Related papers: Freezing transition in three and two dimensions by…
Quantitative phase field models have been extensively used to study the solidification behavior of alloys under different conditions. However, a longstanding challenge of phase field models is the directional bias caused by the…
A problem of the orientational and density structure properties of a confined three-dimensional (3D) and two-dimensional (2D) Hard Gausssian Overlap (HGO) ellipsoids has been revisited using the Onsager-type second virial approximation of…
We experimentally investigate the crystallization of a uniformly heated quasi-2D granular fluid as a function of filling fraction. Our experimental results for the Lindemann melting criterion, the radial distribution function, the bond…
Understanding the nanoscale effects controlling the dynamics of a contact line -- defined as the line formed at the junction of two fluid phases and a solid -- has been a longstanding problem in fluid mechanics pushing experimental and…
The finite temperature phase diagram of two-dimensional dipolar bosons versus dipolar interaction strength is discussed. We identify the stable phases as dipolar superfluid (DSF), dipolar Wigner crystal (DWC), dipolar hexatic fluid (DHF),…
The recent observations of ferromagnetic order in several two-dimensional (2D) materials have generated an enormous interest in the physical mechanisms underlying 2D magnetism. In the present prospective article we show that Density…
We have performed Brownian dynamics simulations on melting of two-dimensional colloidal crystal in which particles interact with Yukawa potential. The pair correlation function and bond-orientational correlation function was calculated in…
The freezing mechanism suggested for a fluid composed of hard disks [Huerta et al., Phys. Rev. E, 2006, 74, 061106] is used here to probe the fluid-to-solid transition in a hard-dumbbell fluid composed of overlapping hard disks with a…
A simple d-dimensional lattice model is proposed, incorporating some degree of frustration and thus capable of describing some aspects of molecular orientation in covalently bound molecular solids. For d=2 the model is shown to be…
Practical density functional theory (DFT) owes its success to the groundbreaking work of Kohn and Sham that introduced the exact calculation of the non-interacting kinetic energy of the electrons using an auxiliary mean-field system.…
We perform Langevin dynamics simulations and use polygon construction method to investigate two-dimensional (2D) melting and freezing transitions in many-particle Yukawa systems. 2D melting transitions can be characterized as proliferation…
Dynamic density functional theory (DDFT) is a promising approach for predicting the structural evolution of a drying suspension containing one or more types of colloidal particles. The assumed free-energy functional is a key component of…
Understanding the properties of molecular solids at high pressure is a key element in the development of new solid-state theories. However, the most commonly used generalized-gradient approximation (GGA) of the density functional theory…
The design of better exchange-correlation functionals for Density Functional Theory (DFT) is a central challenge of modern electronic structure theory. However, current developments are limited by the mathematical form of the functional,…
We propose a periodically driven system whose dimensionality is an emergent property that can be tunable, thus enables us to realize not only many-body phases with arbitrary dimensions, but also phase transitions, instead of crossovers,…
Thermodynamics provides a transparent definition of the free energy of density functional theory (DFT), and of its derivatives - the potentials, at finite temperatures T. By taking the T to 0 limit, it is shown here that both DFT and…
Linear scaling density functional theory approaches to electronic structure are often based on the tendency of electrons to localize even in large atomic and molecular systems. However, in many cases of actual interest, for example in…
Simulations of nematic-isotropic transition of liquid crystals in two dimensions are performed using an O(2) vector model characterised by non linear nearest neighbour spin interaction governed by the fourth Legendre polynomial $P\_4$. The…
We performed two-dimensional simulated tempering (ST) simulations of the two-dimensional Ising model with different lattice sizes in order to investigate the two-dimensional ST's applicability to dealing with phase transitions and to study…
Using molecular dynamics simulation we have investigated the influence of random pinning on the phase diagram and melting scenarios of a two-dimensional (2D) system with the Hertz potential for $\alpha=5/2$. For the first time it has been…