ELFT HÍRADÓ

[tcsaba AT eik.bme.hu]

                                  MEGHÍVÓ

              a BME Fizikai Intézete Elméleti Fizika Tanszékének

                               szemináriumára:


                             László Gránásy
                  Wigner Research Centre for Physics


          "Crystal nucleation and growth in a simple classical
                   dynamical density functional theory"


Crystallization of supersaturated liquids usually starts by  
heterogeneous nucleation. Mounting evidence shows that even  
homogeneous nucleation in simple liquids takes place in two steps;  
first a dense amorphous precursor forms, and the crystalline phase  
appears via heterogeneous nucleation in/on the precursor cluster.  
Here, we review recent results by a simple dynamical density  
functional theory, the phase-field crystal model, for  
(precursor-mediated) homogeneous and heterogeneous nucleation of  
nanocrystals. It will be shown that the mismatch between the lattice  
constants of the nucleating crystal and the substrate plays a decisive  
role in determining the contact angle and nucleation barrier, which  
were found to be non-monotonic functions of the lattice mismatch. It  
is concluded that time dependent studies are essential as  
investigations based on equilibrium properties often cannot identify  
the preferred nucleation pathways. Modelling of these phenomena is  
essential for designing materials on the basis of controlled  
nucleation and/or nano-patterning.


Helye: BME Fizikai Intézet, Elméleti Fizika Tanszék
Budafoki út 8. F-épület, III lépcsöház
Szemináriumi szoba

Ideje: 2015. május 15. péntek, 10:15.

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