Related papers: Phase diagram for a single flexible Stockmayer pol…
We study the relaxation dynamics of a coarse-grained polymer chain at different degrees of stretching by both analytical means and numerical simulations. The macromolecule is modelled as a string of beads, connected by anharmonic springs,…
A long flexible neutral polymer chain immersed in a poor solvent and interacting with an impenetrable attractive surface exhibits a phase known as surface attached globule ({\bf SAG}) in addition to other adsorbed and desorbed phases. In…
We investigate the cooperative effects of a single finite chain of monomers near an attractive substrate by first constructing a conformational pseudo-phase diagram based on the thermal fluctuations of energetic and structural quantities.…
We study ground states of a hybrid system consisting of a polymer and an attractive nanowire by means of computer simulations. Depending on structural and energetic properties of the substrate, we find different adsorbed polymer…
The disordered random-anisotropy magnetic nanoparticle systems with competing dipolar interactions and ferromagnetic exchange couplings are investigated by Monte Carlo simulations. Superspin glass (SSG) and superferromagnetic (SFM)…
Supersolid phases, in which a superfluid component coexists with conventional crystalline long range order, have recently attracted a great deal of attention in the context of both solid helium and quantum spin systems. Motivated by recent…
Recent advances in Generalized Ensemble simulations and microcanonical analysis allowed the investigation of structural transitions in polymer models over a broad range of local bending and torsion strengths. It is reasonable to argue that…
Continuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found…
We investigate the dynamics and the pathways of the collapse of a single, semiflexible polymer in a poor solvent via 3-D Brownian Dynamics simulations. Earlier work indicates that the condensation of semiflexible polymers generically…
Using a combination of the replica-exchange Monte Carlo algorithm and the multicanonical method, we investigate the influence of bending stiffness on the conformational phases of a bead-stick homopolymer model and present the pseudo-phase…
We use a standard bead-spring model and molecular dynamics simulations to study the static properties of symmetric linear multiblock copolymer chains and their blocks under poor solvent conditions in a dilute solution from the regime close…
In this report we have analyzed a simple effective model for a description of magnetically ordered insulators. The Hamiltonian considered consists of the effective on-site interaction (U) and the intersite Ising-like magnetic exchange…
Tight-binding model of the AA-stacked bilayer graphene with screened electron-electron interactions has been studied using the Hybrid Monte Carlo simulations on the original double-layer hexagonal lattice. Instantaneous screened Coulomb…
The phase behaviour of two-component bottle-brush polymers with fully flexible backbones under poor solvent conditions is studied via molecular-dynamics simulations, using a coarse-grained bead-spring model and side chains of up to $N=40$…
A simple effective model for a description of magnetically ordered insulators is analysed. The tight binding Hamiltonian consists of the effective on-site interaction (U) and intersite magnetic exchange interactions (Jz, Jxy) between…
Similarly-charged polymers in solution, known as polyelectrolytes, are known to form aggregated structures in the presence of oppositely charged counterions. Understanding the dependence of the equilibrium phases and the dynamics of the…
Motivated by dimensional crossover in layered organic ${\kappa}$ salts, we determine the phase diagram of a system of four periodically coupled Hubbard chains with frustration at half filling as a function of the interchain hopping…
Histogram Monte-Carlo simulation results are presented for the magnetic-field -- temperature phase diagram of the Ising model on a stacked triangular lattice with antiferromagnetic intraplane and ferromagnetic interplane interactions.…
Phase diagram of microcanonical ensembles of self-attracting particles is studied for two types of short-range potential regularizations: self-gravitating fermions and classical particles interacting via attractive soft…
A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…