Interfacial growth mechanisms in simple systems: Providing a density functional theory and computer simulation basis for coarse grained models of crystallization of phase field and phase field crystal type

SCHEME: INTER

CALL: 2011

DOMAIN: MS - Materials, Physics and Engineering

FIRST NAME: Tanja

LAST NAME: Schilling

INDUSTRY PARTNERSHIP / PPP: No

INDUSTRY / PPP PARTNER:

HOST INSTITUTION: University of Luxembourg

KEYWORDS:

START: 2012-07-01

END: 2014-06-30

WEBSITE: https://www.uni.lu

Submitted Abstract

We aim at a thorough understanding of the dynamics of uid{solid interfaces during crystallizationin simple model systems (hard spheres and Lennard{Jones as generic examplesof a colloidal uid and a metal, respectively). To this end, we employ Molecular DynamicsSimulation and Dynamic Density Functional Theory and compare to the eective PhaseField Crystal approach. Particular emphasis shall be on investigating the question whetherthe picture of few leading density modes (as implicit in the eective approach) is valid. Theinterface dynamics will be investigated in the case of the growth of a planar front as well asthe growth around xed seeds or walls (heterogeneous nucleation).

This site uses cookies. By continuing to use this site, you agree to the use of cookies for analytics purposes. Find out more in our Privacy Statement