相关论文: Mixing-induced anisotropic correlations in molecul…

We introduce a simple theoretical model that describes the interaction of light with optical metamaterials in terms of interfering optical plane waves. In this model, a metamaterial is considered to consist of planar arrays of densely…

We consider layered decorated honeycomb lattices at two-thirds filling, as realized in some trinuclear organometallic complexes. Localized $S=1$ moments with a single-spin anisotropy emerge from the interplay of Coulomb repulsion and spin…

We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their non-planar atomic structure onto a two-color 2D triangular tiling pattern. In the buckled structure of a phosphorene monolayer, we…

Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via…

We use Monte-Carlo simulations to study aging phenomena and the occurence of spinglass phases in systems of single-domain ferromagnetic nanoparticles under the combined influence of dipolar interaction and anisotropy energy, for different…

Within a phenomenological approach the density of induced uniaxial anisotropy in nanostructures K(r) is treated as a physical field additional to the magnetization M(r). The equilibrium distributions of K(r) are formed under the influence…

Polymeric particles are strong candidates for designing artificial materials capable of emulating the complex twisting-based functionality observed in biological systems. In this letter, we provide the first detailed investigation of the…

Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…

A material's properties and functionalities are determined by its chemical constituents and the atomic arrangement in which they crystallize. For the recently discovered pigment YIn$_{1-x}$Mn$_x$O$_3$, for instance, it had been surmised…

We present a theory which explains how to achieve an enhancement of nonlinear effects in a thin layer of nonlinear medium by involving a planar periodic structure specially designed to bear a trapped-mode resonant regime. In particular, the…

Collections of interacting, self-propelled particles have been extensively studied as minimal models of many living and synthetic systems from bird flocks to active colloids. However, the influence of active rotations in the absence of…

We investigate the phase diagram of a mixed spin-1/2--spin-1 Ising system in the presence of quenched disordered anisotropy. We carry out a mean-field and a standard self-consistent Bethe--Peierls calculation. Depending on the amount of…

Pentacene is known to grow on isotropic silicon oxide surfaces in a substrate-induced phase with fiber textured crystallites. This growth study reports on the growth of pentacene crystallites on uniaxially oriented surfaces. Silica…

In this paper, we introduce tensor involved peridynamics, a unified framework for simulating both isotropic and anisotropic materials. While traditional peridynamics models effectively simulate isotropic materials, they face challenges with…

A simple prototypical model of aromatic pi-pi stacking system -- benzene sandwich dimer is investigated by ab initio calculations based on second-order Moller-Plesset perturbation theory (MP2) and Minnesota hybrid functional M06-2X.

We computationally studied the phase behavior and dynamics of binary mixtures of active particles, where each 'species' had distinct activities leading to distinct velocities, fast and slow. We obtained phase diagrams demonstrating…

Metal-organic hybrid structures have been demonstrated a versatile platform to study primary aspects of light-matter interaction by means of emerging states comprising excitonic and plasmonic properties. Here we are studying the wave-vector…

Controlled micro- to meso-scale porosity is a common materials design goal with possible applications ranging from molecular gas adsorption to particle size selective permeability or solubility. Here, we use inverse methods of statistical…

We present a scaled particle density functional study of two-dimensional binary mixtures of hard convex particles with one or both species being ellipses. In particular, we divide our study into two parts. The first part is devoted to the…

The total scattering structure factors of pure liquid n-pentanol, pentanal, and 5 of their mixtures, as determined by high energy synchrotron X-ray diffraction experiments, are presented. For the interpretation of measured data, molecular…