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?
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
BES (2012) From quanta to the continuum: opportunities for meso-scale science, BES report, Department of Energy
Bowden N, Terfort A, Carbeck J et al (1997) Self-assembly of mesoscale objects into ordered two-dimensional arrays. Science 276:233–235
Cahn JW (1961) On spinodal decomposition. Acta Metall Mater 9:795–801
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
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
Chen LQ (2002) Phase-field models for microstructure evolution. Annu Rev Mater Res 32:113–140
Chockalingam K, Millett PC, Tonks MR (2012) Effects of intergranular gas bubbles on thermal conductivity. J Nucl Mater 430:166–170
Geers MGD, Kouznetsova VG, Brekelmans WAM (2010) Multi-scale computational homogenization: trends and challenges. J Comput Appl Math 234:2175–2182
Hu S, Henager CH Jr. (2009) Phase-field modeling of void lattice formation under irradiation. J Nucl Mater 394:155–159
Hu S et al (2009) Phase-field modeling of gas bubbles and thermal conductivity evolution in nuclear fuels. J Nucl Mater 392:292–300
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
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
Jonušauskas L (2018) Optical 3D printing: bridging the gaps in the mesoscale. J Opt 20:2040–8978
Karma A, Rappel WJ (1998) Quantitative phase-field modeling of dendritic growth in two and three dimensions. Phys Rev E 57:4323–4349
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
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
Li JH, Zhang JY, Ge W et al (2004) Multi-scale methodology for complex systems. Chem Eng Sci 59:1687–1700
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 Comput Mater 3:16
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
Millett PC, Tonks M (2011b) Phase-field simulations of gas density within bubbles in metals under irradiation. Comput Mater Sci 50:2044–2050
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
Moelans N, Blanpain B, Wollants P (2008) An introduction to phase-field modeling of microstructure evolution. Calphad 32:268–294
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
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
Ratsch C et al (2002) Level-set method for island dynamics in epitaxial growth. Phys Rev B 65:195403
Sarrao JL (2015) Opportunities and advances in mesoscale science. Curr Opinion Solid State Mater Sci 19:201–202
Sarrao JL, Crabtree GW (2012) Opportunities for mesoscale science. MRS Bull 37:1079–1088
Sarrao JL, Crabtree GW (2015) Progress in mesoscale science. MRS Bull 40:919–922
Short MP, Yip S (2015) Materials aging at mesoscale: kinetics of thermal, stress, radiation activations. Curr Opinion Solid State Mater Sci 19:245–252
Stan M (2009) Discovery and design of nuclear fuels. Mater Today 12:20–28
Stan M et al (2007) Models and simulations of nuclear fuel materials properties. J Alloys Compd 444:415–423
Steinbach I (2009) Phase-field models in materials science. Model Simul Mater Sci Eng 17:073001
Steinbach I (2013) Phase-field model for microstructure evolution at the mesoscopic scale. Annu Rev Mater Res 43:89–107
Tonks MR, Cheniour A, Aagesen L (2018) How to apply the phase field method to model radiation damage. Comput Mater Sci 147:353
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
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Section Editor information
Rights and permissions
Copyright information
© 2020 Springer Nature Switzerland AG
About this entry
Cite this entry
Stan, M., Sarrao, J.L. (2020). Modeling of Microstructure Evolution: Mesoscale Challenges. In: Andreoni, W., Yip, S. (eds) Handbook of Materials Modeling. Springer, Cham. https://doi.org/10.1007/978-3-319-44677-6_77
Download citation
DOI: https://doi.org/10.1007/978-3-319-44677-6_77
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-44676-9
Online ISBN: 978-3-319-44677-6
eBook Packages: Physics and AstronomyReference Module Physical and Materials ScienceReference Module Chemistry, Materials and Physics