Configuration of Ammonia on CU{311}: Infrared Spectroscopy and First-Principles Theory

[Abstract]: We describe Reflection Absorption Infrared Spectroscopy (RAIRS) and first-principles Density Functional Theory (DFT) studies of ammonia adsorption on the Cu{311} surface. Our experimental results indicate an upright chemisorbed species at low coverages, with at least one additional species accompanying this at higher coverages. Our high-coverage RAIRS data cannot be fully explained by DFT models containing only ammonia or its dissociation products, even allowing for molecular tilt and/or the formation of a bilayer. We therefore also consider urea and formamide as possible products of surface reaction with residual carbon monoxide, but these species are again not fully compatible with our observed spectra. The overlayer composition at high coverages remains mysterious.The calculations were performed at the Cambridge Service for Data-Driven Discovery (CSD3). I.T. acknowledges support from a Beatriz Galindo senior fellowship (BG22/00148) from the Spanish Ministry of Science and Innovation

The barocaloric effect: A Spin-off of the Discovery of High-Temperature Superconductivity

Some key results obtained in joint research projects with Alex M\"uller are summarized, concentrating on the invention of the barocaloric effect and its application for cooling as well as on important findings in the field of high-temperature superconductivity resulting from neutron scattering experiments.Comment: 26 pages, 9 figure

Liberación de la patela en las artroplastias totales de rodilla: estudio gammagráfico

Se han realizado estudios gammagráficos en 20 pacientes intervenidos de artroplastia total cementada de rodilla. En 10 casos fue necesaria la liberación del alerón rotuliano externo y en otros 10 no se había indicado dicho gesto quirúrgico. En ningún paciente existía alteración evolutiva del aparato extensor. Los estudios gammagráficos se practicaron a los 12 meses del implante con el objeto de valorar la situación vascular de la rótula en ese momento. Se comparó, en la proyección lateral, la captación de la rótula en relación a la metáfisis distal del fémur homolateral. No hemos encontrado diferencias entre ambos grupos por lo que consideramos que la liberación patelar no produce un déficit vascular rotuliano a los 12 meses de la cirugía.Scintigraphic studies were performed in 20 patients with cemented total prosthesis of the knee. The patellar release was necessary in 10 cases. None of the patients developed knee extension deficits. Scintigraphic studies were performed 12 months after surgery in order to know the patellar blood supply at that moment. Patellar isotopic uptake was compared with the uptake at the distal metaphysis of the homolateral femur, at lateral projection. We haven't found any differences between both groups, so we consider that the patellar release doesn't make a less blood supply twelve months after surgery

Dynamical charge inhomogeneity and crystal-field fluctuations for 4f ions in high-Tc cuprates

The main relaxation mechanism of crystal-field excitations in rare-earth ions in cuprates is believed to be provided by the fluctuations of crystalline electric field induced by a dynamic charge inhomogeneity generic for the doped cuprates. We address the generalized granular model as one of the model scenario for such an ingomogeneity where the cuprate charge subsystem remind that of Wigner crystal with the melting transition and phonon-like positional excitation modes. Formal description of R-ion relaxation coincides with that of recently suggested magnetoelastic mechanism.Comment: 4 page

Dynamical two electron states in a Hubbard-Davydov model

We study a model in which a Hubbard Hamiltonian is coupled to the dispersive phonons in a classical nonlinear lattice. Our calculations are restricted to the case where we have only two quasi-particles of opposite spins, and we investigate the dynamics when the second quasi-particle is added to a state corresponding to a minimal energy single quasi-particle state. Depending on the parameter values, we find a number of interesting regimes. In many of these, discrete breathers (DBs) play a prominent role with a localized lattice mode coupled to the quasiparticles. Simulations with a purely harmonic lattice show much weaker localization effects. Our results support the possibility that DBs are important in HTSC.Comment: 14 pages, 12 fig

Admixture of an s-wave component to the d-wave gap symmetry in high-temperature superconductors

