Related papers: Freezing transition in three and two dimensions by…
Recent advances in cold atom experimentation suggest that studies of quantum two-dimensional melting of dipolar molecules, with dipoles aligned perpendicular to ordering plane, may be on the horizon. An intriguing aspect of this problem is…
Classical density functional theory (DFT) is a statistical mechanical theory for calculating the density profiles of the molecules in a liquid. It is widely used, for example. to calculate the density distribution of the molecules in the…
Fluids with competing short range attraction and long range repulsive interactions between the particles can exhibit a variety of microphase separated structures. We develop a lattice-gas (generalised Ising) model and analyse the phase…
Topological defects such as dislocations and disclinations are predicted to determine the twodimensional (2-D) melting transition. In 2-D superconducting vortex lattices, macroscopic measurements evidence melting close to the transition to…
We have used the density-functional theory to locate the freezing transitions and calculate the values of freezing parameters for a system of long elongated molecules which interact via the Gay-Berne pair potential. The pair correlation…
We elucidate the interplay between diverse two-dimensional melting pathways and establish solid/hexatic and hexatic/liquid transition criteria via the numerical simulations of the melting transition of two- and three-component mixtures of…
Using video-microscopy data of a two-dimensional colloidal system the bond-order correlation function G6 is calculated and used to determine the temperature-dependence of both the orientational correlation length xi6 in the isotropic liquid…
Two dimensional crystals melt via an intermediate \textit{hexatic} phase which is characterized by an anomalous scaling of spatial and orientational correlation functions and the absence of an attraction between dislocations. We propose a…
We find that both continuous and discontinuous hexatic-liquid transitions can happen in the melting of two-dimensional solids of soft-core disks. For three typical model systems, Hertzian, harmonic, and Gaussian-core models, we observe the…
Unrestricted DFT methods are typically expected to describe the homolytic dissociation of nonpolar single bonds in neutral species with qualitative accuracy, due to the lack of significant delocalization error. We however find that many…
A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…
The phase diagram of the prototypical two-dimensional Lennard-Jones system, while extensively investigated, is still debated. In particular, there are controversial results in the literature as concern the existence of the hexatic phase and…
The one-dimensional (1D) fractional Fourier transform (FRFT) generalizes the Fourier transform, offering significant advantages in the time-frequency analysis of non-stationary signals. While various 2D extensions exist, such as the 2D…
Recent studies of melting in hard disks have confirmed the existence of a hexatic phase occurring in a narrow window of density which is separated from the isotropic liquid phase by a first-order transition, and from the solid phase by a…
The supersolid phase of soft-core bosons in two dimensions is investigated using the self-consistent Hartree-Fock and quantum Monte Carlo methods. An approximate phase diagram at finite temperatures is initially constructed using the…
A general theory for the melting of two dimensional solids explaining the universal and non-universal properties is an open problem up to date. Although the celebrated KTHNY theory have been able to predict the critical properties of the…
Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…
We consider a classical XY-like Hamiltonian on a body-centered tetragonal lattice, focusing on the role of interlayer frustration. A three-dimensional (3D) ordered phase is realized via thermal fluctuations, breaking the mirror-image…
Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum…
We study the distribution of the mean radial displacement of charges of a 2D one-component plasma in the thermodynamic limit $N\to\infty$ at finite temperature $\beta>0$. We compute explicitly the large deviation functions showing the…