相关论文: Molecular shape and flexoelectricity

Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…

We study with lattice Monte Carlo simulations the interactions and macroscopic behaviour of a large number of vortices in the 3-dimensional U(1) gauge+Higgs field theory, in an external magnetic field. We determine non-perturbatively the…

Molecular Dynamic and Monte Carlo studies are performed in a family of core-softened (CS) potential, composed by two length scales: a repulsive shoulder at short distances and the another a variable scale, that can be repulsive or strongly…

With an implicit Particle-in-cell/Monte Carlo model, capacitively coupled plasmas are studied in two-dimensional and axisymmetric geometry. Self-bias dc voltage effects are self-consistently considered. Due to finite length effects, the…

We consider the magnetoelectric effect produced by a capacitor formed by two semispherical perfectly conducting plates subjected to a potential difference and surrounded by a spherical shell of a topologically insulating material. The…

This paper improves understanding of electrostatic influences on apex field enhancement factors (AFEFs) for small field emitter arrays. Using the "floating sphere at emitter-plate potential" (FSEPP) model, it re-examines the electrostatics…

Monte Carlo simulations are performed for the S = 1/2 XY and ferro- and antiferromagnetic Heisenberg model in two dimensions using the loop algorithm. Thermodynamic properties of all these models are investigated in wide temperature range.…

We present Monte Carlo simulations of an ultra coarse-grained lipid bilayer with different number of lipids on both leaflets. In the simulations, we employ a new method for measuring the elastic parameters of the membrane, including the…

Over the past decade, experimental microscopy and spectroscopy have made significant progress in the study of the morphological, optical, electronic and transport properties of materials. These developments include higher spatial…

We report extensive simulation studies of phase behaviour in single component systems of particles interacting via a core-softened interparticle potential. Two recently proposed examples of such potentials are considered; one in which the…

Rigid bodies, made of smaller composite beads, are commonly used to simulate anisotropic particles with molecular dynamics or Monte Carlo methods. To accurately represent the particle shape and to obtain smooth and realistic effective pair…

The effects of an externally applied one-dimensional periodic potential on the freezing/melting behaviour of two-dimensional systems of colloidal particles with a short-range attractive interaction are studied using Monte Carlo simulations.…

Thermotropic biaxial nematic phases seem to be rare, but biaxial smectic A phases less so. Here we use molecular field theory to study a simple two-parameter model, with one parameter promoting a biaxial phase and the second promoting…

Many liquids have curves (isomorphs) in their phase diagrams along which structure, dynamics, and some thermodynamic quantities are invariant in reduced units. A substantial part of their phase diagrams is thus effectively one dimensional.…

The recently discovered ferroelectric nematic liquid crystals have been reported to exhibit very large dielectric permittivity values. Here, we report a systematic investigation of the dielectric behavior of a prototypical ferroelectric…

Living tissues experience various external forces on cells, influencing their behaviour, physiology, shape, gene expression, and destiny through interactions with their environment. Despite much research done in this area, challenges remain…

We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et. al. Phys. Rev. Lett. 100,…

We derive the complete flexoelectric tensor, including electronic and lattice-mediated effects, of an arbitrary insulator in terms of the microscopic linear response of the crystal to atomic displacements. The basic ingredient, which can be…

We consider mesoscopic fluctuations of the Coulomb drag coefficient $\rho_D$ in the system of two separated two-dimensional electron gases. It is shown that at low temperatures sample to sample fluctuations of $\rho_D$ exceed its ensemble…

We present an atomistic model of a single nanoparticle with core/shell structure that takes into account its lattice strucutre and spherical geometry, and in which the values of microscopic parameters such as anisotropy and exchange…