Universality in adsorbate ordering on nanotube surfaces

Numerically efficient transfer matrix technique for studying statistics of coherent adsorbates on small nanotubes has been developed. In the framework of a realistic microscopic model fitted to the data of ab initio calculations taken from literature sources, the ordering of potassium adsorbate on (6,0) single-walled carbon nanotube has been studied. Special attention has been payed to the phase transition-like abrupt changes seen in the adsorption isotherms at low temperature. It has been found that the behavior during the transitions conforms with the universality hypothesis of the theory of critical phenomena and is qualitatively the same as in the one dimensional Ising model. Quantitatively the critical behavior can be fully described by two parameters. Their qualitative connection with the properties of interphase boundaries is suggested but further research is needed to develop a quantitative theory.Comment: 11 pages, 6 figures; some typos correcte

Transfer matrix solution of the Wako-Sait\^o-Mu\~noz-Eaton model augmented by arbitrary short range interactions

The Wako-Sait{\^o}-Mu\~noz-Eaton (WSME) model, initially introduced in the theory of protein folding, has also been used in modeling the RNA folding and some epitaxial phenomena. The advantage of this model is that it admits exact solution in the general inhomogeneous case (Bruscolini and Pelizzola, 2002) which facilitates the study of realistic systems. However, a shortcoming of the model is that it accounts only for interactions within continuous stretches of native bonds or atomic chains while neglecting interstretch (interchain) interactions. But due to the biopolymer (atomic chain) flexibility, the monomers (atoms) separated by several non-native bonds along the sequence can become closely spaced. This produces their strong interaction. The inclusion of non-WSME interactions into the model makes the model more realistic and improves its performance. In this study we add arbitrary interactions of finite range and solve the new model by means of the transfer matrix technique. We can therefore exactly account for the interactions which in proteomics are classified as medium- and moderately long-range ones.Comment: 15 pages, 2 figure

Accelerated kinetic Monte Carlo algorithm for diffusion limited kinetics

If a stochastic system during some periods of its evolution can be divided into non-interacting parts, the kinetics of each part can be simulated independently. We show that this can be used in the development of efficient Monte Carlo algorithms. As an illustrative example the simulation of irreversible growth of extended one dimensional islands is considered. The new approach allowed to simulate the systems characterized by parameters superior to those used in previous simulations.Comment: 4 pages, 4 figures, to be published in Phys. Rev.

Analytical solution of 1D lattice gas model with infinite number of multiatom interactions

We consider a 1D lattice gas model in which the atoms interact via an infinite number of cluster interactions within contiguous atomic chains plus the next nearest neighbor pairwise interaction. All interactions are of arbitrary strength. An analytical expression for the size distribution of atomic chain lengths is obtained in the framework of the canonical ensemble formalism. Application of the exact solution to the problems of self-assembly and self-organization is briefly discussed.Comment: 12 pages, 3 figure