相关论文: Orientational orders in binary mixtures of hard HG…
The microscopic modeling of spin-orbit entangled $j=1/2$ Mott insulators such as the layered hexagonal Iridates Na$_2$IrO$_3$ and Li$_2$IrO$_3$ has spurred an interest in the physics of Heisenberg-Kitaev models. Here we explore the effect…
We use computer simulations and simple theoretical models to analyze the morphologies that result when rod-like particles end-attach onto a curved surface, creating a finite-thickness monolayer aligned with the surface normal. This geometry…
We investigate numerically the behaviour of a phase-separating mixture of a blue phase I liquid crystal with an isotropic fluid. The resulting morphology is primarily controlled by an inverse capillary number, $\chi$, setting the balance…
The process of crystallization is often understood in terms of the fundamental microstructural elements of the crystallite being formed, such as surface orientation or the presence of defects. Considerably less is known about the role of…
We study the effect of thermal fluctuations in the XY-model on a surface with non vanishing mean curvature and zero Gaussian curvature. Unlike Gaussian curvature that typically frustrates orientational order, the extrinsic curvature of the…
The mass transport in soft-sphere mixtures of small and big particles as well as in the disordered Lorentz gas (LG) model is studied using molecular dynamics (MD) computer simulations. The soft-sphere mixture shows anomalous small-particle…
We develop scenarios for orientational ordering of an in-plane system of small flat octupolar molecules at the low-concentration limit, aiming towards nonlinear-optical (NLO) applications at room temperatures. The octupoles interact with…
The effect of confinement on the phase behaviour and structure of fluids made of biaxial hard particles (cuboids) is examined theoretically by means of Onsager second-order virial theory in the limit where the long particle axes are frozen…
We present diffusion Monte Carlo (DMC) results on a new metastable, superfluid phase above the crystal ground state in two-dimensional 4He at densities > 0.065 1/A^2. The state is anisotropic with hexatic orbital order. This implies that…
There are at least three fundamental states of matter, depending upon temperature and pressure: gas, liquid, and solid (crystal). These states are separated by first-order phase transitions between them. In both gas and liquid phases the…
Two-component mixtures in optical lattices reveal a rich variety of different phases. We employ an exact diagonalization method to obtain the relevant correlation functions in hexagonal optical lattices to characterize those phases. We…
We examine the ordering behavior of hard plate-like particle in a very narrow slit-like pore using the Parsons-Lee density functional theory and the restricted orientation approximation. We observe that the plates are orientationally…
Amorphous grain-boundary (GB) complexions in thermally stable nanocrystalline alloys are commonly assumed to be structurally homogeneous, yet their disordered nature makes them susceptible to local short-range ordering (SRO). The influence…
Relying on symmetry considerations appropriate for helical biopolymers such as DNA and filamentous actin, we argue that crystalline packings of mutually repulsive helical macromolecules fall principally into two categories: unfrustrated…
We develop a semi-analytic model to investigate how accretion onto wide low-mass binary stars can result in a close high-mass binary system. The key ingredient is to allow mass accretion while limiting the gain in angular momentum. We…
Using a modified Lennard-Jones model for anisotropic particles, we present results of molecular dynamics simulation in two dimensions. In one-component systems, we find crystallization, a Berezinskii-Kosterlitz-Thouless phase, and a…
Few-layer flakes of hexagonal boron nitride were prepared by ultrasonication of bulk crystals and agglomerated to form thin films. The transmission and reflection spectra of the thin films were measured. The spectral dependences of the…
We report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interacting via a spherically symmetric potential. Upon isochoric cooling…
The mixing of organic cations represents yet another direction to explore in the field of chiral organic-inorganic hybrid metal halides (OIHMH). Here, we perform structural optimizations, electronic structures, and non-linear optical (NLO)…
The behaviour of materials under spatial confinement is sensitively dependent on the nature of the confining boundaries. In two dimensions, confinement within a hard circular boundary inhibits the hexagonal ordering observed in bulk systems…