An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range.

Published versio

Irreversible flow of vortex matter: polycrystal and amorphous phases

We investigate the microscopic mechanisms giving rise to plastic depinning and irreversible flow in vortex matter. The topology of the vortex array crucially determines the flow response of this system. To illustrate this claim, two limiting cases are considered: weak and strong pinning interactions. In the first case disorder is strong enough to introduce plastic effects in the vortex lattice. Diffraction patterns unveil polycrystalline lattice topology with dislocations and grain boundaries determining the electromagnetic response of the system. Filamentary flow is found to arise as a consequence of dislocation dynamics. We analize the stability of vortex lattices against the formation of grain boundaries, as well as the steady state dynamics for currents approaching the depinning critical current from above, when vortex motion is mainly localized at the grain boundaries. On the contrary, a dislocation description proves no longer adequate in the second limiting case examined. For strong pinning interactions, the vortex array appears completely amorphous and no remnant of the Abrikosov lattice order is left. Here we obtain the critical current as a function of impurity density, its scaling properties, and characterize the steady state dynamics above depinning. The plastic depinning observed in the amorphous phase is tightly connected with the emergence of channel-like flow. Our results suggest the possibility of establishing a clear distinction between two topologically disordered vortex phases: the vortex polycrystal and the amorphous vortex matter.Comment: 13 pages, 16 figure

Transcriptome of the deep-sea black scabbardfish, Aphanopus carbo (Perciformes: Trichiuridae) : tissue-specific expression patterns and candidate genes associated to depth adaptation

Deep-sea fishes provide a unique opportunity to study the physiology and evolutionary adaptation to extreme environments. We carried out a high throughput sequencing analysis on a 454 GS-FLX titanium plate using unnormalized cDNA libraries from six tissues of A. carbo. Assemblage and annotations were performed by Newbler and InterPro/Pfam analyses, respectively. The assembly of 544,491 high quality reads provided 8,319 contigs, 55.6% of which retrieved blast hits against the NCBI nonredundant database or were annotated with ESTscan. Comparison of functional genes at both the protein sequences and protein stability levels, associated with adaptations to depth, revealed similarities between A. carbo and other bathypelagic fishes. A selection of putative genes was standardized to evaluate the correlation between number of contigs and their normalized expression, as determined by qPCR amplification. The screening of the libraries contributed to the identification of new EST simple-sequence repeats (SSRs) and to the design of primer pairs suitable for population genetic studies as well as for tagging and mapping of genes. The characterization of the deep-sea fish A. carbo first transcriptome is expected to provide abundant resources for genetic, evolutionary, and ecological studies of this species and the basis for further investigation of depth-related adaptation processes in fishes.Publisher PDFPeer reviewe

Surface tension of the Widom-Rowlinson model

11 pags., 5 figs., 3 tabs.We consider the computation of the surface tension of the fluid-fluid interface for the Widom-Rowlinson [J. Chem. Phys. 52, 1670 (1970)] binary mixture from direct simulation of the inhomogeneous system. We make use of the standard mechanical route, in which the surface tension follows from the computation of the normal and tangential components of the pressure tensor of the system. In addition to the usual approach, which involves simulations of the inhomogeneous system in the canonical ensemble, we also consider the computation of the surface tension in an ensemble where the pressure perpendicular (normal) to the planar interface is kept fixed. Both approaches are seen to provide consistent values of the interfacial tension. The issue of the system-size dependence of the surface tension is addressed. In addition, simulations of the fluid-fluid coexistence properties of the mixture are performed in the semigrand canonical ensemble. Our results are compared with existing data of the Widom-Rowlinson mixture and are also examined in the light of the vapor-liquid equilibrium of the thermodynamically equivalent one-component penetrable sphere model. © 2007 American Institute of Physics.Financial support is due to the Spanish Dirección General de Investigación Project Nos. FIS2004-06627-C02-01 E.d.M. and FIS2004-02954-C03-01 N.G.A. and from Universidad de Huelva and Junta de Andalucía. Additional funding from the Dirección General de Universidades e Investigación Comunidad de Madrid, Spain under the MOSSNOHO-CM program Grant No. S0505/ESP/0299 and from the Engineering and Physical Sciences EPSRC of the UK Grant Nos. GR/N20317, GR/N03358, GR/N35991, GR/R09497, and EP/E016340, the Joint Research Equipment Initiative JREI GR/M94427, and the Royal Society Wolfson Foundation refurbishment grant is also acknowledged. Finally we are grateful to the Royal Society for the award of a International Short Visit grant which has facilitated the collaborative work

Heat exchange between two interacting nanoparticles beyond the fluctuation-dissipation regime

We show that the observed non-monotonic behavior of the thermal conductance between two nanoparticles when they are brought into contact is originated by an intricate phase space dynamics. Here it is assumed that this dynamics results from the thermally activated jumping through a rough energy landscape. A hierarchy of relaxation times plays the key role in the description of this complex phase space behaviour. Our theory enables us to analyze the heat transfer just before and at the moment of contact.Comment: 4 pages, 1 figure, approved for publication in Physical Review Letter

A comparative study of experimental configurations in synchrotron pair distribution function

The identification and quantification of amorphous components and nanocrystalline phases with very small crystal sizes, smaller than ~3 nm, within samples containing crystalline phases is very challenging. However, this is important as there are several types of systems that contain these matrices: building materials, glass-ceramics, some alloys, etc. The total scattering synchrotron pair distribution function (PDF) can be used to characterize the local atomic order of the nanocrystalline components and to carry out quantitative analyses in complex mixtures. Although the resolution in momentum transfer space has been widely discussed, the resolution in the interatomic distance space has not been discussed to the best of our knowledge. Here, we report synchrotron PDF data collected at three beamlines in different experimental configurations and X-ray detectors. We not only discuss the effect of the resolution in Q-space, Qmax ins of the recorded data and Qmax of the processed data, but we also discuss the resolution in the interatomic distance (real) space. A thorough study of single-phase crystalline nickel used as standard was carried out. Then, selected cement-related samples including anhydrous tricalcium and dicalcium silicates, and pastes derived from the hydration of tricalcium silicate and ye’elimite with bassanite were analyzed.This work is part of the PhD of Mr. Jesus D. Zea-Garcia. This work was supported by Spanish MINECO and FEDER [BIA2017-82391-R research project and I3 [IEDI-2016-0079] program]

On the relation between virial coefficients and the close-packing of hard disks and hard spheres

The question of whether the known virial coefficients are enough to determine the packing fraction $\eta_\infty$ at which the fluid equation of state of a hard-sphere fluid diverges is addressed. It is found that the information derived from the direct Pad\'e approximants to the compressibility factor constructed with the virial coefficients is inconclusive. An alternative approach is proposed which makes use of the same virial coefficients and of the equation of state in a form where the packing fraction is explicitly given as a function of the pressure. The results of this approach both for hard-disk and hard-sphere fluids, which can straightforwardly accommodate higher virial coefficients when available, lends support to the conjecture that $\eta_\infty$ is equal to the maximum packing fraction corresponding to an ordered crystalline structure.Comment: 10 pages, 6 figures; v2: discussion about hard-square and hard-hexagon systems on a lattice added; five new reference