8,825 research outputs found
Structural anomalies for a three dimensional isotropic core-softened potential
Using molecular dynamics simulations we investigate the structure of a system
of particles interacting through a continuous core-softened interparticle
potential. We found for the translational order parameter, t, a local maximum
at a density and a local minimum at . Between and , the parameter
anomalously decreases upon pressure. For the orientational order parameter,
, was observed a maximum at a density . For densities between and , both the
translational (t) and orientational () order parameters have anomalous
behavior. We know that this system also exhibits density and diffusion anomaly.
We found that the region in the pressure-temperature phase-diagram of the
structural anomaly englobes the region of the diffusion anomaly that is larger
than the region limited by the temperature of maximum density. This cascade of
anomalies (structural, dynamic and thermodynamic) for our model has the same
hierarchy of that one observed for the SPC/E water.Comment: 19 pages, 8 figure
Coexistence Curve Singularities at Critical End Points
We report an extensive Monte Carlo study of critical end point behaviour in a
symmetrical binary fluid mixture. On the basis of general scaling arguments,
singular behaviour is predicted in the diameter of the liquid-gas coexistence
curve as the critical end point is approached. The simulation results show
clear evidence for this singularity, as well as confirming a previously
predicted singularity in the coexistence chemical potential. Both singularities
should be detectable experimentally.Comment: 9 pages Revtex, 3 figures. To appear in Phys. Rev. Let
Analytical results for a Bessel function times Legendre polynomials class integrals
When treating problems of vector diffraction in electromagnetic theory, the
evaluation of the integral involving Bessel and associated Legendre functions
is necessary. Here we present the analytical result for this integral that will
make unnecessary numerical quadrature techniques or localized approximations.
The solution is presented using the properties of the Bessel and associated
Legendre functions.Comment: 4 page
Analyses of shocked quartz at the global K-P boundary indicate an origin from a single, high-angle, oblique impact at Chicxulub
Accepted versio
Diffusion Enhancement in Core-softened fluid confined in nanotubes
We study the effect of confinement in the dynamical behavior of a
core-softened fluid. The fluid is modeled as a two length scales potential.
This potential in the bulk reproduces the anomalous behavior observed in the
density and in the diffusion of liquid water. A series of Molecular
Dynamics simulations for this two length scales fluid confined in a nanotube
were performed. We obtain that the diffusion coefficient increases with the
increase of the nanotube radius for wide channels as expected for normal
fluids. However, for narrow channels, the confinement shows an enhancement in
the diffusion coefficient when the nanotube radius decreases. This behavior,
observed for water, is explained in the framework of the two length scales
potential.Comment: 17 pages, 8 figures, accept for publication at J. Chem. Phy
Solution of an associating lattice gas model with density anomaly on a Husimi lattice
We study a model of a lattice gas with orientational degrees of freedom which
resemble the formation of hydrogen bonds between the molecules. In this model,
which is the simplified version of the Henriques-Barbosa model, no distinction
is made between donors and acceptors in the bonding arms. We solve the model in
the grand-canonical ensemble on a Husimi lattice built with hexagonal
plaquettes with a central site. The ground-state of the model, which was
originally defined on the triangular lattice, is exactly reproduced by the
solution on this Husimi lattice. In the phase diagram, one gas and two liquid
(high density-HDL and low density-LDL) phases are present. All phase
transitions (GAS-LDL, GAS-HDL, and LDL-HDL) are discontinuous, and the three
phases coexist at a triple point. A line of temperatures of maximum density
(TMD) in the isobars is found in the metastable GAS phase, as well as another
line of temperatures of minimum density (TmD) appears in the LDL phase, part of
it in the stable region and another in the metastable region of this phase.
These findings are at variance with simulational results for the same model on
the triangular lattice, which suggested a phase diagram with two critical
points. However, our results show very good quantitative agreement with the
simulations, both for the coexistence loci and the densities of particles and
of hydrogen bonds. We discuss the comparison of the simulations with our
results.Comment: 12 pages, 5 figure
Liquid crystal phase and waterlike anomalies in a core-softened shoulder-dumbbells system
Using molecular dynamics we investigate the thermodynamics, dynamics and
structure of 250 diatomic molecules interacting by a core-softened potential.
This system exhibits thermodynamics, dynamics and structural anomalies: a
maximum in density-temperature plane at constante pressure and maximum and
minimum points in the diffusivity and translational order parameter against
density at constant temperature. Starting with very dense systems and
decreasing density the mobility at low temperatures first increases, reach a
maximum, then decreases, reach a minimum and finally increases. In the
pressure-temperature phase diagram the line of maximum translational order
parameter is located outside the line of diffusivity extrema that is enclosing
the temperature of maximum density line. We compare our results with the
monomeric system showing that the anisotropy due to the dumbbell leads to a
much larger solid phase and to the appearance of a liquid crystal phase. the
double ranged thermodynamic and dynamic anomalies.Comment: 14 pages, 5 figure
Neonatal septic arthritis – A challenging diagnosis
Introdução: O diagnóstico de artrite séptica no recém-nascido é difícil e requer alto grau de suspeição dado que nesta faixa etária a clínica é fruste.
Caso clínico: Apresenta-se o caso de um recém-nascido a quem foi diagnosticada paralisia do plexo braquial direito aos 10 dias de vida. Aos 17 dias de vida por limitação da abdução da anca direita levantou-se a suspeita de displasia de desenvolvimento da anca. Foi efetuada ecografia, que corroborou o diagnóstico e o recém-nascido foi encaminhado para consulta de Ortopedia Pediátrica aos 20 dias de vida. Após estudo adequado, concluiu tratar-se de um caso de artrite séptica poliarticular. Atualmente aos oito anos de idade apresenta sequelas no membro superior direito com deformidade e encurtamento do mesmo.
Discussão/conclusão: O atraso no diagnóstico e tratamento desta patologia acarreta sequelas futuras que podem ser irreversíveis. Os autores pretendem com a exposição deste caso alertar para a dificuldade e importância do diagnóstico precoce desta patologia
Coefficients of heritability for performance traits in an F2 layer x broiler reciprocal cross developed for QTL mapping in Gallus gallus.
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