First-Principle Description of Correlation Effects in Layered Materials

We present a first-principles description of anisotropic materials characterized by having both weak (dispersion-like) and strong covalent bonds, based on the Adiabatic--Connection Fluctuation--Dissipation Theorem within Density Functional Theory. For hexagonal boron nitride the in-plane and out of plane bonding as well as vibrational dynamics are well described both at equilibrium and when the layers are pulled apart. Also bonding in covalent and ionic solids is described. The formalism allows to ping-down the deficiencies of common exchange-correlation functionals and provides insight towards the inclusion of dispersion interactions into the correlation functional.Comment: Accepted for publication in Physical Review Letter

Excitons in boron nitride nanotubes: dimensionality effects

We show that the optical absorption spectra of boron nitride (BN) nanotubes are dominated by strongly bound excitons. Our first-principles calculations indicate that the binding energy for the first and dominant excitonic peak depends sensitively on the dimensionality of the system, varying from 0.7 eV in bulk hexagonal BN via 2.1 eV in the single sheet of BN to more than 3 eV in the hypothetical (2,2) tube. The strongly localized nature of this exciton dictates the fast convergence of its binding energy with increasing tube diameter towards the sheet value. The absolute position of the first excitonic peak is almost independent of the tube radius and system dimensionality. This provides an explanation for the observed "optical gap" constancy for different tubes and bulk hBN [R. Arenal et al., to appear in Phys. Rev. Lett. (2005)].Comment: 5 pages, 2 figure

Which is the temperature of granular systems? A mean field model of free cooling inelastic mixtures

We consider a mean field model describing the free cooling process of a two component granular mixture, a generalization of so called Maxwell model. The cooling is viewed as an ordering process and the scaling behavior is attributed to the presence of an attractive fixed point at $v=0$ for the dynamics. By means of asymptotic analysis of the Boltzmann equation and of numerical simulations we get the following results: 1)we establish the existence of two different partial granular temperatures, one for each component, which violates the Zeroth Law of Thermodynamics; 2) we obtain the scaling form of the two distribution functions; 3) we prove the existence of a continuous spectrum of exponents characterizing the inverse-power law decay of the tails of the velocity, which generalizes the previously reported value 4 for the pure model; 4) we find that the exponents depend on the composition, masses and restitution coefficients of the mixture; 5) we also remark that the reported distributions represent a dynamical realization of those predicted by the Non Extensive Statistical Mechanics, in spite of the fact that ours stem from a purely dynamical approach.Comment: 23 pages, 9 figures. submitted for publicatio

Young drivers’ pedestrian anti-collision braking operation data modelling for ADAS development

Smart cities and smart mobility come from intelligent systems designed by humans. Artificial Intelligence (AI) is contributing significantly to the development of these systems, and the automotive industry is the most prominent example of "smart" technology entering the market: there are Advanced Driver Assistance System (ADAS), Radar/LIDAR detection units and camera-based Computer Vision systems that can assess driving conditions. Actually, these technologies have become consumer goods and services in mass-produced vehicles to provide human drivers with tools for a more comfortable and safer driving. Nevertheless, they need to be further improved for progress in the transition to fully automated driving or simply to increase vehicle automation levels. To this end, it becomes imperative to accurately predict driver’s decisions, model human driving behaviors, and introduce more accurate risk assessment metrics. This paper presents a system that can learn to predict the future braking behavior of a driver in a typically urban vehicle-pedestrian conflict, i.e., when a pedestrian enters a zebra crossing from the curb and a vehicle is approaching. The algorithm proposes a sequential prediction of relevant operational indicators that continuously describe the encounter process. A car driving simulator was used to collect reliable data on braking behaviours of a cohort of 68 licensed university students, who faced the same urban scenario. The vehicle speed, steering wheel angle, and pedal activity were recorded as the participants approached the crosswalk, along with the azimuth angle of the pedestrian and the relative longitudinal distance between the vehicle and the pedestrian: the proposed system employs the vehicle information as human driving decisions and the pedestrian information as explanatory variables of the environmental state. In fact, the pedestrian’s polar coordinates are usually calculated by an on-board millimeter-wave radar which is typically used to perceive the environment around a vehicle. All mentioned information is represented in the form of time series data and is used to train a recurrent neural network in a supervised machine learning process. The main purpose of this research is to define a system of behavioral profiles in non-collision conditions that could be used for enhancing the existing intelligent driving systems, e.g., to reduce the number of warnings when the driver is not on a collision course with a pedestrian. Preliminary experiments reveal the feasibility of the proposed system

