Abstract
A hyperbolic phase-field model (PFM) was proposed from the thermodynamic extremal principle for rapid solidification of a binary alloy. In the modeling, not only the interface but also the bulk phases are under non-equilibrium conditions. Dissipation inside the interface, its relations to the sharp interface models, and the previous PFMs are discussed. The solute diffusion in liquid splits into the long-range solute diffusion and the short-range solute redistribution between solid and liquid if the solute diffusion in solid is negligible, being consistent with a recent concept of finite interface dissipation proposed by Steinbach and coauthors (Steinbach in Annu Rev Mater Res 43:89–107, 2013; Steinbach et al. in Acta Mater 60:2689–2701, 2012; Zhang, Steinbach in Acta Mater 60:2702–2710, 2012; Zhang et al. in Acta Mater 61:4155–4168, 2013). Complete solute trap** is predicted when the interface velocity is equal to or larger than the maximal solute diffusion velocity. The interface kinetics is analyzed theoretically and simulated numerically for the rapid solidification of Si–9 at.% As alloy.
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10853-014-8686-1/MediaObjects/10853_2014_8686_Fig1_HTML.gif)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10853-014-8686-1/MediaObjects/10853_2014_8686_Fig2_HTML.gif)
![](http://media.springernature.com/m312/springer-static/image/art%3A10.1007%2Fs10853-014-8686-1/MediaObjects/10853_2014_8686_Fig3_HTML.gif)
Similar content being viewed by others
Notes
It must be pointed out that all the thermodynamic principles for modeling of the non-equilibrium dissipative systems (e.g., the Onsager’s least energy dissipation principle [21], the maximal entropy production principle [22, 23]) are renamed uniformly as the TEP in a recent review of Fisher et al. [24].
The superscript “*” in the current work denotes the values at the boundary between interface and solid (liquid) in the thick interface or the values at the sharp interface.
Similar to Galenko et al. [20], the non-equilibrium bulk contribution influences the long-range solute diffusion but not the short-range solute redistribution between solid and liquid.
References
Steinbach I (2009) Phase-field models in materials science. Model Simul Mater Sci Eng 17:073001
Steinbach I, Shchyglo O (2011) Phase-field modelling of microstructure evolution in solids: perspectives and challenges. Curr Opin Solid State Mater Sci 15:87–92
Steinbach I (2013) Phase-field model for microstructure evolution at the mesoscopic scale. Annu Rev Mater Res 43:89–107
Emmerich H (2008) Advances of and by phase-field modelling in condensed-matter physics. Adv Phys 57:1–87
McKenna IM, Gururajan MP, Voorhees PW (2009) Phase field modeling of grain growth: effect of boundary thickness, triple junctions, misorientation, and anisotropy. J Mater Sci 44:2206–2217. doi:10.1007/s10853-008-3196-7
Tang JJ, Xue X (2009) Phase-field simulation of directional solidification of a binary alloy under different boundary heat flux conditions. J Mater Sci 44:745–753. doi:10.1007/s10853-008-3157-1
Wheeler AA, Boettinger WJ, McFadden GB (1992) Phase-field model for isothermal phase transitions in binary alloys. Phys Rev A 45:7424–7439
Karma A (2001) Phase-field Formulation for quantitative modeling of alloy solidification. Phys Rev Lett 87:115701
Echebarria B, Folch R, Karma A, Plapp M (2004) Quantitative phase-field model of alloy solidification. Phys Rev E 70:061604
Tiaden J, Nestler B, Diepers HJ, Steinbach I (1998) The multiphase-field model with an integrated concept for modelling solute diffusion. Physica D 115:73–86
Kim SG, Kim WT, Suzuki T (1999) Phase-field model for binary alloys. Phys Rev E 60:7186–7197
Eiken J, Böttger B, Steinbach I (2006) Multiphase-field approach for multicomponent alloys with extrapolation scheme for numerical application. Phys Rev E 73:066122
Böttger B, Eiken J, Steinbach I (2006) Phase field simulation of equiaxed solidification in technical alloys. Acta Mater 54:2697–2704
Steinbach I, Zhang LJ, Plapp M (2012) Phase-field model with finite interface dissipation. Acta Mater 60:2689–2701
Zhang LJ, Steinbach I (2012) Phase-field model with finite interface dissipation: extension to multi-component multi-phase alloys. Acta Mater 60:2702–2710
Zhang LJ, Danilova EV, Steinbach I et al (2013) Diffuse-interface modeling of solute trap** in rapid solidification: predictions of the hyperbolic phase-field model and parabolic model with finite interface dissipation. Acta Mater 61:4155–4168
Wang HF, Liu F, Ehlen GJ, Herlach DM (2013) Application of the maximal entropy production principle to rapid solidification: a multi-phase-field model. Acta Mater 61:2617–2627
Galenko P (2001) Phase-field model with relaxation of the diffusion flux in nonequilibrium solidification of a binary system. Phys Lett A 287:190–197
Lebedev VG, Abramova EV, Danilov DA, Galenko PK (2010) Phase-field modeling of solute trap** comparative analysis of parabolic and hyperbolic models. Int J Mat Res 101:473–479
Galenko P, Abramova EV, Jou D et al (2011) Solute trap** in rapid solidification of a binary dilute system: a phase-field study. Phys Rev E 84:041143
