Static structure and dynamics of the liquid Li-Na and Li-Mg alloys

We present calculations for the static structure and ordering properties of two lithium-based s-p bonded liquid alloys, Li-Na and Li-Mg. Our theoretical approach is based on the neutral pseudoatom method to derive the interatomic pair potentials, and on the modified-hypernetted-chain theory of liquids to obtain the liquid static structure, leading to a whole combination that is free of adjustable parameters. The study is complemented by performing molecular dynamics simulations which, besides checking the theoretical static structural results, also allow a calculation of some dynamical properties. The obtained results are compared with the available experimental data.

Three-dimensional aspects of fluid flows in channels. II. Effects of meniscus and thin film regimes on viscous fingers

We perform a three-dimensional study of steady state viscous fingers that develop in linear channels. By means of a three-dimensional lattice-Boltzmann scheme that mimics the full macroscopic equations of motion of the fluid momentum and order parameter, we study the effect of the thickness of the channel in two cases. First, for total displacement of the fluids in the channel thickness direction, we find that the steady state finger is effectively two-dimensional and that previous two-dimensional results can be recovered by taking into account the effect of a curved meniscus across the channel thickness as a contribution to surface stresses. Second, when a thin film develops in the channel thickness direction, the finger narrows with increasing channel aspect ratio in agreement with experimental results. The effect of the thin film renders the problem three-dimensional and results deviate from the two-dimensional prediction.

Three-dimensional aspects of fluid flows in channels. I. Meniscus and thin film regimes

We study the forced displacement of a fluid-fluid interface in a three-dimensional channel formed by two parallel solid plates. Using a lattice-Boltzmann method, we study situations in which a slip velocity arises from diffusion effects near the contact line. The difference between the slip and channel velocities determines whether the interface advances as a meniscus or a thin film of fluid is left adhered to the plates. We find that this effect is controlled by the capillary and Péclet numbers. We estimate the crossover from a meniscus to a thin film and find good agreement with numerical results. The penetration regime is examined in the steady state. We find that the occupation fraction of the advancing finger relative to the channel thickness is controlled by the capillary number and the viscosity contrast between the fluids. For high viscosity contrast, lattice-Boltzmann results agree with previous results. For zero viscosity contrast, we observe remarkably narrow fingers. The shape of the finger is found to be universal.

Quasi-two-dimensional electrodeposition under forced fluid flow

Experimental quasi-two-dimensional Zn electrodeposits are grown under forced convection conditions. Large-scale effects, with preferential growth towards the impinging flow, together with small-scale roughness suppression effects are evidenced and separately analyzed by using two different radial cell configurations. Interpretations are given in terms of primary concepts concerning current and concentration distributions.

Excitability transitions and wave dynamics under spatiotemporal structured noise

We present an analytic and numerical study of the effects of external fluctuations in active media. Our analytical methodology transforms the initial stochastic partial differential equations into an effective set of deterministic reaction-diffusion equations. As a result we are able to explain and make quantitative predictions on the systematic and constructive effects of the noise, for example, target patterns created out of noise and traveling or spiral waves sustained by noise. Our study includes the case of realistic noises with temporal and spatial structures.

Dynamics of turing patterns under spatiotemporal forcing

We study, both theoretically and experimentally, the dynamical response of Turing patterns to a spatiotemporal forcing in the form of a traveling-wave modulation of a control parameter. We show that from strictly spatial resonance, it is possible to induce new, generic dynamical behaviors, including temporally modulated traveling waves and localized traveling solitonlike solutions. The latter make contact with the soliton solutions of Coullet [Phys. Rev. Lett. 56, 724 (1986)] and generalize them. The stability diagram for the different propagating modes in the Lengyel-Epstein model is determined numerically. Direct observations of the predicted solutions in experiments carried out with light modulations in the photosensitive chlorine dioxide-iodine-malonic acid reaction are also reported.

Phase separation dynamics under stirring

Phase separation dynamics in the presence of externally imposed stirring is studied. The stirring is assumed independent of the concentration and it is generated with a well-defined energy spectrum. The domain growth process is either favored or frozen depending on the intensity and correlation length of this advective flow. This behavior is explained by analytical arguments.

