Gerhard Kahl and Hartmut Löwen 2009 J. Phys.: Condens. Matter 21 464101 doi:10.1088/0953-8984/21/46/464101
Gerhard Kahl1 and Hartmut Löwen2
Show affiliationsDensity functional theory provides an ideal microscopic theory to address freezing and crystallization problems. We review the application of static density functional theory for the calculation of equilibrium phase diagrams. We also describe the dynamical extension of density functional theory for systems governed by overdamped Brownian dynamics. Applications of density functional theory to crystallization problems, in particular to heterogeneous crystal nucleation and subsequent crystal growth, are summarized. Heterogeneous nucleation at an externally imposed nucleation cluster is discussed in detail, in particular for a simple two-dimensional dipolar system. Finally the relation of dynamical density functional theory and the phase field crystal approach are outlined.
Issue 46 (18 November 2009)
Received 22 April 2009, in final form 20 July 2009
Published 27 October 2009
Gerhard Kahl and Hartmut Löwen 2009 J. Phys.: Condens. Matter 21 464101
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