Metallic slabs: Perturbative treatments based on jellium

We examine first-order perturbative results based on jellium for the surface energy of slabs of simple metals, using various local pseudopotentials (Ashcroft, Heine-Abarenkov and evanescent core). The difference between the pseudopotential and the jellium potential is averaged along the plane parallel to the surface. We compare these perturbative results with those of the stabilized jellium model (a modification of the regular jellium model in which the perturbation appears in the energy functional right from the outset) and with the output of other perturbative and non-perturbative calculations.Comment: 15 pages, 2 figures, to appear in Prog. Surf. Sc

Diffusion anomaly and dynamic transitions in the Bell-Lavis water model

In this paper we investigate the dynamic properties of the minimal Bell-Lavis (BL) water model and their relation to the thermodynamic anomalies. The Bell-Lavis model is defined on a triangular lattice in which water molecules are represented by particles with three symmetric bonding arms interacting through van der Waals and hydrogen bonds. We have studied the model diffusivity in different regions of the phase diagram through Monte Carlo simulations. Our results show that the model displays a region of anomalous diffusion which lies inside the region of anomalous density, englobed by the line of temperatures of maximum density (TMD). Further, we have found that the diffusivity undergoes a dynamic transition which may be classified as fragile-to-strong transition at the critical line only at low pressures. At higher densities, no dynamic transition is seen on crossing the critical line. Thus evidence from this study is that relation of dynamic transitions to criticality may be discarded

Dynamic Transitions in a Two Dimensional Associating Lattice Gas Model

Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a two dimensional lattice gas where particles interact through a soft core potential and orientational degrees of freedom. The competition between soft core potential and directional attractive forces results in a high density liquid phase, a low density liquid phase, and a gas phase. Besides anomalies in the behavior of the density with the temperature at constant pressure and of the diffusion coefficient with density at constant temperature are also found. The two liquid phases are separated by a coexistence line that ends in a bicritical point. The low density liquid phase is separated from the gas phase by a coexistence line that ends in tricritical point. The bicritical and tricritical points are linked by a critical $\lambda$-line. The high density liquid phase and the fluid phases are separated by a second $\tau$ critical line. We then investigate how the diffusion coefficient behaves on different regions of the chemical potential-temperature phase diagram. We find that diffusivity undergoes two types of dynamic transitions: a fragile-to-strong trans ition when the critical $\lambda$-line is crossed by decreasing the temperature at a constant chemical potential; and a strong-to-strong transition when the $\tau$-critical line is crossed by decreasing the temperature at a constant chemical potential.Comment: 22 page

Hydration and anomalous solubility of the Bell-Lavis model as solvent

We address the investigation of the solvation properties of the minimal orientational model for water, originally proposed by Bell and Lavis. The model presents two liquid phases separated by a critical line. The difference between the two phases is the presence of structure in the liquid of lower density, described through orientational order of particles. We have considered the effect of small inert solute on the solvent thermodynamic phases. Solute stabilizes the structure of solvent, by the organization of solvent particles around solute particles, at low temperatures. Thus, even at very high densities, the solution presents clusters of structured water particles surrounding solute inert particles, in a region in which pure solvent would be free of structure. Solute intercalates with solvent, a feature which has been suggested by experimental and atomistic simulation data. Examination of solute solubility has yielded a minimum in that property, which may be associated with the minimum found for noble gases. We have obtained a line of minimum solubility (TmS) across the phase diagram, accompanying the line of maximum in density (TMD). This coincidence is easily explained for non-interacting solute and it is in agreement with earlier results in the literature. We give a simple argument which suggests that interacting solute would dislocate TmS to higher temperatures

Gravitational wave generation in loop quantum cosmology

We calculate the full spectrum, as observed today, of the cosmological gravitational waves generated within a model based on loop quantum cosmology. It is assumed that the universe, after the transition to the classical regime, undergoes a period of inflation driven by a scalar field with a chaotic-type potential. Our analysis shows that, for certain conditions, loop quantum effects leave a clear signature on the spectrum, namely, an over-production of low-frequency gravitational waves. One of the aims of our work is to show that loop quantum cosmology models can be tested and that, more generally, pre-inflationary physical processes, contrary to what is usually assumed, leave their imprint in those spectra and can also be tested.Comment: 7 pages, 8 figures, revtex

