Abstract
Using classical density functional theory (DFT) in a modified mean-field approximation we investigate the fluid phase behavior of quasi-two dimensional dipolar fluids confined to a plane. The particles carry three-dimensional dipole moments and interact via a combination of hard-sphere, van-der-Waals, and dipolar interactions. The DFT predicts complex phase behavior involving first- and second-order isotropic-to-ferroelectric transitions, where the ferroelectric ordering is characterized by global polarization within the plane. We compare this phase behavior, particularly the onset of ferroelectric ordering and the related tri-critical points, with corresponding three-dimensional systems, slab-like systems (with finite extension into the third direction), and true two-dimensional systems with two-dimensional dipole moments.
Highlights
Two-dimensional (2D) fluids consisting of particles with classical dipole-dipole interactions such asmagnetic nanoparticles at interfaces [1,2,3], cobalt nanocrystals on solid surfaces [4], and suspensions of polarizable colloids in 2D dielectrophoretic set-ups [5,6], currently attract much attention
Using classical density functional theory (DFT) in a modified mean-field approximation we investigate the fluid phase behavior of quasi-two dimensional dipolar fluids confined to a plane
Recent Molecular Dynamics (MD) simulations [17] revealed long-range ferroelectric ordering in dense, 2D Stockmayer fluids, where the dipoledipole interactions are supplemented by isotropic Lennard-Jones (LJ) interactions
Summary
Two-dimensional (2D) fluids consisting of particles with classical dipole-dipole interactions such as (para)magnetic nanoparticles at interfaces [1,2,3], cobalt nanocrystals on solid surfaces [4], and suspensions of polarizable colloids in 2D dielectrophoretic set-ups [5,6], currently attract much attention. Apart from the above-mentioned aggregation phenomena, one topic investigated by computer simulations concerns the appearance and characteristics of vapor-liquid transitions [9,10,11,12,13,14] Another question touches the structure at high densities close to the range where crystallization is expected to occur. Various Monte Carlo (MC) simulation studies [9,15] revealed the appearance of ferroelectric (or ferromagnetic, respectively) domains, but overall frustrated (vortex) structures without true long-range orientational ordering. This is consistent with integral equation results [15,16], where predictions on the low-temperature behavior are extracted by analyzing correlation functions. Recent Molecular Dynamics (MD) simulations [17] revealed long-range ferroelectric ordering in dense, 2D Stockmayer fluids, where the dipoledipole interactions are supplemented by isotropic Lennard-Jones (LJ) interactions
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