Neutron crystal-field spectroscopy experiments in the Y- and La-type high-temperature superconductors HoBa2Cu3O6.56, HoBa2Cu4O8, and La1.81Sr0.15Ho0.04CuO4 are reviewed. By this bulk-sensitive technique, information on the gap function is obtained from the relaxation behavior of crystal-field transitions associated with the Ho3+ ions which sit as local probes close to the superconducting copper-oxide planes. The relaxation data exhibit a peculiar change from a convex to a concave shape between the superconducting transition temperature Tc and the pseudogap temperature T* which can only be modelled satisfactorily if the gap function of predominantly d-wave symmetry includes an s-wave component of the order of 20-25%, independent of the doping level. Moreover, our results are compatible with an unusual temperature dependence of the gap function in the pseudogap region (Tc<T<T*), i.e., a breakup of the Fermi surface into disconnected arcs.Comment: 14 pages, 3 figures, 1 table; accepted for publication in J. Supercond. Nov. Mag

Slip on three-dimensional surfactant-contaminated superhydrophobic gratings

Trace amounts of surfactants have been shown to critically prevent the drag reduction of superhydrophobic surfaces (SHSs), yet predictive models including their effects in realistic geometries are still lacking. We derive theoretical predictions for the velocity and resulting slip of a laminar fluid flow over three-dimensional SHS gratings contaminated with surfactant, which allow for the first direct comparison with experiments. The results are in good agreement with our numerical simulations and with measurements of the slip in microfluidic channels lined with SHSs, which we obtain via confocal microscopy and micro-particle image velocimetry. Our model enables the estimation of a priori unknown parameters of surfactants naturally present in applications, highlighting its relevance for microfluidic technologies.Comment: 6 pages, 3 figures, 11 supplemental pages, 2 supplemental figure

A theory for the slip and drag of superhydrophobic surfaces with surfactant.

Superhydrophobic surfaces (SHSs) have the potential to reduce drag at solid boundaries. However, multiple independent studies have recently shown that small amounts of surfactant, naturally present in the environment, can induce Marangoni forces that increase drag, at least in the laminar regime. To obtain accurate drag predictions, one must solve the mass, momentum, bulk surfactant and interfacial surfactant conservation equations. This requires expensive simulations, thus preventing surfactant from being widely considered in SHS studies. To address this issue, we propose a theory for steady, pressure-driven, laminar, two-dimensional flow in a periodic SHS channel with soluble surfactant. We linearise the coupling between flow and surfactant, under the assumption of small concentration, finding a scaling prediction for the local slip length. To obtain the drag reduction and interfacial shear, we find a series solution for the velocity field by assuming Stokes flow in the bulk and uniform interfacial shear. We find how the slip and drag depend on the nine dimensionless groups that together characterize the surfactant transport near SHSs, the gas fraction and the normalized interface length. Our model agrees with numerical simulations spanning orders of magnitude in each dimensionless group. The simulations also provide the constants in the scaling theory. Our model significantly improves predictions relative to a surfactant-free one, which can otherwise overestimate slip and underestimate drag by several orders of magnitude. Our slip length model can provide the boundary condition in other simulations, thereby accounting for surfactant effects without having to solve the full problem.Raymond and Beverly Sackler Foundation, the European Research Council Grant 247333, Mines ParisTech, the Schlumberger Chair Fund, the California NanoSystems Institute through a Challenge Grant, ARO MURI W911NF-17- 1-0306 and ONR MURI N00014-17-1-267

A model for slip and drag in turbulent flows over superhydrophobic surfaces with surfactant

International audienceSuperhydrophobic surfaces (SHSs) can reduce the friction drag in turbulent flows. In the laminar regime, it has been shown that trace amounts of surfactant can negate this drag reduction, at times rendering these surfaces no better than solid walls (Peaudecerf et al., Proc. Natl. Acad. Sci. USA 114(28), 7254-9, 2017). However, surfactant effects on the drag-reducing properties of SHSs have not yet been studied under turbulent flow conditions, where predicting the effects of surfactant in direct numerical simulations remains expensive by today’s standards. We present a model for turbulent flow inclusive of surfactant, in either a channel or boundary-layer configuration, over long but finite-length streamwise ridges that are periodic in the spanwise direction, with period and gas fraction . We adopt a technique based on a shifted log law to acquire an expression for the drag reduction. The average streamwise and spanwise slip lengths are derived by introducing a local laminar model within the viscous sublayer, whereby the effect of surfactant is modelled by modifying the average streamwise and spanwise slip lengths. Our model agrees with available laboratory experimental data from the literature when conditions are clean (surfactant-free), or when there are low surfactant levels. However, we find an appreciable drag increase for larger background surfactant concentrations that are characteristic of turbulent flows over SHSs for marine applications