Nos\'e-Hoover Dynamics in Quantum Phase Space

Thermal fluctuations in time-dependent quantum processes are treated by a constant-temperature generalization of Wigner's formulation of quantum mechanics in phase space. To this end, quantum Nos\`e-Hoover dynamics is defined by generalizing the Moyal bracket. Computational applications of the formalism, together with further theoretical developments, are discussed.Comment: 4 pages, no figure

Test results of a prototype designed to detect horizontal cosmic ray flux

In this paper we report test results from a prototype designed to detect muons from horizontal air shower at large zenith angle, $86^{0}<\Theta<93^{0}$. To detect horizontal tracks and their directions we select them according the muon vertical equivalent charge and we measure the time of flight with a time resolution of 800 ps. Several measurements are collected at different zenith angles. The background studies performed with two modules show that the main source is due to tracks crossing the module at the same time. The upper limit of background flux for a single twin module is estimated to be $10^{-9} cm^{-2}$ $s^{-1}$ $sr^{-1} (90$. We estimated the size of the surface array necessary to detect the shower flux of the order of $10^{-9} cm^{-2}$ $yr^{-1}$ $sr^{-1}$ if originated by Tau Air-Showers secondaries of GZK neutrino Tau below the horizons.Comment: 12 pages, 13 figure

Coarse-graining MARTINI model for molecular-dynamics simulations of the wetting properties of graphitic surfaces with non-ionic, long-chain and T-shaped surfactants

We report on a molecular dynamics investigation of the wetting properties of graphitic surfaces by various solutions at concentrations 1-8 wt% of commercially available non-ionic surfactants with long hydrophilic chains, linear or T-shaped. These are surfactants of length up to 160 [\AA]. It turns out that molecular dynamics simulations of such systems ask for a number of solvent particles that can be reached without seriously compromising computational efficiency only by employing a coarse-grained model. The MARTINI force field with polarizable water offers a framework particularly suited for the parameterization of our systems. In general, its advantages over other coarse-grained models are the possibility to explore faster long time scales and the wider range of applicability. Although the accuracy is sometimes put under question, the results for the wetting properties by pure water are in good agreement with those for the corresponding atomistic systems and theoretical predictions. On the other hand, the bulk properties of various aqueous surfactant solutions indicate that the micellar formation process is too strong. For this reason, a typical experimental configuration is better approached by preparing the droplets with the surfactants arranged in the initial state in the vicinity of contact line. Cross-comparisons are possible and illuminating, but equilibrium contanct angles as obtained from simulations overestimate the experimental results. Nevertheless, our findings can provide guidelines for the preliminary assessment and screening of surfactants. [See pdf file for full abstract]Comment: Revised version. Publication: http://dx.doi.org/10.1063/1.4747827. Material: https://sites.google.com/site/material4sim

Deterministic constant-temperature dynamics for dissipative quantum systems

A novel method is introduced in order to treat the dissipative dynamics of quantum systems interacting with a bath of classical degrees of freedom. The method is based upon an extension of the Nos\`e-Hoover chain (constant temperature) dynamics to quantum-classical systems. Both adiabatic and nonadiabatic numerical calculations on the relaxation dynamics of the spin-boson model show that the quantum-classical Nos\`e-Hoover chain dynamics represents the thermal noise of the bath in an accurate and simple way. Numerical comparisons, both with the constant energy calculation and with the quantum-classical Brownian motion treatment of the bath, show that the quantum-classical Nos\`e-Hoover Chain dynamics can be used to introduce dissipation in the evolution of a quantum subsystem even with just one degree of freedom for the bath. The algorithm can be computationally advantageous in modeling, within computer simulation, the dynamics of a quantum subsystem interacting with complex molecular environments.Comment: Revised versio

On the Geometry and Entropy of Non-Hamiltonian Phase Space

We analyze the equilibrium statistical mechanics of canonical, non-canonical and non-Hamiltonian equations of motion by throwing light into the peculiar geometric structure of phase space. Some fundamental issues regarding time translation and phase space measure are clarified. In particular, we emphasize that a phase space measure should be defined by means of the Jacobian of the transformation between different types of coordinates since such a determinant is different from zero in the non-canonical case even if the phase space compressibility is null. Instead, the Jacobian determinant associated with phase space flows is unity whenever non-canonical coordinates lead to a vanishing compressibility, so that its use in order to define a measure may not be always correct. To better illustrate this point, we derive a mathematical condition for defining non-Hamiltonian phase space flows with zero compressibility. The Jacobian determinant associated with time evolution in phase space is altogether useful for analyzing time translation invariance. The proper definition of a phase space measure is particularly important when defining the entropy functional in the canonical, non-canonical, and non-Hamiltonian cases. We show how the use of relative entropies can circumvent some subtle problems that are encountered when dealing with continuous probability distributions and phase space measures. Finally, a maximum (relative) entropy principle is formulated for non-canonical and non-Hamiltonian phase space flows.Comment: revised introductio

