相关论文: Surface Induced Ordering on Model Liquid Crystalli…
We consider the ordered and disordered dynamics for monolayers of rolling self-interacting particles with an offset center of mass and a non-isotropic inertia tensor. The rolling constraint is considered as a simplified model of a very…
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…
We study the behavior of negatively charged colloids with two positively charged polar caps close to a planar patterned surface. The competition between the different anisotropic components of the particle-particle interaction patterns is…
We consider a nematic liquid crystal confined by two parallel planar interfaces, one being laterally homogeneous and the other provided by a substrate endowed with a periodic chemical stripe pattern. Based on continuum theory we analyze the…
We investigate - with Monte Carlo computer simulations - the phase behaviour of dimeric colloidal molecules on periodic substrates with square symmetry. The molecules are formed in a two-dimensional suspension of like charged colloids…
We carry out Monte Carlo simulations to investigate the effect of molecular shape on liquid-crystal order. In our approach, each model mesogen consists of several soft spheres bonded rigidly together. The arrangement of the spheres may be…
The ability to engineer localized surface plasmon resonances at large scale usually relies on precise nanoscale patterning. Here, we demonstrate that mid-infrared plasmonic responses can instead emerge in unpatterned polysilicon films…
We construct the complete structural phase diagram of polymer adsorption at substrates with attractive stripe-like patterns in the parameter space spanned by the adsorption affinity of the stripes and temperature. Results were obtained by…
When short-range attractions are combined with long-range repulsions in colloidal particle systems, complex microphases can emerge. Here, we study a system of isotropic particles which can form lamellar structures or a disordered fluid…
We analyze the structural behavior of a single polymer chain grafted to an attractive, flexible surface. Our model is composed of a coarse-grained bead-and-spring polymer and a tethered membrane. By means of extensive parallel tempering…
We present LayerPCM, an extension of the polarizable-continuum model coupled to real-time time-dependent density-functional theory for an efficient and accurate description of the electrostatic interactions between molecules and…
Components of technical systems and devices often require self-lubricating properties, which are implemented by means of dry lubricants. However, continuous lubricant coatings on the components' surfaces often suffer from poor adhesion,…
We consider the large-time dynamics of one-dimensional processes involving adsorption and desorption of extended hard-core particles (dimers, trimers,\,$\cdots,k$-mers), while interacting through their constituent monomers. Desorption can…
We investigate the folding and forced-unbinding transitions of adsorbed semiflexible polymer chains using theory and simulations. These processes describe biologically relevant phenomena that include adhesive interactions between proteins…
In this work the effect of amorphous substrate on crystallization is addressed. By performing Monte-Carlo simulations of solid on solid models we explore the effect of the disorder on crystal growth. The disorder is introduced via local…
Using extensive classical and quantum Monte Carlo simulations, we investigate the ground-state phase diagram of the fully frustrated transverse field Ising model on the square lattice. We show that pure columnar order develops in the…
We introduce a one-dimensional plaquette orbital model with a topology of a ladder and alternating interactions between $x$ and $z$ pseudospin components along both the ladder legs and on the rungs. We show that it is equivalent to an…
A system of $2\times d$ hard rectangles on square lattice is known to show four different phases for $d \geq 14$. As the covered area fraction $\rho$ is increased from $0$ to $1$, the system goes from low-density disordered phase, to…
The equilibrium properties of hard rod monolayers are investigated in a lattice model (where position and orientation of a rod are restricted to discrete values) as well as in an off--lattice model featuring spherocylinders with continuous…
The chemical and electronic properties of surfaces and interfaces are important for many technologically relevant processes, be it in information processing, where interfacial electronic properties are crucial for device performance, or in…