相关论文: Modelling the atomic structure of very high-densit…
Orientational and positional ordering properties of liquid crystal monolayers are examined by means of Fundamental-Measure Density Functional Theory. Particles forming the monolayer are modeled as hard parallelepipeds of square section of…
We study a frustrated dipolar array recently manufactured lithographically by Wang {\em et al.} [Nature {\bf 439}, 303 (2006)] in order to realize the square ice model in an artificial structure. We discuss models for thermodynamics and…
Multistep denaturation in a short circular DNA molecule is analyzed by a mesoscopic Hamiltonian model which accounts for the helicoidal geometry. Computation of melting profiles by the path integral method suggests that stacking…
Ice naturally forms in the disordered or ``amorphous'' state when accreted from vapor at temperatures and pressures found in the interstellar medium and in the frigid, low density outer regions of the Sun's protoplanetary disk. It is…
The phase diagram of self-propelled hard disk systems with Vicsek-type alignment interactions was investigated by event-driven molecular dynamics simulations. The model incorporates two competing order parameters: the polar order-disorder…
Recently, a new family of symmetry-protected higher-order topological insulators has been proposed and was shown to host lower-dimensional boundary states. However, with the existence of the strong disorder in the bulk, the crystal symmetry…
Melting in 2D is described by the celebrated Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory. The unbinding of two different types of topological defects destroys translational and orientational order at different temperatures. The…
In this paper we study the structure of the ice/vapor interface in the neighborhood of the triple point for the TIP4P/2005 model. We probe the fluctuations of the ice/film and film/vapor surfaces that separate the liquid film from the…
We investigate a lattice-fluid model of water, defined on a three-dimensional body centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms, aiming to mimic the formation of hydrogen bonds.…
A cascade of phase transitions from square to hexagonal lattice is studied in 2D system of particles interacting via core-softened potential. Due to the presence of two length-scales of repulsion, different local configurations with four,…
Colloidal particles are often seen as big atoms that can be directly observed in real space. They are therefore playing an increasingly important role as model systems to study processes of interest in condensed matter physics such as…
We study pattern formation in gels undergoing simultaneous phase separation and orientational ordering. A 2D numerical simulation is performed using a minimal model of nonlinear elasticity with density-anisotropy coupling. For strong…
High Entropy Alloys (HEAs) are designed by mixing multiple metallic species in nearly the same amount to obtain crystalline or amorphous materials with exceptional mechanical properties. Here we use molecular dynamics simulations to…
Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…
The model of strongly correlated electrons with the correlated hopping term and an additional interaction between holes $V$ is solved exactly in one dimension at a special point where the number of hole pairs is conserved. As a function of…
We present results of classical dynamics calculations, performed to study the photodissociation of water in crystalline and amorphous ice surfaces at a surface temperature of 10 K. Dissociation in the top six monolayers is considered.…
We describe a novel crystal growth instability that enhances the development of thin edges, promoting the formation of plate-like or hollow columnar morphologies. This instability arises when diffusion-limited growth is coupled with…
We describe an experimental and computational investigation of the ordered and disordered phases of a vibrating thin, dense granular layer composed of identical metal spheres. We compare the results from spheres with different amounts of…
The formation and accretion of ice on the leading edge of an airfoil can be detrimental to aerodynamic performance. Furthermore, the geometric shape of leading edge ice profiles can vary significantly depending on a wide range of physical…
An open question is whether the liquid and glassy phases of water are thermodynamically distinct or continuous. Here we address this question using molecular dynamics simulations in comparison with neutron scattering experiments to study…