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Modeling of Microstructure Evolution: Mesoscale Challenges

Handbook of Materials Modeling

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Abstract

This introductory chapter presents a perspective on multiscale modeling that emphasizes the role and challenges of mesoscale methods and their impact on understanding and predicting material properties. The predictive power of the combined experimental, theoretical, and computational mesoscale approaches is illustrated by a brief discussion of the phase field method and its application to microstructure evolution. After summarizing the main ideas of each chapter in the section, the state of the art and the future of the field are examined by asking and answering four questions: Is the 3-D representation always necessary?, Do mesoscale computational methods capture nonequilibrium?, To what degree are mesoscale methods quantitative?, and Are mesoscale methods computationally efficient?

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References

  • BES (2012) From quanta to the continuum: opportunities for meso-scale science, BES report, Department of Energy

    Google Scholar 

  • Bowden N, Terfort A, Carbeck J et al (1997) Self-assembly of mesoscale objects into ordered two-dimensional arrays. Science 276:233–235

    Google Scholar 

  • Cahn JW (1961) On spinodal decomposition. Acta Metall Mater 9:795–801

    Google Scholar 

  • Cahn JW, Allen SM (1977) A microscopic theory of domain wall motion and its experimental verification in Fe-Al alloy domain growth kinetics. J Phys Colloq 38:C7–C51

    Google Scholar 

  • Chakraborty P, Zhang YF, Tonks MR (2016) Multi-scale modeling of microstructure dependent intergranular brittle fracture using a quantitative phase-field based method. Comput Mater Sci 113:38–52

    Google Scholar 

  • Chen LQ (2002) Phase-field models for microstructure evolution. Annu Rev Mater Res 32:113–140

    Google Scholar 

  • Chockalingam K, Millett PC, Tonks MR (2012) Effects of intergranular gas bubbles on thermal conductivity. J Nucl Mater 430:166–170

    Google Scholar 

  • Geers MGD, Kouznetsova VG, Brekelmans WAM (2010) Multi-scale computational homogenization: trends and challenges. J Comput Appl Math 234:2175–2182

    Google Scholar 

  • Hu S, Henager CH Jr. (2009) Phase-field modeling of void lattice formation under irradiation. J Nucl Mater 394:155–159

    Google Scholar 

  • Hu S et al (2009) Phase-field modeling of gas bubbles and thermal conductivity evolution in nuclear fuels. J Nucl Mater 392:292–300

    Google Scholar 

  • Hu S et al (2010) Application of the phase-field method in predicting gas bubble microstructure evolution in nuclear fuels. Int J Mater Res 101:515–522

    Google Scholar 

  • Hu SY, Casella A, Lavender CA, Senor DJ, Burkes D (2015) Assessment of effective thermal conductivity in U-Mo metallic fuels with distributed gas bubbles. J Nucl Mater 462:64–76

    Google Scholar 

  • JonuÅ¡auskas L (2018) Optical 3D printing: bridging the gaps in the mesoscale. J Opt 20:2040–8978

    Google Scholar 

  • Karma A, Rappel WJ (1998) Quantitative phase-field modeling of dendritic growth in two and three dimensions. Phys Rev E 57:4323–4349

    Google Scholar 

  • Klinsmann M, Rosato D, Kamlah M, McMeeking RM (2015) An assessment of the phase field formulation for crack growth. Comput Methods Appl Mech Eng 294:313–330

    Google Scholar 

  • Li JH, Zhang JY, Ge W et al (2004) Multi-scale methodology for complex systems. Chem Eng Sci 59:1687–1700

    Google Scholar 

  • Li D, Li Y, Hu S, Sun X, Khaleel M (2012) Predicting thermal conductivity evolution of polycrystalline materials under irradiation using multiscale approach. Metall Mater Trans A Phys Metall Mater Sci 43A:1060–1069

    Google Scholar 

  • Li Y, Hu SY, Sun X, Stan M (2017) A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials. npj-Comp Mater 3:16

    Google Scholar 

  • Millett PC, Tonks M (2011a) Meso-scale modeling of the influence of intergranular gas bubbles on effective thermal conductivity. J Nucl Mater 412:281–286

    Google Scholar 

  • Millett PC, Tonks M (2011b) Phase-field simulations of gas density within bubbles in metals under irradiation. Comput Mater Sci 50:2044–2050

