Response of a catalytic reaction to periodic variation of the CO pressure: Increased CO_2 production and dynamic phase transition

We present a kinetic Monte Carlo study of the dynamical response of a Ziff-Gulari-Barshad model for CO oxidation with CO desorption to periodic variation of the CO presure. We use a square-wave periodic pressure variation with parameters that can be tuned to enhance the catalytic activity. We produce evidence that, below a critical value of the desorption rate, the driven system undergoes a dynamic phase transition between a CO_2 productive phase and a nonproductive one at a critical value of the period of the pressure oscillation. At the dynamic phase transition the period-averged CO_2 production rate is significantly increased and can be used as a dynamic order parameter. We perform a finite-size scaling analysis that indicates the existence of power-law singularities for the order parameter and its fluctuations, yielding estimated critical exponent ratios $\beta/\nu \approx 0.12$ and $\gamma/\nu \approx 1.77$. These exponent ratios, together with theoretical symmetry arguments and numerical data for the fourth-order cumulant associated with the transition, give reasonable support for the hypothesis that the observed nonequilibrium dynamic phase transition is in the same universality class as the two-dimensional equilibrium Ising model.Comment: 18 pages, 10 figures, accepted in Physical Review

Energetics and Vibrational States for Hydrogen on Pt(111)

We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional adiabatic potential energy surface obtained from first principles calculations. For coverages less than three quarters of a monolayer, the observed experimental high-resolution electron peaks at 31 and 68meV are in excellent agreement with the theoretical transitions between selected bands. Our results convincingly demonstrate the need to go beyond the local harmonic oscillator picture to understand the dynamics of this system.Comment: In press at Phys. Rev. Lett - to appear in April 200

Spontaneous Polarisation Build up in a Room Temperature Polariton Laser

We observe the build up of strong (~50%) spontaneous vector polarisation in emission from a GaN-based polariton laser excited by short optical pulses at room temperature. The Stokes vector of emitted light changes its orientation randomly from one excitation pulse to another, so that the time-integrated polarisation remains zero. This behaviour is completely different to any previous laser. We interpret this observation in terms of the spontaneous symmetry breaking in a Bose-Einstein condensate of exciton-polaritons

Decay of metastable phases in a model for the catalytic oxidation of CO

We study by kinetic Monte Carlo simulations the dynamic behavior of a Ziff-Gulari-Barshad model with CO desorption for the reaction CO + O $\to$ CO$_2$ on a catalytic surface. Finite-size scaling analysis of the fluctuations and the fourth-order order-parameter cumulant show that below a critical CO desorption rate, the model exhibits a nonequilibrium first-order phase transition between low and high CO coverage phases. We calculate several points on the coexistence curve. We also measure the metastable lifetimes associated with the transition from the low CO coverage phase to the high CO coverage phase, and {\it vice versa}. Our results indicate that the transition process follows a mechanism very similar to the decay of metastable phases associated with {\it equilibrium} first-order phase transitions and can be described by the classic Kolmogorov-Johnson-Mehl-Avrami theory of phase transformation by nucleation and growth. In the present case, the desorption parameter plays the role of temperature, and the distance to the coexistence curve plays the role of an external field or supersaturation. We identify two distinct regimes, depending on whether the system is far from or close to the coexistence curve, in which the statistical properties and the system-size dependence of the lifetimes are different, corresponding to multidroplet or single-droplet decay, respectively. The crossover between the two regimes approaches the coexistence curve logarithmically with system size, analogous to the behavior of the crossover between multidroplet and single-droplet metastable decay near an equilibrium first-order phase transition.Comment: 27 pages, 22 figures, accepted by Physical Review

Sculpting oscillators with light within a nonlinear quantum fluid

Seeing macroscopic quantum states directly remains an elusive goal. Particles with boson symmetry can condense into such quantum fluids producing rich physical phenomena as well as proven potential for interferometric devices [1-10]. However direct imaging of such quantum states is only fleetingly possible in high-vacuum ultracold atomic condensates, and not in superconductors. Recent condensation of solid state polariton quasiparticles, built from mixing semiconductor excitons with microcavity photons, offers monolithic devices capable of supporting room temperature quantum states [11-14] that exhibit superfluid behaviour [15,16]. Here we use microcavities on a semiconductor chip supporting two-dimensional polariton condensates to directly visualise the formation of a spontaneously oscillating quantum fluid. This system is created on the fly by injecting polaritons at two or more spatially-separated pump spots. Although oscillating at tuneable THz-scale frequencies, a simple optical microscope can be used to directly image their stable archetypal quantum oscillator wavefunctions in real space. The self-repulsion of polaritons provides a solid state quasiparticle that is so nonlinear as to modify its own potential. Interference in time and space reveals the condensate wavepackets arise from non-equilibrium solitons. Control of such polariton condensate wavepackets demonstrates great potential for integrated semiconductor-based condensate devices.Comment: accepted in Nature Physic

