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Numerical study of the liquid-solid interface properties for binary alloys using phase-field crystal approach

Published online by Cambridge University Press:  05 April 2013

Muhammad Ajmal Choudhary ,
Julia Kundin  and
Heike Emmerich
Muhammad Ajmal Choudhary
Affiliation:
Lehrstuhl für Material- und Prozesssimulation, Universität Bayreuth, D-95440 Bayreuth, Germany.
Julia Kundin
Affiliation:
Lehrstuhl für Material- und Prozesssimulation, Universität Bayreuth, D-95440 Bayreuth, Germany.
Heike Emmerich
Affiliation:
Lehrstuhl für Material- und Prozesssimulation, Universität Bayreuth, D-95440 Bayreuth, Germany.
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Abstract

The phase-field crystal (PFC) method has emerged as a promising technique to simulate the evolution of crystalline patterns with atomistic resolution on mesoscopic time scales. We use a 2D PFC model based on Elder et al. [Phy. Rev. B 75, 064107 (2007)] to perform a systematic analysis of a liquid-solid interface for a binary alloy system. We propose the method of determining interfacial energies for a curved liquid-solid interface by stabilizing the circular solid seed in the surrounding liquid phase and the liquid droplet in the solid phase for various seed sizes in a finite system. We also investigate the impact of model parameters on the resulting interface energies. The interface energies are computed with various system sizes in order to study the system size effects. In particular, we compare the simulation results in the form of the interface energy as a function of radius with the existing theories.

Keywords

crystalphase transformationSimulation
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1535: Symposium a – Proceedings of the Multiscale Materials Modeling 2012 Conference , 2013 , mmm2012-a-0071
Copyright
Copyright © Materials Research Society 2013 

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References

REFERENCES

Grishick, S.L., Chiu, C. P., J. Chem. Phys. 93, 1273 (1990).CrossRefGoogle Scholar
Kozisek, Z., Cryst. Res. Thechnol. 3, 26 (1991).Google Scholar
Harrowell, P., Oxtoby, D.W., J. Chem. Phys. 80, 1639 (1980).CrossRefGoogle Scholar
Ramakrishnan, T.V., Yussouff, M., Phys. Rev. B 23, 5871 (1981).Google Scholar
Bagdassarian, C.K., Oxtoby, D.W., J. Chem. Phys. 100, 2139 (1994).CrossRefGoogle Scholar
Gránásy, L., Key Eng. Materials 215–216, 451–458 (1996).Google Scholar
Gránásy, L., Pusztai, T., Hertmann, E., J. Cryst. Growth 167, 756 (1996).CrossRefGoogle Scholar
Gránásy, L., Igloi, F., J. Chem. Phys. 107, 3634 (1997).CrossRefGoogle Scholar
Fokin, V.M., Zanotto, E.D., J. Non-Crystalline Solids 105, 265 (2000).Google Scholar
Gránásy, L., Pusztai, T., Warren, J.A., J. Phys.: Condens. Matter 16, R1205 (2004).Google Scholar
Warren, J.A., Pusztai, T., Környei, L., Gránásy, L., Phys. Rev. B 79, 014204 (2009).CrossRefGoogle Scholar
Assady, H., Schröders, J., Acta Mater. 50, 89–100 (2002).Google Scholar
Tröster, A., Oettel, M., Block, B., Virnau, P., and Binder, K., J. Chem. Phys. 136, 064709 (2012).CrossRefGoogle Scholar
Furukawa, H. and Binder, K., Phys. Rev. A 26, 556–566 (1982).CrossRefGoogle Scholar
Schrader, M., Virnau, P., and Binder, K., Phys. Rev. E 79, 061104 (2009).CrossRefGoogle Scholar
Elder, K. R., Katakowski, M., Haataja, M. and Grant, M., Phys. Rev. Lett. 88, 245701 (2002).CrossRefGoogle Scholar
Elder, K. R. and Grant, M., Phys. Rev. E 70, 051605 (2004).CrossRefGoogle Scholar
Elder, K. R., Provatas, N., Berry, J., Stefanovic, P. and Grant, M., Phys. Rev. B 75, 064107 (2007).CrossRefGoogle Scholar
Stefanovic, P. M., Haataja, M. and Provatas, N., Phys. Rev. Lett. 96, 225504 (2006).CrossRefGoogle Scholar
Berry, J., Grant, M. and Elder, K. R., Phys. Rev. E 73, 031609 (2006).CrossRefGoogle Scholar
Choudhary, M. A., Li, D.. Emmerich, H. and Löwen, H., J. Phys.: Condens. Matter 23, 265005 (2011).Google Scholar
Choudhary, M. A., Kundin, J. and Emmerich, H., Phil. Mag. Lett. 92, Iss. 9, 451–458 (2012).CrossRefGoogle Scholar
Choudhary, M. A., Kundin, J., Oettel, M. and Emmerich, H., (in preparation)Google Scholar