Related papers: Pi-stacking in charged thiophene oligomers
Recent experimental realizations of bilayer boron materials motivated us to study the structure and properties of $\alpha$-sheet-based bilayer borophenes with interlayer covalent bonds. As shown here, at least three stacking variations are…
Stackings in graphene have a pivotal role in properties to be discussed in the future, as seen in the recently found superconductivity of twisted bilayer graphene. Beyond bilayer graphene, the stacking order of multilayer graphene can be…
We study steady-state thin films on a chemically heterogeneous substrates of finite size, subject to no-flux boundary conditions. Based on the structure of the bifurcation diagram, we classify the one-dimensional steady-state solutions that…
We have studied the thermodynamics of isolated homopolymer chains of varying stiffness using a lattice model. A complex phase behaviour is found; phases include chain-folded `crystalline' structures, the disordered globule and the coil. It…
We investigate an oscillator linearly coupled with a one-dimensional Ising system. The coupling gives rise to drastic changes both in the oscillator statics and dynamics. Firstly, there appears a second order phase transition, with the…
Using diffusion Monte Carlo (DMC) and density functional theory (DFT) calculations, we examined the structural stability and interlayer binding properties of PtSe$_2$, a representative transition metal dichalcogenide (TMD) with strong…
We consider a class of matrices with a specific structure that arises, among other examples, in dynamic models for biological regulation of enzyme synthesis (Tyson and Othmer, 1978). We first show that a stability condition given in (Tyson…
Graphene epoxide, with oxygen atoms lining up on pristine graphene sheets, is investigated theoretically in this Letter. Two distinct phases: metastable clamped and unzipped structures are unveiled in consistence with experiments. In the…
The pressure-induced polymorphism of binary octect compounds has long been considered a settled problem although the possible atomic disordering of some phases remains a puzzling observation. Taking GaP as a case study, we conclude, through…
We present our density functional results of the geometry, electronic structure and dissociation energy of Ti_8C_12 dimer. We show that as opposed to the currently held view that Ti_8C_12 are highly stable monodispersed clusters, the…
The dynamics of a dimer coupled to two different environments each in a spin star configuration under the influence of decoherence is studied. The exact analytical expression for the transition probability in the dimer system is obtained…
We resolve issues that have plagued reliable prediction of relative phase stability for solid-solutions and compounds. Due to its commercially important phase diagram, we showcase Al-Li system because historically density-functional theory…
When studying out-of-equilibrium systems, one often excites the dynamics in some degrees of freedom while removing the excitation in others through damping. In order for the system to converge to a statistical steady state, the dynamics…
Ordered phases emerged in active suspensions of polar swimmers are under long-wavelength hydrodynamic mediated instabilities. In this letter, we show that chemical molecules dissolved in aqueous suspensions, as an unavoidable part of most…
A set of coupled complex Ginzburg-landau type amplitude equations which operates near a Hopf-Turing instability boundary is analytically investigated to show localized oscillatory patterns. The spatial structure of those patterns are the…
We study the steady uniphase and multiphase solutions of the discretized nonlinear damped wave equation.Conditions for the stability abd instability of the steady solutions are given;in the instability case the linear stable and unstable…
We investigate stability and dynamics of higher-order solitary waves in quadratic media, which have a central peak and one or more surrounding rings. We show existence of two qualitatively different behaviours. For positive phase mismatch…
We perform numerical simulations of isolated, partially active polymers, driven out-of-equilibrium by a fraction of their monomers. We show that, if the active beads are all gathered in a contiguous block, the position of the section along…
We present a simple model of alignment of a large number of rigid bodies (modeled by rotation matrices) subject to internal rotational noise. The numerical simulations exhibit a phenomenon of first order phase transition with respect the…
We study the equilibrium dynamics of a single polymer chain under good solvent condition. Special emphasis is laid on varying the drag force experienced by the chain while it moves. To this end we model the solvent in a mesoscopic manner by…