Thermodynamic properties of binary HCP solution phases from special quasirandom structures

Three different special quasirandom structures (SQS) of the substitutional hcp $A_{1-x}B_x$ binary random solutions ($x=0.25$, 0.5, and 0.75) are presented. These structures are able to mimic the most important pair and multi-site correlation functions corresponding to perfectly random hcp solutions at those compositions. Due to the relatively small size of the generated structures, they can be used to calculate the properties of random hcp alloys via first-principles methods. The structures are relaxed in order to find their lowest energy configurations at each composition. In some cases, it was found that full relaxation resulted in complete loss of their parental symmetry as hcp so geometry optimizations in which no local relaxations are allowed were also performed. In general, the first-principles results for the seven binary systems (Cd-Mg, Mg-Zr, Al-Mg, Mo-Ru, Hf-Ti, Hf-Zr, and Ti-Zr) show good agreement with both formation enthalpy and lattice parameters measurements from experiments. It is concluded that the SQS's presented in this work can be widely used to study the behavior of random hcp solutions.Comment: 15 pages, 8 figure

The structure of Inter-Urban traffic: A weighted network analysis

We study the structure of the network representing the interurban commuting traffic of the Sardinia region, Italy, which amounts to 375 municipalities and 1,600,000 inhabitants. We use a weighted network representation where vertices correspond to towns and the edges to the actual commuting flows among those. We characterize quantitatively both the topological and weighted properties of the resulting network. Interestingly, the statistical properties of commuting traffic exhibit complex features and non-trivial relations with the underlying topology. We characterize quantitatively the traffic backbone among large cities and we give evidences for a very high heterogeneity of the commuter flows around large cities. We also discuss the interplay between the topological and dynamical properties of the network as well as their relation with socio-demographic variables such as population and monthly income. This analysis may be useful at various stages in environmental planning and provides analytical tools for a wide spectrum of applications ranging from impact evaluation to decision-making and planning support.Comment: 12 pages, 12 figures, 4 tables; 1 missing ref added and minor revision

Emergent topological and dynamical properties of a real inter-municipal commuting network - perspectives for policy-making and planning

A variety of phenomena can be explained by means of a description of the features of their underlying network structure. In addition, a large number of scientists (see the reviews, eg. Barabasi, 2002; Watts, 2003) demonstrated the emergence of large-scale properties common to many different systems. These various results and studies led to what can be termed as the “new science of complex networks” and to emergence of the new “age of connectivity”. In the realms of urban and environmental planning, spatial analysis and regional science, many scientists have shown in the past years an increasing interest for the research developments on complex networks. Their studies range from theoretical statements on the need to apply complex network analysis to spatial phenomena (Salingaros, 2001) to empirical studies on quantitative research about urban space syntax (Jiang and Claramunt, 2004). Concerning transportation systems analysis, interesting results have been recently obtained on subway networks (Latora and Marchiori, 2002; Gastner and Newman, 2004) and airports (Barrat et al, 2004). In this paper, we study the inter-municipal commuting network of Sardinia (Italy). In this complex weighted network, the nodes correspond to urban centres while the weight of the links between two municipalities represents the flow of individuals between them. Following the analysis developed by Barrat et al. (2004), we investigate the topological and dynamical properties of this complex weighted network. The topology of this network can be accurately described by a regular small-world network while the traffic structure is very rich and reveals highly complex traffic patterns. Finally, in the perspective of policy-making and planning, we compare the emerging network behaviors with the geographical, social and demographical aspects of the transportation system.

Transport across cell membranes is modulated by lipid order

This study measures the uptake of various dyes into HeLa cells and determines simultaneously the degree of membrane lipid chain order on a single cell level by spectral analysis of the membrane-embedded dye Laurdan. First, this study finds that the mean generalized polarization (GP) value of single cells varies within a population in a range that is equivalent to a temperature variation of 9 K. This study exploits this natural variety of membrane order to examine the uptake as a function of GP at constant temperature. It is shown that transport across the cell membrane correlates with the membrane phase state. Specifically, higher membrane transport with increasing lipid chain order is observed. As a result, hypothermal-adapted cells with reduced lipid membrane order show less transport. Environmental factors influence transport as well. While increasing temperature reduces lipid order, it is found that locally high cell densities increase lipid order and in turn lead to increased dye uptake. To demonstrate the physiological relevance, membrane state and transport during an in vitro wound healing process are analyzed. While the uptake within a confluent cell layer is high, it decreases toward the center where the membrane lipid chain order is lowest

Phase Behavior of Colloidal Superballs: Shape Interpolation from Spheres to Cubes

