoogle Scholar
  51. Olson GB (2000) Designing a new material world. Science 288:993–998.CrossRefGoogle Scholar
  52. Olson GB (2001) Brains of steel: mind melding with materials. Int. J. Eng. Educ. 17(4–5):468–471.Google Scholar
  53. Panchal JH (2005) A framework for simulation-based integrated design of multiscale products and design processes, Ph.D. Dissertation, G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta,GA.Google Scholar
  54. Panchal JH, Choi H-J, Shepherd J, Allen JK, McDowell DL, Mistree F (2005) A strategy for simulation-based multiscale, multifunctional design of products and design processes. ASME Design Automation Conference, Long Beach, CA. Paper Number: DETC2005–85316.Google Scholar
  55. Panchal JH, Choi H-J, Allen JK, McDowell DL, Mistree F (2007) A systems-based approach for integrated design of materials, products and design process chains. J. Comput. Aided Mater. Des. 14(1):265–293.CrossRefGoogle Scholar
  56. Pollock TM, Allison J (2008) Integrated Computational Materials Engineering: A Transformational Discipline for Improved Competitiveness and National Security, Committee on Integrated Computational Materials Engineering, National Materials Advisory Board, National Research Council of the National Academies, ISBN 13:978-0-309-11999-3.Google Scholar
  57. Qu S, Shastry V, Curtin WA, Miller RE (2005) A finite-temperature dynamic coupled atomistic/discrete dislocation method. Model. Simul. Mater. Sci. Eng. 13(7):1101–1118.CrossRefGoogle Scholar
  58. Rafii-Tabar H, Hua L, Cross M (1998) A multi-scale atomistic-continuum modeling of crack propagation in a two-dimensional macroscopic plate. J. Phys. Condens. Matter 10(11):2375–2387.CrossRefGoogle Scholar
  59. Rudd RE, Broughton JQ (1998) Coarse-grained molecular dynamics and the atomic limit of finite elements. Phys. Rev. B 58(10):R5893–R5896.CrossRefGoogle Scholar
  60. Rudd RE, Broughton JQ (2000) Concurrent coupling of length scales in solid state systems. Phys. Status Solidi B 217(1):251–291.CrossRefGoogle Scholar
  61. Seepersad CC (2004) A robust topological preliminary design exploration method with materials design applications, Ph.D. Dissertation, G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta,GA.Google Scholar
  62. Seepersad CC, Dempsey BM, Allen JK, Mistree F, McDowell DL (2003) Design of multi-functional honeycomb materials. AIAA J. 42(5):1025–1033.CrossRefGoogle Scholar
  63. Seepersad CC, Fernandez MG, Panchal JH, Choi H-J, Allen JK, McDowell DL, Mistree F (2004) Foundations for a systems-based approach for materials design. 10th AIAA/ISSMO Multidisciplinary Analysis and Optimization Conference. Albany, NY: AIAA MAO: AIAA-2004–4300.Google Scholar
  64. Seepersad CC, Kumar RS, Allen JK, Mistree F, McDowell DL (2005) Multifunctional design of prismatic cellular materials. J. Comput. Aided Mater. Des. 11(2–3):163–181.Google Scholar
  65. Seepersad CC, Allen JK, McDowell DL, Mistree F (2008) Multifunctional topology design of cellular structures. J. Mech. Des. 130(3):031404–1–13.Google Scholar
  66. Shen C, Wang Y (2003) Modeling dislocation network and dislocation–precipitate interaction at mesoscopic scale using phase field method. Int. J. Multiscale Comput. Eng. 1(1):91–104.CrossRefGoogle Scholar
  67. Shenoy MM, Zhang J, McDowell DL (2007) Estimating fatigue sensitivity to polycrystalline Ni-base superalloy microstructures using a computational approach. Fatig. Fract. Eng. Mater. Struct. 30(10):889–904.CrossRefGoogle Scholar
  68. Shenoy M, Tjiptowidjojo Y, McDowell DL (2008) Microstructure-sensitive modeling of polycrystalline IN 100. Int. J. Plast. 24:1694–1730.MATHCrossRefGoogle Scholar
  69. Shiari B, Miller RE, Curtin WA (2005) Coupled atomistic/discrete dislocation simulations of nanoindentation at finite temperature. ASME J. Eng. Mater. Technol. 127(4):358–368.CrossRefGoogle Scholar
  70. Shilkrot LE, Curtin WA, Miller RE (2002) A coupled atomistic/continuum model of defects in solids. J. Mech. Phys. Solids 50:2085–2106.MATHCrossRefGoogle Scholar
  71. Shilkrot LE, Miller RE, Curtin WA (2004) Multiscale plasticity modeling: coupled atomistics and discrete dislocation mechanics. J. Mech. Phys. Solids 52:755–787.MATHCrossRefMathSciNetGoogle Scholar
  72. Shu C, Rajagopalan A, Ki X, Rajan K (2003) Combinatorial materials design through database science. In: Materials Research Society Symposium– Proceedings, vol 804, Combinatorial and Artificial Intelligence Methods in Materials Science II:333–341.Google Scholar
  73. Taguchi G (1993) Taguchi on Robust Technology Development: Bringing Quality Engineering Upstream; ASME Press, NewYork.Google Scholar
  74. Vernerey F, Liu WK, Moran B (2007) Multi-scale micromorphic theory for hierarchical materials. J. Mech. Phys. Solids 55(12):2603–2651.MATHCrossRefMathSciNetGoogle Scholar
  75. Wang A-J, Kumar RS, Shenoy MM, McDowell DL (2006) Microstructure-based multiscale constitutive modeling of γ−γ nickel-base superalloys. Int. J. Multiscale Comput. Eng. 4(5–6):663–692.CrossRefGoogle Scholar
  76. Wang YU, Jin YM, Cuitiño AM, Khachaturyan AG (2001) Nanoscale phase field microelasticity theory of dislocations: model and 3D simulations. Acta Mater. 49(10):1847–1857.CrossRefGoogle Scholar
  77. Warner DH, Sansoz F, Molinari JF (2006) Atomistic based continuum investigation of plastic deformation in nanocrystalline copper. Int. J. Plast. 22:754–774.MATHCrossRefGoogle Scholar
  78. Weinan E, Huang Z (2001) Matching conditions in atomistic-continuum modeling of materials Phys. Rev. Lett. 8713(13):135501.Google Scholar
  79. Zbib HM, de la Rubia TD (2002) A multiscale model of plasticity. Int. J. Plast. 18(9):1133–1163.MATHCrossRefGoogle Scholar
  80. Zbib HM, de la Rubia TD, Bulatov V (2002) A multiscale model of plasticity based on discrete dislocation dynamics. ASME J. Eng. Mater. Technol. 124(1):78–87.CrossRefGoogle Scholar

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© Springer Science+Business Media, LLC 2011

Authors and Affiliations

  1. 1.GWW School of Mechanical EngineeringGeorgia Institute of TechnologyAtlantaUSA

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