Fluid dynamical prediction of changed v1-flow at energies available at the CERN Large Hadron Collider

Substantial collective flow is observed in collisions between lead nuclei at Large Hadron Collider (LHC) as evidenced by the azimuthal correlations in the transverse momentum distributions of the produced particles. Our calculations indicate that the global v1-flow, which at RHIC peaked at negative rapidities (named third flow component or antiflow), now at LHC is going to turn toward forward rapidities (to the same side and direction as the projectile residue). Potentially this can provide a sensitive barometer to estimate the pressure and transport properties of the quark-gluon plasma. Our calculations also take into account the initial state center-of-mass rapidity fluctuations, and demonstrate that these are crucial for v1 simulations. In order to better study the transverse momentum flow dependence we suggest a new"symmetrized" vS1(pt) function, and we also propose a new method to disentangle global v1 flow from the contribution generated by the random fluctuations in the initial state. This will enhance the possibilities of studying the collective Global v1 flow both at the STAR Beam Energy Scan program and at LHC.

Fluid dynamical prediction of changed v1-flow at energies available at the CERN Large Hadron Collider

Substantial collective flow is observed in collisions between lead nuclei at Large Hadron Collider (LHC) as evidenced by the azimuthal correlations in the transverse momentum distributions of the produced particles. Our calculations indicate that the global v1-flow, which at RHIC peaked at negative rapidities (named third flow component or antiflow), now at LHC is going to turn toward forward rapidities (to the same side and direction as the projectile residue). Potentially this can provide a sensitive barometer to estimate the pressure and transport properties of the quark-gluon plasma. Our calculations also take into account the initial state center-of-mass rapidity fluctuations, and demonstrate that these are crucial for v1 simulations. In order to better study the transverse momentum flow dependence we suggest a new"symmetrized" vS1(pt) function, and we also propose a new method to disentangle global v1 flow from the contribution generated by the random fluctuations in the initial state. This will enhance the possibilities of studying the collective Global v1 flow both at the STAR Beam Energy Scan program and at LHC.

Radial displacement of a fluid annulus in a rotating Hele-Shaw cell

The radial displacement of a fluid annulus in a rotating circular HeleShaw cell has been investigated experimentally. It has been found that the flow depends sensitively on the wetting conditions at the outer interface. Displacements in a prewet cell are well described by Darcy"s law in a wide range of experimental parameters, with little influence of capillary effects. In a dry cell, however, a more careful analysis of the interfacemotion is required; the interplay between a gradual loss of fluid at the inner interface, and the dependence of capillary forces at the outer interface on interfacial velocity and dynamic contact angle, result in a constant velocity for the interfaces. The experimental results in this case correlate in the form of an empirical scaling relation between the capillary number Ca and a dimensionless group, related to the ratio of centrifugal to capillary forces, which spans about three orders of magnitude in both quantities. Finally, the relative thickness of the coating film left by the inner interface is obtained as a function of Ca.

Chaotic dynamics of electric-field domains in periodically driven superlattices

Self-sustained time-dependent current oscillations under dc voltage bias have been observed in recent experiments on n-doped semiconductor superlattices with sequential resonant tunneling. The current oscillations are caused by the motion and recycling of the domain wall separating low- and high-electric-field regions of the superlattice, as the analysis of a discrete drift model shows and experimental evidence supports. Numerical simulation shows that different nonlinear dynamical regimes of the domain wall appear when an external microwave signal is superimposed on the dc bias and its driving frequency and driving amplitude vary. On the frequency-amplitude parameter plane, there are regions of entrainment and quasiperiodicity forming Arnold tongues. Chaos is demonstrated to appear at the boundaries of the tongues and in the regions where they overlap. Coexistence of up to four electric-field domains randomly nucleated in space is detected under ac+dc driving.

Developing discontinuous Galerkin methods for the resolution of the incompressible Navier-Stokes equations

