相关论文: Shape Phase Transition of Polyampholytes in Two Di…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
We study flexible polymer macromolecules in a crowded (porous) environment, modelling them as self-attracting self-avoiding walks (SASAW) on site-diluted percolative lattices in space dimensions d=2, 3. The influence of stretching force on…
Amorphous carbon (a-C) formed under energetic atom deposition and by cooling of a melt by MD simulations in a wide $P,T$-range is investigated. Simulations of a-C formation with atomic beam deposition reveal a sharp GLC-to-DLC transition…
We study the two-point correlation function in the model of branched polymers and its relation to the critical behaviour of the model. We show that the correlation function has a universal scaling form in the generic phase with the only…
The temperature induced phase transition is investigated in the one-component scalar field \phi^4 model on the lattice. Using the GPU cluster a huge amount of Monte Carlo simulation data is collected for a wide interval of coupling values.…
The quasi-one-dimensional S=1 Heisenberg antiferromagnet with a biquadratic term is investigated at zero temperature by quantum Monte Carlo simulation. As the magnitude of the inter-chain coupling is increased, the system undergoes a phase…
The configurational and melting properties of large two-dimensional clusters of charged classical particles interacting with each other via the Coulomb potential are investigated through the Monte Carlo simulation technique. The particles…
In random heteropolymer globules with short-range interactions between the monomers, freezing takes place at the microscopic length scale only, and can be described by a 1-step replica symmetry breaking. The fact that the long-range Coulomb…
In this work we present the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius of curvature. We use sophisticated Monte Carlo sampling…
The step-growth polymerisation of a mixture of arbitrary-functional monomers is viewed as a time-continuos random graph process with degree bounds that are not necessarily the same for different vertices. The sequence of degree bounds acts…
We investigate high-Reynolds number turbulence in dilute polymer solutions. We show the existence of a critical value of the Reynolds number which separates two different regimes. In the first regime, below the transition, the influence of…
We study phase diagrams of a class of doped quantum dimer models on the square lattice with ground-state wave functions whose amplitudes have the form of the Gibbs weights of a classical doped dimer model. In this dimer model, parallel…
The determination of the coil-globule transition of a polymer is generally based on the reconstruction of scaling laws, implying the need for samples from a rather wide range of different polymer lengths $N$. The spectral point of view…
We present evidence for a phase transition in a theory of 2D causal set quantum gravity which contains a dimensionless non-locality parameter $\epsilon \in (0,1]$. The transition is between a continuum phase and a crystalline phase,…
Poly-N-isopropylacrylamide (PNIPAM) is a thermoresponsive polymer, an essential building block of a large family of soft smart materials. In neat water it undergoes upon heating at $\approx$305K a phase transition from swollen to collapsed…
Mono- and poly-disperse melts of oligomers (average length 10 monomers) of trans-1,4-polyisoprene are simulated in full atomistic detail. The force-field is developed by means of a mixture of ab initio quantum-chemistry and an automatic…
Monte Carlo simulations are used to study the behavior of two polymers under confinement in a cylindrical tube. Each polymer is modeled as a chain of hard spheres. We measure the free energy of the system, F, as a function of the distance…
We study analytically a model of a two dimensional, partially directed, flexible or semiflexible polymer, attached to an attractive wall which is perpendicular to the preferred direction. In addition, the polymer is stretched by an…
The aim of this paper is to investigate the distribution of a continuous polymer in the presence of an attractive finitely supported potential. The most intricate behavior can be observed if we simultaneously and independently vary two…
By means of Monte Carlo simulations, using finite size scaling and conformal transformations, evidences of a topological phase transition in liquid crystals in two dimensions are reported. A paramagnetic phase appears at high temperature…