Related papers: The properties of fully flexible Lennard-Jones cha…
An off-lattice Monte Carlo algorithm for solutions of equilibrium polymers (EP) is proposed. At low and moderate densities this is shown to reproduce faithfully the (static) properties found recently for flexible linear EP using a lattice…
We explore the effect of local constraints on one-dimensional bosonic and fermionic ground state phases. Motivated by recent experiments on Rydberg chains, we constrain the occupation of neighboring sites in known phases of matter. Starting…
Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a two-dimensional system of particles with two bonding sites that, by decreasing temperature or increasing density, polymerize…
The location of the Frenkel line (FL) of a Lennard-Jones fluid which demarcates two distinct physical states, liquidlike and gaslike within the supercritical regime, has been established through molecular dynamics (MD) simulations of the…
We consider dynamics of an isolated polymer chain with a chemically active end-bead on a 2D solid substrate containing immobile, randomly placed chemically active sites (traps). For a particular situation when the end-bead can be…
The isomorph theory provides an explanation for the so-called power law density scaling which has been observed in many molecular and polymeric glass formers, both experimentally and in simulations. Power law density scaling (relaxation…
Distinct from the $\text{SU}(2)$ case, the fermionic systems with $\text{SU}(N)$ symmetry are expected to exhibit novel physics, such as exotic singlet formation. Using the density matrix renormalization group technique, we obtain the…
We report on a computer simulation study of a Lennard-Jones liquid confined in a narrow slit pore with tunable attractive walls. In order to investigate how freezing in this system occurs, we perform an analysis using different order…
Static packings of perfectly rigid particles are investigated theoretically and numerically. The problem of finding the contact forces in such packings is formulated mathematically. Letting the values of the contact forces define a vector…
The mobility of polymer chains in perfect polyethylene (PE) crystal was calculated as a function of temperature and chain length through Molecular dynamics (MD) in united atom approximation. The results demonstrate that the chain mobility…
The band theory of solids is arguably the most successful theory of condensed matter physics, providing the description of the electronic energy levels in a variety of materials. Electronic wavefunctions obtained from the band theory allow…
We consider a fully directed self-avoiding walk model on a cubic lattice to mimic the conformations of an infinitely long confined flexible polymer chain; and the confinement condition is achieved by two parallel athermal plates. The…
The lattice cluster theory (LCT) for strongly interacting, self-assembling telechelic polymers provides a theoretical tool that enables establishing the connections between important microscopic molecular details of self-assembling polymers…
A density functional study of the structure of a layer formed by chain molecules pinned to a solid surface is presented. The chains are modeled as freely joined spheres. Segments and all components interact via Lennard-Jones (12-6)…
We show that the relative stability of the nematic tetratic phase with respect to the usual uniaxial nematic phase can be greatly enhanced by clustering effects. Two--dimensional rectangles of aspect ratio $\kappa$ interacting via hard…
Coupling dynamical charges to gauge fields can result in highly non-local interactions with a linear confining potential. As a consequence, individual particles bind into mesons which, in one dimension, become the new constituents of…
The wormlike chain model of stiff polymers is a nonlinear $\sigma$-model in one spacetime dimension in which the ends are fluctuating freely. This causes important differences with respect to the presently available theory which exists only…
Exact diagonalizations indicate that the effective 1-dimensional behavior (sliding Luttinger liquid phase) of the frustrated spin-1/2 crossed chain model, predicted by Starykh, Singh and Levine [Phys. Rev. Lett. 88, 167203 (2002)], persists…
We develop a methodology for the calculation of surface free energies based on the probability distribution of a wandering interface. Using a simple extension of the NpT sampling, we allow the interface area to randomly probe the available…
The lattice cluster theory (LCT) for semiflexible linear telechelic melts, developed in paper I, is applied to examine the influence of chain stiffness on the average degree of self-assembly and the basic thermodynamic properties of linear…