Onsager L (1931) Reciprocal relations in irreversible processes. I. Phys Rev 37:405–426
Ziegler H (1983) An introduction to thermodynamics. North-Holland, Amsterdam
Martyushev LM, Seleznev VD (2006) Maximum entropy production principle in physics, chemistry and biology. Phys Rep 426:1–45
Fischer FD, Svoboda J, Petryk H (2014) Thermodynamic extremal principles for irreversible processes in materials science. Acta Mater 67:1–20
Jou D, Casas-Vázquez J, Lebon G (2010) Extended irreversible thermodynamics. Springer, Berlin
Galenko PK, Sobolev SL (1997) Local nonequilibrium effect on undercooling in rapid solidification of alloys. Phys Rev E 55:343–352
Galenko PK (2002) Extended thermodynamical analysis of a motion of the solid–liquid interface in a rapidly solidifying alloy. Phys Rev B 65:144103
Galenko PK (2007) Solute trap** and diffusionless solidification in a binary system. Phys Rev E 76:031606
Aziz MJ (1982) Model for solute redistribution during rapid solidification. J Appl Phys 53:1158–1168
Aziz MJ, Kaplan T (1988) Continuous growth model for interface motion during alloy solidification. Acta Metall 36:2335–2347
Galenko PK, Danilov DA (1997) Local nonequilibrium effect on rapid dendritic growth in a binary alloy melt. Phys Lett A 235:271–280
Galenko PK, Danilov DA (1999) Model for free dendritic alloy growth under interfacial and bulk phase nonequilibrium conditions. J Cryst Growth 197:992–1002
Yang Y, Humadi H, Buta D et al (2011) Atomistic simulations of nonequilibrium crystal-growth kinetics from alloy melts. Phys Rev Lett 107:025505
Baker JC (1970) Interfacial partitioning during solidification. PhD thesis, MIT
Svoboda J, Turek I (1991) On diffusion-controlled evolution of closed solid-state thermodynamic systems at constant temperature and pressure. Philos Mag B 64:749–759
Svoboda J, Turek I, Fischer FD (2005) Application of the thermodynamic extremal principle to modeling of thermodynamic processes in material sciences. Philos Mag 85:3699–3707
Svoboda J, Fischer FD, Fratzl P, Kroupa A (2002) Diffusion in multi-component systems with no or dense sources and sinks for vacancies. Acta Mater 50:1369–1381
Svoboda J, Fischer FD, McDowell DL (2012) Derivation of the phase field equations from the thermodynamic extremal principle. Acta Mater 60:396–406
Cahn JW, Hillard J (1958) Free energy of a nonuniform system. I. Interface free energy. J Chem Phys 28:258–267
Allen SM, Cahn JW (1979) A microscopic theory for antiphase boundary motion and its application to antiphase domain coarsening. Acta Metall 27:1085–1095
Wang HF, Zhang X, Lai C, Kuang WW, Liu F (2014) Thermodynamic principles for phase-field modeling of alloy solidification. Curr Opin Chem Eng. doi:10.1016/j.coche.2014.09.004
Penrose O, Fife PC (1990) Thermodynamically consistent models of phase-field type for the kinetics of phase transitions. Physica D 43:44–62
Wang SL, Sekerka RF, Wheeler AA et al (1993) Thermodynamically consistent phase-field models for solidification. Physica D 69:189–200
Sekerka RF (2011) Irreversible thermodynamic basis of phase field models. Philos Mag 91:3–23
Galenko P, Jou D (2005) Diffuse-interface model for rapid phase transformations in nonequilibrium systems. Phys Rev E 71:046125
Galenko P, Jou D (2009) Kinetic contribution to the fast spinodal decomposition controlled by diffusion. Physica A 388:3113–3123
Moelans N (2011) A quantitative and thermodynamically consistent phase-field interpolation function for multi-phase systems. Acta Mater 59:1077–1086
Hillert M, Rettenmayr M (2003) Deviation from local equilibrium at migrating phase interfaces. Acta Mater 51:2803–2809
Hillert M, Odqvist J, Ǻgren J (2004) Interface conditions during diffusion-controlled phase transformations. Scripta Mater 50:547–550
Wang HF, Liu F, Zhai HM, Wang K (2012) Application of the maximal entropy production principle to rapid solidification: a sharp interface model. Acta Mater 60:1444–1454
Hillert M (1999) Solute drag, solute trap** and diffusional dissipation of gibbs energy. Acta Mater 47:4481–4505
Ahmad NA, Wheeler AA, Boettinger WJ, McFadden GB (1998) Solute trap** and solute drag in a phase-field model of rapid solidification. Phys Rev E 58:3436–3450
Wheeler AA, Boettinger WJ, McFadden GB (1993) Phase-field model of solute trap** during solidification. Phys Rev E 47:1893–1909
Acknowledgements
Haifeng Wang would like to thank the support of Alexander von Humboldt Foundation for a research fellowship, Prof. Peter Galenko for his valuable comments, and Prof. Ingo Steinbach for his continuous encouragement on this work. The authors are grateful to the National Basic Research Program of China (973 Program, No. 2011CB610403), the National Science Funds for Distinguished Young Scientists (No. 51125002), the Natural Science Foundation of China (Nos. 51371149 and 51101122), and the Free Research Fund of State Key Laboratory of Solidification Processing (No. 92-QZ-2014).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Wang, H., Kuang, W., Zhang, X. et al. A hyperbolic phase-field model for rapid solidification of a binary alloy. J Mater Sci 50, 1277–1286 (2015). https://doi.org/10.1007/s10853-014-8686-1
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10853-014-8686-1