The phase behavior of hard superballs is examined using molecular dynamics within a deformable periodic simulation box. A superball's interior is defined by the inequality $|x|^{2q} + |y|^{2q} + |z|^{2q} \leq 1$, which provides a versatile family of convex particles ($q \geq 0.5$) with cube-like and octahedron-like shapes as well as concave particles ($q < 0.5$) with octahedron-like shapes. Here, we consider the convex case with a deformation parameter q between the sphere point (q = 1) and the cube (q = 1). We find that the asphericity plays a significant role in the extent of cubatic ordering of both the liquid and crystal phases. Calculation of the first few virial coefficients shows that superballs that are visually similar to cubes can have low-density equations of state closer to spheres than to cubes. Dense liquids of superballs display cubatic orientational order that extends over several particle lengths only for large q. Along the ordered, high-density equation of state, superballs with 1 < q < 3 exhibit clear evidence of a phase transition from a crystal state to a state with reduced long-ranged orientational order upon the reduction of density. For $q \geq 3$, long-ranged orientational order persists until the melting transition. The width of coexistence region between the liquid and ordered, high-density phase decreases with q up to q = 4.0. The structures of the high-density phases are examined using certain order parameters, distribution functions, and orientational correlation functions. We also find that a fixed simulation cell induces artificial phase transitions that are out of equilibrium. Current fabrication techniques allow for the synthesis of colloidal superballs, and thus the phase behavior of such systems can be investigated experimentally.Comment: 33 pages, 14 figure

Strong disorder RG approach of random systems

There is a large variety of quantum and classical systems in which the quenched disorder plays a dominant r\^ole over quantum, thermal, or stochastic fluctuations : these systems display strong spatial heterogeneities, and many averaged observables are actually governed by rare regions. A unifying approach to treat the dynamical and/or static singularities of these systems has emerged recently, following the pioneering RG idea by Ma and Dasgupta and the detailed analysis by Fisher who showed that the Ma-Dasgupta RG rules yield asymptotic exact results if the broadness of the disorder grows indefinitely at large scales. Here we report these new developments by starting with an introduction of the main ingredients of the strong disorder RG method. We describe the basic properties of infinite disorder fixed points, which are realized at critical points, and of strong disorder fixed points, which control the singular behaviors in the Griffiths-phases. We then review in detail applications of the RG method to various disordered models, either (i) quantum models, such as random spin chains, ladders and higher dimensional spin systems, or (ii) classical models, such as diffusion in a random potential, equilibrium at low temperature and coarsening dynamics of classical random spin chains, trap models, delocalization transition of a random polymer from an interface, driven lattice gases and reaction diffusion models in the presence of quenched disorder. For several one-dimensional systems, the Ma-Dasgupta RG rules yields very detailed analytical results, whereas for other, mainly higher dimensional problems, the RG rules have to be implemented numerically. If available, the strong disorder RG results are compared with another, exact or numerical calculations.Comment: review article, 195 pages, 36 figures; final version to be published in Physics Report

Chemical-bond Approach To The Electric Susceptibility Of Semiconductors

A simple model-independent method is developed to relate chemical bonds to the dielectric constant and other physical properties of tetrahedral semiconductors with the minimum number of parameters possible. For this purpose, we express 1(0), via the Kramers-Kronig relation, as a function of the zeroth and the first moments of 2(). The first moment is determined by the f sum rule while the zeroth moment can be calculated if the valence- and conduction-band wave functions are known. Since conduction bands are inadequately described by models that are analytically simple, we bypass the problem by using completeness to eliminate the conduction band entirely. The result is an expression for 1(0) which involves only valenceband wave functions. Since working in a localized representation is more convenient than in the Bloch representation, we introduce a generalized Wannier function of bonding character for the valence bands. Realizing that this is appropriate for only those semiconductors like diamond in which the bonding-antibonding coupling is weak, we build into our Wannier function the lacking antibonding character via a power-series expansion in the quantity V1V2 (Hall-Weaire parameters). Using Herman-Skillman values for the atomic orbitals, we obtain numerical results that agree with experiment to about 10%. © 1978 The American Physical Society.1741843185

Permutation Symmetric Critical Phases in Disordered Non-Abelian Anyonic Chains

Topological phases supporting non-abelian anyonic excitations have been proposed as candidates for topological quantum computation. In this paper, we study disordered non-abelian anyonic chains based on the quantum groups $SU(2)_k$, a hierarchy that includes the $\nu=5/2$ FQH state and the proposed $\nu=12/5$ Fibonacci state, among others. We find that for odd $k$ these anyonic chains realize infinite randomness critical {\it phases} in the same universality class as the $S_k$ permutation symmetric multi-critical points of Damle and Huse (Phys. Rev. Lett. 89, 277203 (2002)). Indeed, we show that the pertinent subspace of these anyonic chains actually sits inside the ${\mathbb Z}_k \subset S_k$ symmetric sector of the Damle-Huse model, and this ${\mathbb Z}_k$ symmetry stabilizes the phase.Comment: 13 page