Stefanie Cattes

Graduate Student
Technische Universität Berlin (TU Berlin), Theroetical Chemistry Department

Research Interests
Phase behavior of a confined classical three-dimensional spin fluid using Density Functional Theory (DFT).

In this work we study the phase behavior of the confined classical Heisenberg fluid. Within the framework of classical density functional theory (DFT) pair correlations are treated at the modified mean-field level at which they are approximated by orientation dependent Mayer f-functions. We also assume a non-local density despite the presence of confining solid substrates. The resulting phase behavior is consistent with previous studies on confined fluids. By imposing anchoring at the walls it is possible to realize a number of different local orientational configurations, which all correspond to a comparable mean order. Furthermore it is possible to realize a twisted spin fluid with a critical twist depending on the wall to wall distance.