LEGaTO: first steps towards energy-efficient toolset for heterogeneous computing

LEGaTO is a three-year EU H2020 project which started in December 2017. The LEGaTO project will leverage task-based programming models to provide a software ecosystem for Made-in-Europe heterogeneous hardware composed of CPUs, GPUs, FPGAs and dataflow engines. The aim is to attain one order of magnitude energy savings from the edge to the converged cloud/HPC.Peer ReviewedPostprint (author's final draft

Former of Turn Trajectory of Sliding Valve Shaft of Gas Line

Former of turn trajectory of sliding valve shaft of gas line, that allows to provide desired motion trajectory of sliding valve and its full closing, is considered in that paper. Imitation model of that former, research results, which allow to detect influence of gain factor and time constant of position controller on value of speed error, that has impact on delay of output coordinate from setting, and that results to delay of sliding valve motion process to setting position point, are shown

The Static and Dynamic Lattice Changes Induced by Hydrogen Adsorption on NiAl(110)

Static and dynamic changes induced by adsorption of atomic hydrogen on the NiAl(110) lattice at 130 K have been examined as a function of adsorbate coverage. Adsorbed hydrogen exists in three distinct phases. At low coverages the hydrogen is itinerant because of quantum tunneling between sites and exhibits no observable vibrational modes. Between 0.4 ML and 0.6 ML, substrate mediated interactions produce an ordered superstructure with c(2x2) symmetry, and at higher coverages, hydrogen exists as a disordered lattice gas. This picture of how hydrogen interacts with NiAl(110) is developed from our data and compared to current theoretical predictions.Comment: 36 pages, including 12 figures, 2 tables and 58 reference

Observation of bright polariton solitons in a semiconductor microcavity

Microcavity polaritons are composite half-light half-matter quasi-particles, which have recently been demonstrated to exhibit rich physical properties, such as non-equilibrium Bose-Einstein condensation, parametric scattering and superfluidity. At the same time, polaritons have some important advantages over photons for information processing applications, since their excitonic component leads to weaker diffraction and stronger inter-particle interactions, implying, respectively, tighter localization and lower powers for nonlinear functionality. Here we present the first experimental observations of bright polariton solitons in a strongly coupled semiconductor microcavity. The polariton solitons are shown to be non-diffracting high density wavepackets, that are strongly localised in real space with a corresponding broad spectrum in momentum space. Unlike solitons known in other matter-wave systems such as Bose condensed ultracold atomic gases, they are non-equilibrium and rely on a balance between losses and external pumping. Microcavity polariton solitons are excited on picosecond timescales, and thus have significant benefits for ultrafast switching and transfer of information over their light only counterparts, semiconductor cavity lasers (VCSELs), which have only nanosecond response time

Connective tissue disease related interstitial lung diseases and idiopathic pulmonary fibrosis: provisional core sets of domains and instruments for use in clinical trials

Rationale Clinical trial design in interstitial lung diseases (ILDs) has been hampered by lack of consensus on appropriate outcome measures for reliably assessing treatment response. In the setting of connective tissue diseases (CTDs), some measures of ILD disease activity and severity may be confounded by non-pulmonary comorbidities. Methods The Connective Tissue Disease associated Interstitial Lung Disease (CTD-ILD) working group of Outcome Measures in Rheumatology—a non-profit international organisation dedicated to consensus methodology in identification of outcome measures—conducted a series of investigations which included a Delphi process including >248 ILD medical experts as well as patient focus groups culminating in a nominal group panel of ILD experts and patients. The goal was to define and develop a consensus on the status of outcome measure candidates for use in randomised controlled trials in CTD-ILD and idiopathic pulmonary fibrosis (IPF). Results A core set comprising specific measures in the domains of lung physiology, lung imaging, survival, dyspnoea, cough and health-related quality of life is proposed as appropriate for consideration for use in a hypothetical 1-year multicentre clinical trial for either CTD-ILD or IPF. As many widely used instruments were found to lack full validation, an agenda for future research is proposed. Conclusion Identification of consensus preliminary domains and instruments to measure them was attained and is a major advance anticipated to facilitate multicentre RCTs in the field