相关论文: Collapse transition of a square-lattice polymer wi…
The thermodynamic behavior of collapse transition in a fully flexible coarse-grained model of energy polydisperse polymer (EPP), a statistical model of random heteropolymer, is investigated in an implicit solvent by means of molecular…
The unfolding of a polymer below the $\theta$ point when pulled by an external force is studied both in d=2 on the lattice and in $d=3$ off lattice. A ground state analysis of finite length chains shows that the globule unfolds via multiple…
The influence of monomer-monomer interactions on the scaling exponents and shape characteristics of a single polymer chain in a selective solvent is investigated using Langevin dynamics simulations. By systematically increasing the…
We use Monte Carlo simulations to study polymer melts consisting of fully flexible and moderately stiff chains in the bond fluctuation model at a volume fraction $0.5$. In order to reduce the local density fluctuations, we test a…
We study a lattice model of a single magnetic polymer chain, where Ising spins are located on the sites of a lattice self-avoiding walk in $d=2$. We consider the regime where both conformations and magnetic degrees of freedom are dynamic,…
We present an off-lattice statistical model of a single polymer chain in mixed solvent media. Taking into account a polymer conformational entropy, renormalization of solvent composition near the polymer backbone, the universal…
We give evidence of a clear structural signature of the glass transition, in terms of a static correlation length with the same dependence on the system size which is typical of critical phenomena. Our approach is to introduce an external,…
We construct a local interacting quantum dimer model on the square lattice, whose zero-temperature phase diagram is characterized by a line of critical points separating two ordered phases of the valence bond crystal type. On one side, the…
Accurate numerical results are presented for the three-dimensional equivalent-neighbor model on a cubic lattice, for twelve different interaction ranges (coordination number between 18 and 250). These results allow the determination of the…
Molecular dynamics simulation methods are used to study the folding of polymer chains into packed cubic states. The polymer model, based on a chain of linked sites moving in the continuum, includes both excluded volume and torsional…
The equilibrium properties of the lattice fluid with the repulsion between the nearest neighbors on the two-level planar triangular lattice are investigated. The numerical results obtained from the analytical expressions are compared with…
Here using LAMMPS molecular dynamics (MD) software, we simulate polymer translocation in 2 dimensions. We do the simulations for weak and moderate forces and for different pore diameters. Our results show that in both non-equilibrium and…
We consider polymers in which M randomly selected pairs of monomers are restricted to be in contact. Analytical arguments and numerical simulations show that an ideal (Gaussian) chain of N monomers remains expanded as long as M<<N; its mean…
We study the phase transitions of a random copolymer chain with quenched disorder. We apply a replica variational approach based on a Gaussian trial Hamiltonian in terms of the correlation functions of monomer Fourier coordinates. This…
We define the correlation of holes on the triangular lattice under periodic boundary conditions and study its asymptotics as the distances between the holes grow to infinity. We prove that the joint correlation of an arbitrary collection of…
We investigate QCD-like theory with exact center symmetry, with emphasis on the finite-temperature phase transition concerning center and chiral symmetries. On the lattice, we formulate center symmetric $SU(3)$ gauge theory with three…
We determine the phase diagram of mixtures of spherical colloids and neutral nonadsorbing polymers in the thermal crossover region between the $\theta$ point and the good-solvent regime. We use the generalized free-volume theory (GFVT),…
We find and analyse the exact solution of a model of three different polymers with asymmetric contact interactions in two dimensions, modelling a scenario where there are different types of polymers involved. In particular, we find the…
Wetting and drying phenomena are studied for flexible and semiflexible polymer solutions via coarse-grained molecular dynamics simulations and density functional theory calculations. The study is based on the use of Young's equation for the…
The study of the effect of random impurities on the collapse of a flexible polymer in dilute solution has had recent attention with consideration of semi-stiff interacting self-avoiding walks on the square lattice. In the absence of…