Long-Term Visual Object Tracking Benchmark

We propose a new long video dataset (called Track Long and Prosper - TLP) and benchmark for single object tracking. The dataset consists of 50 HD videos from real world scenarios, encompassing a duration of over 400 minutes (676K frames), making it more than 20 folds larger in average duration per sequence and more than 8 folds larger in terms of total covered duration, as compared to existing generic datasets for visual tracking. The proposed dataset paves a way to suitably assess long term tracking performance and train better deep learning architectures (avoiding/reducing augmentation, which may not reflect real world behaviour). We benchmark the dataset on 17 state of the art trackers and rank them according to tracking accuracy and run time speeds. We further present thorough qualitative and quantitative evaluation highlighting the importance of long term aspect of tracking. Our most interesting observations are (a) existing short sequence benchmarks fail to bring out the inherent differences in tracking algorithms which widen up while tracking on long sequences and (b) the accuracy of trackers abruptly drops on challenging long sequences, suggesting the potential need of research efforts in the direction of long-term tracking.Comment: ACCV 2018 (Oral

A perturbative approach to the polaron shift of excitons in transition metal dichalcogeniedes

In this Letter, we study the effect of phonons on the position of the 1s excitonic resonance of the fundamental absorption transition line in two-dimensional transition metal dichalcogenides. We apply our theory to WS2, a two-dimensional material where the shift in the absorption peak position has been measured as a function of temperature. The theory is composed of two ingredients only: (i) the effect of longitudinal optical phonons on the absorption peak position, which we describe with second-order perturbation theory, and (ii) the effect of phonons on the value of the single-particle energy gap, which we describe with the Huang Rhys model. Our results show excellent agreement with the experimentally measured shift of the absorption peak with the temperature.- N.M.R.P. acknowledges support by the Portuguese Foundation for Science and Technology (FCT) in the framework of the Strategic Funding UIDB/04650/2020. J.C.G.H. acknowledges the Center of Physics for a grant funded by the UIDB/04650/2020 strategic project. N.M.R.P. acknowledges support from the European Commission through the project Graphene-Driven Revolutions in ICT and Beyond (Ref. No. 881603, CORE 3), COMPETE 2020, PORTUGAL 2020, FEDER, and the FCT through Projects No. POCI-01-0145FEDER-028114 and No. PTDC/NAN-OPT/29265/2017

Excitons in phosphorene: A semi-analytical perturbative approach

In this paper we develop a semi-analytical perturbation-theory approach to the calculation of the energy levels (binding energies) and wave functions of excitons in phosphorene. Our method gives the exciton wave function in both real and reciprocal spaces with the same ease. This latter aspect is important for the calculation of the nonlinear optical properties of phosphorene. We find that our results are in agreement with calculations based both on the Bethe-Salpeter equation and on Monte Carlo simulations, which are computationally much more demanding. Our approach thus introduces a simple, viable, and accurate method to address the problem of excitons in anisotropic two-dimensional materials.N.M.R.P. acknowledges support from the European Commission through the project "Graphene-Driven Revolutions in ICT and Beyond" (Reference No. 785219) and the Portuguese Foundation for Science and Technology (FCT) in the framework of the Strategic Financing UID/FIS/04650/2019. In addition, N.M.R.P. acknowledges COMPETE2020, PORTUGAL2020, FEDER, and the FCT through Projects No. PTDC/FIS-NAN/3668/2013, No. POCI-01-0145-FEDER-028114, No. POCI-01-0145FEDER-029265, No. PTDC/NAN-OPT/29265/2017, and No. POCI-01-0145-FEDER-02888. The authors acknowledge P. A. Goncalves and R. Ribeiro for a critical reading of the manuscript

A Virtual ‘experiential expert’ communities of practice in sharing evidence based prevention of novel psychoactive substance (NPS) use: The Portuguese experience

We present findings from a unique virtual community of practice piloted to support a programme of prevention evidence and knowledge sharing among professional prevention practitioners as ‘experiential experts’ around tackling novel psychoactive substances (NPS) use in Portugal. A mixed-methods approach that combined quantitative analysis of interactions and qualitative content analysis of debates about NPS, NPS users, patterns of use and best practices in prevention of this type of drug use was conducted. Results show low and irregular interactions between members of this virtual community, but very rich discussions around sharing of experiences and problematizing practices. We discuss the layers of interaction between members, and the shared learning around policy and practice implications. Such virtual and collaborative work practices are not yet integrated within the drug prevention field where instead individualistic approaches tend to prevail and preclude the sharing of alternative solutions that shape different experiences. Our virtual community of NPS prevention experts provides a flagship for ongoing collaboration between research, generation of evidence informing policy and practice, professional training, support and shared learning. It underscores the need for an innovative and multi-disciplinary approach to sharing perspectives in tackling emerging and harmful drug trends.info:eu-repo/semantics/acceptedVersio