Testing Human Ability To Detect Deepfake Images of Human Faces

Deepfakes are computationally-created entities that falsely represent reality. They can take image, video, and audio modalities, and pose a threat to many areas of systems and societies, comprising a topic of interest to various aspects of cybersecurity and cybersafety. In 2020 a workshop consulting AI experts from academia, policing, government, the private sector, and state security agencies ranked deepfakes as the most serious AI threat. These experts noted that since fake material can propagate through many uncontrolled routes, changes in citizen behaviour may be the only effective defence. This study aims to assess human ability to identify image deepfakes of human faces (StyleGAN2:FFHQ) from nondeepfake images (FFHQ), and to assess the effectiveness of simple interventions intended to improve detection accuracy. Using an online survey, 280 participants were randomly allocated to one of four groups: a control group, and 3 assistance interventions. Each participant was shown a sequence of 20 images randomly selected from a pool of 50 deepfake and 50 real images of human faces. Participants were asked if each image was AI-generated or not, to report their confidence, and to describe the reasoning behind each response. Overall detection accuracy was only just above chance and none of the interventions significantly improved this. Participants' confidence in their answers was high and unrelated to accuracy. Assessing the results on a per-image basis reveals participants consistently found certain images harder to label correctly, but reported similarly high confidence regardless of the image. Thus, although participant accuracy was 62% overall, this accuracy across images ranged quite evenly between 85% and 30%, with an accuracy of below 50% for one in every five images. We interpret the findings as suggesting that there is a need for an urgent call to action to address this threat

Wetting and contact-line effects for spherical and cylindrical droplets on graphene layers: A comparative molecular-dynamics investigation

In Molecular Dynamics (MD) simulations, interactions between water molecules and graphitic surfaces are often modeled as a simple Lennard-Jones potential between oxygen and carbon atoms. A possible method for tuning this parameter consists of simulating a water nanodroplet on a flat graphitic surface, measuring the equilibrium contact angle, extrapolating it to the limit of a macroscopic droplet and finally matching this quantity to experimental results. Considering recent evidence demonstrating that the contact angle of water on a graphitic plane is much higher than what was previously reported, we estimate the oxygen-carbon interaction for the recent SPC/Fwwater model. Results indicate a value of about 0.2 kJ/mol, much lower than previous estimations. We then perform simulations of cylindrical water filaments on graphitic surfaces, in order to compare and correlate contact angles resulting from these two different systems. Results suggest that modified Young's equation does not describe the relation between contact angle and drop size in the case of extremely small systems and that contributions different from the one deriving from contact line tension should be taken into account.Comment: To be published on Physical Review E (http://pre.aps.org/

Rotating "Black Holes" with Holes in the Horizon

Kerr-Schild solutions of the Einstein-Maxwell field equations, containing semi-infinite axial singular lines, are investigated. It is shown that axial singularities break up the black hole, forming holes in the horizon. As a result, a tube-like region appears which allows matter to escape from the interior without crossing the horizon. It is argued that axial singularities of this kind, leading to very narrow beams, can be created in black holes by external electromagnetic or gravitational excitations and may be at the origin of astrophysically observable effects such as jet formation.Comment: Revtex, 6 pages, 3 figures. Corrected version. To appear in Phys Rev D, Rapid Communication

Bulgac-Kusnezov-Nos\'e-Hoover thermostats

In this paper we formulate Bulgac-Kusnezov constant temperature dynamics in phase space by means of non-Hamiltonian brackets. Two generalized versions of the dynamics are similarly defined: one where the Bulgac-Kusnezov demons are globally controlled by means of a single additional Nos\'e variable, and another where each demon is coupled to an independent Nos\'e-Hoover thermostat. Numerically stable and efficient measure-preserving time-reversible algorithms are derived in a systematic way for each case. The chaotic properties of the different phase space flows are numerically illustrated through the paradigmatic example of the one-dimensional harmonic oscillator. It is found that, while the simple Bulgac-Kusnezov thermostat is apparently not ergodic, both of the Nos\'e-Hoover controlled dynamics sample the canonical distribution correctly