Informe de investigación elaborado a partir de una estancia en el Laboratorio de Diseño Computacional en Aeroespacial en el Massachusetts Institute of Technology (MIT), Estados Unidos, entre noviembre de 2006 y agosto de 2007. La aerodinámica es una rama de la dinámica de fluidos referida al estudio de los movimientos de los líquidos o gases, cuya meta principal es predecir las fuerzas aerodinámicas en un avión o cualquier tipo de vehículo, incluyendo los automóviles. Las ecuaciones de Navier-Stokes representan un estado dinámico del equilibrio de las fuerzas que actúan en cualquier región dada del fluido. Son uno de los sistemas de ecuaciones más útiles porque describen la física de una gran cantidad de fenómenos como corrientes del océano, flujos alrededor de una superficie de sustentación, etc. En el contexto de una tesis doctoral, se está estudiando un flujo viscoso e incompresible, solucionando las ecuaciones de Navier- Stokes incompresibles de una manera eficiente. Durante la estancia en el MIT, se ha utilizado un método de Galerkin discontinuo para solucionar las ecuaciones de Navier-Stokes incompresibles usando, o bien un parámetro de penalti para asegurar la continuidad de los flujos entre elementos, o bien un método de Galerkin discontinuo compacto. Ambos métodos han dado buenos resultados y varios ejemplos numéricos se han simulado para validar el buen comportamiento de los métodos desarrollados. También se han estudiado elementos particulares, los elementos de Raviart y Thomas, que se podrían utilizar en una formulación mixta para obtener un algoritmo eficiente para solucionar problemas numéricos complejos.

Desenvolupament de codis numèrics per a la resolució de fluxos turbulents en ordinadors paral·lels emprant discretitzacions tipus symmetry-preserving

Projecte de recerca elaborat a partir d’una estada a la University of Groningen, Holanda, entre 2007 i 2009. La simulació directa de la turbulència (DNS) és una eina clau dins de la mecànica de fluids computacional. Per una banda permet conèixer millor la física de la turbulència i per l'altra els resultats obtinguts són claus per el desenvolupament dels models de turbulència. No obstant, el DNS no és una tècnica vàlida per a la gran majoria d'aplicacions industrials degut al elevats costos computacionals. Per tant, és necessari cert grau de modelització de la turbulència. En aquest context, s'han introduïts importants millores basades en la modelització del terme convectiu (no lineal) emprant symmetry-preserving regularizations. En tracta de modificar adequadament el terme convectiu a fi de reduir la producció d'escales més i més petites (vortex-stretching) tot mantenint tots els invariants de les equacions originals. Fins ara, aquest models s'han emprat amb èxit per nombres de Rayleigh (Ra) relativament elevats. En aquest punt, disposar de resultats DNS per a configuracions més complexes i nombres de Ra més elevats és clau. En aquest contexte, s'han dut a terme simulacions DNS en el supercomputador MareNostrum d'una Differentially Heated Cavity amb Ra=1e11 i Pr=0.71 durant el primer any dels dos que consta el projecte. A més a més, s'ha adaptat el codi a fi de poder simular el fluxe al voltant d'un cub sobre una pared amb Re=10000. Aquestes simulacions DNS són les més grans fetes fins ara per aquestes configuracions i la seva correcta modelització és un gran repte degut la complexitat dels fluxes. Aquestes noves simulacions DNS estan aportant nous coneixements a la física de la turbulència i aportant resultats indispensables per al progrés de les modelitzacións tipus symmetry-preserving regularization.

Desenvolupament d’una metodologia de simulació mitjançant programari CFD per a la optimització d’agitadors

La dinàmica de fluids computacional (CFD) és una eina que serveix per analitzar mitjançantcomputadors diferents problemes que involucren fluxos de fluids. Els programes de CFD usen expressions matemàtiques no lineals que defineixen les equacions fonamentals de fluxos i transport de calor en fluids. Aquestes es resolen amb complexos algoritmes iteratius. Actualment aquesta eina és una part fonamental en els procés de disseny en moltes empreses relacionades amb la dinàmica de fluids. Les simulacions que es realitzen ambaquests programes s’ha demostrat que són fiables i que estalvien temps i diners, ja que eviten haver de realitzar els costosos processos d’assaig-error. En el projecte s’utilitza el programa de CFD Ansys CFX 11.0 per simular una agitació bifàsica composta per aigua i aire a temperatura ambient. Els objectius són determinar els paràmetres òptims de simulació que permetin recrear aquesta agitació, per posteriorment dissenyar un nou impulsor

Simulació mitjançant tècniques CFD d'una culata per al motor del vehicle de baix consum "Àliga-EPS-UdG"

El projecte pretén estudiar i quantificar les restriccions creades al fluid en circular pelsconductes d’admissió i escapament de la culata del motor del vehicle Àliga. L’estudi consta de quatre etapes: estudi de les restriccions actuals dels sistemes d’admissió i escapament; anàlisi dels resultats de la culata de sèrie i proposta de millores aplicables al model real; càlcul de les restriccions creades pels models millorats, i finalment, estudi comparatiu dels resultats obtinguts, interpretant els resultats dels principals paràmetres a analitzar