Monte Carlo simulations of interfaces in polymer blends

We review recent simulation studies of interfaces between immiscible homopolymer phases. Special emphasis is given to the presentation of efficient simulation techniques and powerful methods of data analysis, such as the analysis of capillary wave spectra. Possible reasons for polymer incompatibility and ways to relate model dependent interaction parameters to an effective Flory Huggins parameter are discussed. Various interfaces are then considered and characterised with respect to their microscopic structure and thermodynamic properties. In particular, interfaces between homopolymers of equal or disparate stiffness are studied, interfaces containing diblock copolymers, and interfaces confined in thin films. The results are related to the phase behaviour of ternary homopolymer/copolymer systems, and to wetting transitions in thin films.Comment: To appear in Annual Reviews of Computational Physics, edt. D. Stauffe

Combined Interpolation Scheme for Transition and Noble Metals

Combined interpolation scheme for calculating energy bands of transition and noble metal

The secondary structure of RNA under tension

We study the force-induced unfolding of random disordered RNA or single-stranded DNA polymers. The system undergoes a second order phase transition from a collapsed globular phase at low forces to an extensive necklace phase with a macroscopic end-to-end distance at high forces. At low temperatures, the sequence inhomogeneities modify the critical behaviour. We provide numerical evidence for the universality of the critical exponents which, by extrapolation of the scaling laws to zero force, contain useful information on the ground state (f=0) properties. This provides a good method for quantitative studies of scaling exponents characterizing the collapsed globule. In order to get rid of the blurring effect of thermal fluctuations we restrict ourselves to the groundstate at fixed external force. We analyze the statistics of rearrangements, in particular below the critical force, and point out its implications for force-extension experiments on single molecules.Comment: to be published in Europhys. J.

Quantum Google in a Complex Network

We investigate the behavior of the recently proposed quantum Google algorithm, or quantum PageRank, in large complex networks. Applying the quantum algorithm to a part of the real World Wide Web, we find that the algorithm is able to univocally reveal the underlying scale-free topology of the network and to clearly identify and order the most relevant nodes (hubs) of the graph according to their importance in the network structure. Moreover, our results show that the quantum PageRank algorithm generically leads to changes in the hierarchy of nodes. In addition, as compared to its classical counterpart, the quantum algorithm is capable to clearly highlight the structure of secondary hubs of the network, and to partially resolve the degeneracy in importance of the low lying part of the list of rankings, which represents a typical shortcoming of the classical PageRank algorithm. Complementary to this study, our analysis shows that the algorithm is able to clearly distinguish scale-free networks from other widespread and important classes of complex networks, such as Erd\H{o}s-R\'enyi networks and hierarchical graphs. We show that the ranking capabilities of the quantum PageRank algorithm are related to an increased stability with respect to a variation of the damping parameter $\alpha$ that appears in the Google algorithm, and to a more clearly pronounced power-law behavior in the distribution of importance among the nodes, as compared to the classical algorithm. Finally, we study to which extent the increased sensitivity of the quantum algorithm persists under coordinated attacks of the most important nodes in scale-free and Erd\H{o}s-R\'enyi random graphs

Gender Matters! Analyzing Global Cultural Gender Preferences for Venues Using Social Sensing

Gender differences is a phenomenon around the world actively researched by social scientists. Traditionally, the data used to support such studies is manually obtained, often through surveys with volunteers. However, due to their inherent high costs because of manual steps, such traditional methods do not quickly scale to large-size studies. We here investigate a particular aspect of gender differences: preferences for venues. To that end we explore the use of check-in data collected from Foursquare to estimate cultural gender preferences for venues in the physical world. For that, we first demonstrate that by analyzing the check-in data in various regions of the world we can find significant differences in preferences for specific venues between gender groups. Some of these significant differences reflect well-known cultural patterns. Moreover, we also gathered evidence that our methodology offers useful information about gender preference for venues in a given region in the real world. This suggests that gender and venue preferences observed may not be independent. Our results suggests that our proposed methodology could be a promising tool to support studies on gender preferences for venues at different spatial granularities around the world, being faster and cheaper than traditional methods, besides quickly capturing changes in the real world

A gradient-forming MipZ protein mediating the control of cell division in the magnetotactic bacterium Magnetospirillum gryphiswaldense

Cell division needs to be tightly regulated and closely coordinated with other cellular processes to ensure the generation of fully viable offspring. Here, we investigate division site placement by the cell division regulator MipZ in the alphaproteobacterium Magnetospirillum gryphiswaldense, a species that forms linear chains of magnetosomes to navigate within the geomagnetic field. We show that M. gryphiswaldense contains two MipZ homologs, termed MipZ1 and MipZ2. MipZ2 localizes to the division site, but its absence does not cause any obvious phenotype. MipZ1, by contrast, forms a dynamic bipolar gradient, and its deletion or overproduction cause cell filamentation, suggesting an important role in cell division. The monomeric form of MipZ1 interacts with the chromosome partitioning protein ParB, whereas its ATP-dependent dimeric form shows non-specific DNA-binding activity. Notably, both the dimeric and, to a lesser extent, the monomeric form inhibit FtsZ polymerization in vitro. MipZ1 thus represents a canonical gradient-forming MipZ homolog that critically contributes to the spatiotemporal control of FtsZ ring formation. Collectively, our findings add to the view that the regulatory role of MipZ proteins in cell division is conserved among many alphaproteobacteria. However, their number and biochemical properties may have adapted to the specific needs of the host organism

The degradation of MgB2 under ambient environment

The superconductivities of samples prepared by several procedures were found to degrade under ambient environment. The degradation mechanism was studied by measuring the change of surface chemical composition of dense MgB2 pellets (prepared by hot isostatic pressure, HIPed) under atmospheric exposure using X-ray Photoelectron Spectroscopy (XPS). Results showed that samples with poor connectivity between grains and with smaller grain sizes degrade with time when exposed to ambient conditions. In these samples, the Tc did not change with time, but the superconducting transition became broader and the Meissner fraction decreased. In contrast, our well-sintered and the HIPed samples remained stable for several months under ambient condition. The degradation was found to be related to surface decomposition as observed by XPS. We observed the formation of oxidized Mg, primarily in the form of a Mg hydroxide, the increase of C and O contents, and the reduction of B concentration in the surface layer of MgB2 samples.Comment: 15 pages, 3 figure