Preoperative staging of colorectal cancer using virtual colonoscopy: correlation with surgical results

The aim of this study was to evaluate the clinical usefulness of computed tomography colonography (CTC) in the preoperative staging in patients with abdominal pain for occlusive colorectal cancer (CRC) and to compare the results of CTC with the surgical ones

Driven low density granular mixtures

We study the steady state properties of a 2D granular mixture in the presence of energy driving by employing simple analytical estimates and Direct Simulation Monte Carlo. We adopt two different driving mechanisms: a) a homogeneous heat bath with friction and b) a vibrating boundary (thermal or harmonic) in the presence of gravity. The main findings are: the appearance of two different granular temperatures, one for each species; the existence of overpopulated tails in the velocity distribution functions and of non trivial spatial correlations indicating the spontaneous formation of cluster aggregates. In the case of a fluid subject to gravity and to a vibrating boundary, both densities and temperatures display non uniform profiles along the direction normal to the wall, in particular the temperature profiles are different for the two species while the temperature ratio is almost constant with the height. Finally, we obtained the velocity distributions at different heights and verified the non gaussianity of the resulting distributions.Comment: 19 pages, 12 figures, submitted for publicatio

Anomalous Aharonov--Bohm gap oscillations in carbon nanotubes

The gap oscillations caused by a magnetic flux penetrating a carbon nanotube represent one of the most spectacular observation of the Aharonov-Bohm effect at the nano--scale. Our understanding of this effect is, however, based on the assumption that the electrons are strictly confined on the tube surface, on trajectories that are not modified by curvature effects. Using an ab-initio approach based on Density Functional Theory we show that this assumption fails at the nano-scale inducing important corrections to the physics of the Aharonov-Bohm effect. Curvature effects and electronic density spilled out of the nanotube surface are shown to break the periodicity of the gap oscillations. We predict the key phenomenological features of this anomalous Aharonov-Bohm effect in semi-conductive and metallic tubes and the existence of a large metallic phase in the low flux regime of Multi-walled nanotubes, also suggesting possible experiments to validate our results.Comment: 7 figure

Steady state properties of a mean field model of driven inelastic mixtures

We investigate a Maxwell model of inelastic granular mixture under the influence of a stochastic driving and obtain its steady state properties in the context of classical kinetic theory. The model is studied analytically by computing the moments up to the eighth order and approximating the distributions by means of a Sonine polynomial expansion method. The main findings concern the existence of two different granular temperatures, one for each species, and the characterization of the distribution functions, whose tails are in general more populated than those of an elastic system. These analytical results are tested against Monte Carlo numerical simulations of the model and are in general in good agreement. The simulations, however, reveal the presence of pronounced non-gaussian tails in the case of an infinite temperature bath, which are not well reproduced by the Sonine method.Comment: 23 pages, 10 figures, submitted for publicatio

Photo-Induced Bandgap Renormalization Governs the Ultrafast Response of Single-Layer MoS2.

Transition metal dichalcogenides (TMDs) are emerging as promising two-dimensional (2D) semiconductors for optoelectronic and flexible devices. However, a microscopic explanation of their photophysics, of pivotal importance for the understanding and optimization of device operation, is still lacking. Here, we use femtosecond transient absorption spectroscopy, with pump pulse tunability and broadband probing, to monitor the relaxation dynamics of single-layer MoS2 over the entire visible range, upon photoexcitation of different excitonic transitions. We find that, irrespective of excitation photon energy, the transient absorption spectrum shows the simultaneous bleaching of all excitonic transitions and corresponding red-shifted photoinduced absorption bands. First-principle modeling of the ultrafast optical response reveals that a transient bandgap renormalization, caused by the presence of photoexcited carriers, is primarily responsible for the observed features. Our results demonstrate the strong impact of many-body effects in the transient optical response of TMDs even in the low-excitation-density regime