    Google Scholar 

  • Millett PC, Wolf D, Desai T, Rokkam S, El-Azab A (2008) Phase-field simulation of thermal conductivity in porous polycrystalline microstructures. J Appl Phys 104:033512

    Google Scholar 

  • Moelans N, Blanpain B, Wollants P (2008) An introduction to phase-field modeling of microstructure evolution. Calphad 32:268–294

    Google Scholar 

  • Opplestrup T, Bulatov VV, Gilmer GH, Kalos MH, Sadigh B (2006) First-passage Monte Carlo algorithm: diffusion without all the hops. Phys Rev Lett 97:230602

    Google Scholar 

  • Praprotnik M, Delle Site L, Kremer K (2008) Multiscale simulation of soft matter: From scale bridging to adaptive resolution. Annu Rev Phys Chem 59:545–571

    Google Scholar 

  • Ratsch C et al (2002) Level-set method for island dynamics in epitaxial growth. Phys Rev B 65:195403

    Google Scholar 

  • Sarrao JL (2015) Opportunities and advances in mesoscale science. Curr Opinion Solid State Mater Sci 19:201–202

    Google Scholar 

  • Sarrao JL, Crabtree GW (2012) Opportunities for mesoscale science. MRS Bull 37:1079–1088

    Google Scholar 

  • Sarrao JL, Crabtree GW (2015) Progress in mesoscale science. MRS Bull 40:919–922

    Google Scholar 

  • Short MP, Yip S (2015) Materials aging at mesoscale: kinetics of thermal, stress, radiation activations. Curr Opinion Solid State Mater Sci 19:245–252

    Google Scholar 

  • Stan M (2009) Discovery and design of nuclear fuels. Mater Today 12:20–28

    Google Scholar 

  • Stan M et al (2007) Models and simulations of nuclear fuel materials properties. J Alloys Compd 444:415–423

    Google Scholar 

  • Steinbach I (2009) Phase-field models in materials science. Model Simul Mater Sci Eng 17:073001

    Google Scholar 

  • Steinbach I (2013) Phase-field model for microstructure evolution at the mesoscopic scale. Annu Rev Mater Res 43:89–107

    Google Scholar 

  • Tonks MR, Cheniour A, Aagesen L (2018) How to apply the phase field method to model radiation damage. Comput Mater Sci 147:353

    Google Scholar 

  • Welland MJ, Lewis BJ, Thompson WT (2011) Review of high temperature thermochemical properties and application in phase-field modelling of incipient melting in defective fuel. J Nucl Mater 412:342–349

    Google Scholar 

Download references

Acknowledgments

This work was supported in part by the Project on Sustainability of Kuwait’s Built Environment of the MIT Center for Natural Resources and Environment, and by the Basic Energy Sciences, US Department of Energy award DE-SC0002633.

Author information

Authors and Affiliations

  1. Applied Materials Division, Argonne National Laboratory, Argonne, IL, USA

    Marius Stan

  2. Los Alamos National Laboratory, Los Alamos, NM, USA

    John L. Sarrao

Authors
  1. Marius Stan
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  2. John L. Sarrao
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Corresponding author

Correspondence to John L. Sarrao .

Editor information

Editors and Affiliations

  1. Institute of Physics, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland

    Wanda Andreoni

  2. Department of Nuclear Science & Engineering , Massachusetts Institute of Technology , Cambridge, MA, USA

    Sidney Yip

Section Editor information

  1. No affiliation provided

    John Sarrao

  2. No affiliation provided

    Marius Stan

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Stan, M., Sarrao, J.L. (2018). Modeling of Microstructure Evolution: Mesoscale Challenges. In: Andreoni, W., Yip, S. (eds) Handbook of Materials Modeling . Springer, Cham. https://doi.org/10.1007/978-3-319-42913-7_77-1

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  • DOI: https://doi.org/10.1007/978-3-319-42913-7_77-1

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-42913-7

  • Online ISBN: 978-3-319-42913-7

  • eBook Packages: Springer Reference Physics and AstronomyReference Module Physical and Materials ScienceReference Module Chemistry, Materials and Physics

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Chapter history

  1. Latest

    Modeling of Microstructure Evolution: Mesoscale Challenges
    Published:
    25 January 2020

    DOI: https://doi.org/10.1007/978-3-319-42913-7_77-2

  2. Original

    Modeling of Microstructure Evolution: Mesoscale Challenges
    Published:
    31 August 2018

    DOI: https://doi.org/10.1007/978-3-319-42913-7_77-1

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