8th Liquid Matter Conference September 6-10, 2011 Wien, Austria ...

P7.56Thu 811:10-14:00Study of two-dimensional Lennard-Jones particlesystems in confined geometriesPawel Karbowniczek 1 and Agnieszka Chrzanowska 11 Institute of Physics, Cracow University of Technology, ul. Podchorazych 1, 30-084,Kraków, PolandIn the presentation we show an extensive study of two-dimensional systems of particles interactingvia the Lennard-Jones potential. In the simulations we used the method of Molecular Dynamicsfor NVE ensemble. After initial equilibration the interacting particles are placed in confined geometries.Edges of the walls are composed of fixed particles interacting with the inner system.Lorentz-Berthelot mixing rules are used to estimate the wall-particle intermolecular potential. Weperformed a comprehensive analysis including multiple initial parameters, taking account of differentdensities and temperatures, the relationship of inner and edge particle sizes and their potentialparameters. Additionaly we show an innovative method of construction of phase diagrams forthese systems using density maps and their analysis using two-dimensional FFT. We describe dynamicsof particle systems in different time scales, from micro- to macroscopic. Data collectedduring simulations allowed for the accurate characterization of liquid and solid, and to find newlocal structures/effects that exist only for confined geometries.56