Non-universal equilibrium crystal shape results from sticky steps

The anisotropic surface free energy, Andreev surface free energy, and equilibrium crystal shape (ECS) z=z(x,y) are calculated numerically using a transfer matrix approach with the density matrix renormalization group (DMRG) method. The adopted surface model is a restricted solid-on-solid (RSOS) model with "sticky" steps, i.e., steps with a point-contact type attraction between them (p-RSOS model). By analyzing the results, we obtain a first-order shape transition on the ECS profile around the (111) facet; and on the curved surface near the (001) facet edge, we obtain shape exponents having values different from those of the universal Gruber-Mullins-Pokrovsky-Talapov (GMPT) class. In order to elucidate the origin of the non-universal shape exponents, we calculate the slope dependence of the mean step height of "step droplets" (bound states of steps) using the Monte Carlo method, where p=(dz/dx, dz/dy)$, and represents the thermal averag |p| dependence of , we derive a |p|-expanded expression for the non-universal surface free energy f_{eff}(p), which contains quadratic terms with respect to |p|. The first-order shape transition and the non-universal shape exponents obtained by the DMRG calculations are reproduced thermodynamically from the non-universal surface free energy f_{eff}(p).Comment: 31 pages, 21 figure

The upper triangular solutions to the three-state constant quantum Yang-Baxter equation

In this article we present all nonsingular upper triangular solutions to the constant quantum Yang-Baxter equation $R_{j_1j_2}^{k_1k_2}R_{k_1j_3}^{l_1k_3}R_{k_2k_3}^{l_2l_3}= R_{j_2j_3}^{k_2k_3}R_{j_1k_3}^{k_1l_3}R_{k_1k_2}^{l_1l_2}$ in the three state case, i.e. all indices ranging from 1 to 3. The upper triangular ansatz implies 729 equations for 45 variables. Fortunately many of the equations turned out to be simple allowing us to start breaking the problem into smaller ones. In the end we had a total of 552 solutions, but many of them were either inherited from two-state solutions or subcases of others. The final list contains 35 nontrivial solutions, most of them new.Comment: 24 Pages in LaTe

Statistical Mechanical Calculation of Anisotropic Step Stiffness of a Two-Dimensional Hexagonal Lattice Gas Model with Next-Nearest-Neighbor Interactions: Application to Si(111) Surface

We study a two-dimensional honeycomb lattice gas model with both nearest- and next-nearest-neighbor interactions in a staggered field, which describes the surface of stoichiometrically binary crystal. We calculate anisotropic step tension, step stiffness, and equilibrium island shape, by an extended random walk method. We apply the results to Si(111) 7$\times$7 reconstructed surface and high-temperature Si(111) 1$\times$1 surface. We also calculate inter-step interaction coefficient.Comment: revised on May 29 1999: RevTeX v3.1, 10 pages with 9 figures (one figure added

Effects of electron correlations and chemical pressures on superconductivity of β''-type organic compounds

We investigate low-temperature electronic states of the series of organic conductors β'' - [bis(ethylenedithio)tetrathiafulvalene] 4[(H3O)M(C2O4)3] G, where M and G represent trivalent metalions and guest organic molecules, respectively. Our structural analyses reveal that the replacement of M and G give rise to systematic change in the cell parameters, especially in the b-axis length, which has a positive correlation with the superconducting transition temperature Tc. Analysis of temperature and magnetic field dependences of the electrical resistance including the Shubnikov–de Haas oscillations elucidates that the variation of charge disproportionation, the effective mass, and the number of itinerant carriers can be systematically explained by the change of the b-axis length. The changes of the transfer integrals induced by stretching/compressing the b axis are confirmed by the band calculation. We discuss that electron correlations in quarter-filled electronic bands lead to charge disproportionation and the possibility of a novel pairing mechanism of superconductivity mediated by charge degrees of freedom

Vicinal Surface with Langmuir Adsorption: A Decorated Restricted Solid-on-solid Model

We study the vicinal surface of the restricted solid-on-solid model coupled with the Langmuir adsorbates which we regard as two-dimensional lattice gas without lateral interaction. The effect of the vapor pressure of the adsorbates in the environmental phase is taken into consideration through the chemical potential. We calculate the surface free energy $f$, the adsorption coverage $\Theta$, the step tension $\gamma$, and the step stiffness $\tilde{\gamma}$ by the transfer matrix method combined with the density-matrix algorithm. Detailed step-density-dependence of $f$ and $\Theta$ is obtained. We draw the roughening transition curve in the plane of the temperature and the chemical potential of adsorbates. We find the multi-reentrant roughening transition accompanying the inverse roughening phenomena. We also find quasi-reentrant behavior in the step tension.Comment: 7 pages, 12 figures (png format), RevTeX 3.1, submitted to Phys. Rev.

An efficient method of computing impact degrees for multiple reactions in metabolic networks with cycles

The impact degree is a measure of the robustness of a metabolic network against deletion of single or multiple reaction(s). Although such a measure is useful for mining important enzymes/genes, it was defined only for networks without cycles. In this paper, we extend the impact degree for metabolic networks containing cycles and develop a simple algorithm to calculate the impact degree. Furthermore we improve this algorithm to reduce computation time for the impact degree by deletions of multiple reactions. We applied our method to the metabolic network of E. coli, that includes reference pathways, consisting of 3281 reaction nodes and 2444 compound nodes, downloaded from KEGG database, and calculate the distribution of the impact degree. The results of our computational experiments show that the improved algorithm is 18.4 times faster than the simple algorithm for deletion of reaction-pairs and 11.4 times faster for deletion of reaction-triplets. We also enumerate genes with high impact degrees for single and multiple reaction deletions. © 2011 The Institute of Electronics, Information and Communication Engineers.published_or_final_versio

On control of singleton attractors in multiple Boolean networks: integer programming-based method

published_or_final_versionThe Twelfth Asia Pacific Bioinformatics Conference (APBC 2014), Shanghai, China. 17-19 January 2014. In BMC Systems Biology, 2014, v. 8, Suppl. 1, article no. S

Non semi-simple sl(2) quantum invariants, spin case

Invariants of 3-manifolds from a non semi-simple category of modules over a version of quantum sl(2) were obtained by the last three authors in [arXiv:1404.7289]. In their construction the quantum parameter $q$ is a root of unity of order $2r$ where $r>1$ is odd or congruent to $2$ modulo $4$. In this paper we consider the remaining cases where $r$ is congruent to zero modulo $4$ and produce invariants of $3$-manifolds with colored links, equipped with generalized spin structure. For a given $3$-manifold $M$, the relevant generalized spin structures are (non canonically) parametrized by $H^1(M;\mathbb C/2\mathbb Z)$.Comment: 13 pages, 16 figure

Multi-Colour Braid-Monoid Algebras

We define multi-colour generalizations of braid-monoid algebras and present explicit matrix representations which are related to two-dimensional exactly solvable lattice models of statistical mechanics. In particular, we show that the two-colour braid-monoid algebra describes the Yang-Baxter algebra of the critical dilute A-D-E models which were recently introduced by Warnaar, Nienhuis, and Seaton as well as by Roche. These and other solvable models related to dense and dilute loop models are discussed in detail and it is shown that the solvability is a direct consequence of the algebraic structure. It is conjectured that the Yang-Baxterization of general multi-colour braid-monoid algebras will lead to the construction of further solvable lattice models.Comment: 32 page