Vibrational effects in the quantum dynamics of the H + D_2^+ charge transfer reaction

The H + D_2^+(v=0,1 and 2) charge transfer reaction is studied using an accurate wave packet method, using recently proposed coupled diabatic potential energy surfaces. The state-to-state cross section is obtained for three different channels: non-reactive charge transfer, reactive charge transfer, and exchange reaction. The three processes proceed via the electronic transition from the first excited to the ground electronic state. The cross section for the three processes increases with the initial vibrational excitation. The non-reactive charge transfer process is the dominant channel, whose branching ratio increases with collision energy, and it compares well with experimental measurements at collision energies around 0.5 eV. For lower energies the experimental cross section is considerably higher, suggesting that it corresponds to higher vibrational excitation of D_2^+(v) reactants. Further experimental studies of this reaction and isotopic variants are needed, where conditions are controlled to obtain a better analysis of the vibrational effects of the D_2^+ reagents.Comment: 15 pages, 7 figure

Protein adsorption onto Fe3O4 nanoparticles with opposite surface charge and its impact on cell uptake

Nanoparticles (NPs) engineered for biomedical applications are meant to be in contact with protein-rich physiological fluids. These proteins are usually adsorbed onto the NP surface, forming a swaddling layer called protein corona that influences cell internalization. We present a study on protein adsorption onto different magnetic NPs (MNPs) when immersed in cell culture medium, and how these changes affect the cellular uptake. Two colloids with magnetite cores of 25 nm, same hydrodynamic size and opposite surface charge were in situ coated with (a) positive polyethyleneimine (PEI-MNPs) and (b) negative poly(acrylic acid) (PAA-MNPs). After few minutes of incubation in cell culture medium the wrapping of the MNPs by protein adsorption resulted in a 5-fold size increase. After 24 h of incubation large MNP-protein aggregates with hydrodynamic sizes 1500 to 3000 nm (PAA-MNPs and PEI-MNPs respectively) were observed. Each cluster contained an estimated number of magnetic cores between 450 and 1000, indicating the formation of large aggregates with a "plum pudding" structure of MNPs embedded into a protein network of negative surface charge irrespective of the MNP_core charge. We demonstrated that PEI-MNPs are incorporated in much larger amounts than the PAA-MNPs units. Quantitative analysis showed that SH-SY5Y cells can incorporate 100 per cent of the added PEI-MNPs up to about 100 pg per cell, whereas for PAA-MNPs the uptake was less than 50 percent. The final cellular distribution showed also notable differences regarding partial attachment to the cell membrane. These results highlight the need to characterize the final properties of MNPs after protein adsorption in biological media, and demonstrate the impact of these properties on the internalization mechanisms in neural cells.Comment: 32 pages, 10 figure

Pion and Kaon Decay Constants: Lattice vs. Resonance Chiral Theory

The Lattice results for the pion and kaon decay constants are analysed within the Resonance Chiral Theory framework in the large NC limit. The approximately linear behaviour of the observable at large light-quark mass is explained through the interaction with the lightest multiplet of scalar resonances. The analysis of the Lattice results allows to obtain the resonance mass MS=1049 +- 25 MeV and the Chiral Perturbation Theory parameters at leading order in 1/NC.Comment: 10 pages, 2 figure

Wave packet dynamics of entangled two-mode states

We consider a model Hamiltonian describing the interaction of a single-mode radiation field with the atoms of a nonlinear medium, and study the dynamics of entanglement for specific non-entangled initial states of interest: namely, those in which the field mode is initially in a Fock state, a coherent state, or a photon-added coherent state. The counterparts of near-revivals and fractional revivals are shown to be clearly identifiable in the entropy of entanglement. The ``overlap fidelity'' of the system is another such indicator, and its behaviour corroborates that of the entropy of entanglement in the vicinity of near-revivals. The expectation values and higher moments of suitable quadrature variables are also examined, with reference to possible squeezing and higher-order squeezing.Comment: 18 pages, 7 figure

Setting up tunneling conditions by means of Bohmian mechanics

Usually tunneling is established after imposing some matching conditions on the (time-independent) wave function and its first derivative at the boundaries of a barrier. Here an alternative scheme is proposed to determine tunneling and estimate transmission probabilities in time-dependent problems, which takes advantage of the trajectory picture provided by Bohmian mechanics. From this theory a general functional expression for the transmission probability in terms of the system initial state can be reached. This expression is used here to analyze tunneling properties and estimate transmissions in the case of initial Gaussian wave packets colliding with ramp-like barriers.Comment: 18 pages, 4 figure

Technical Evolution of Ceramic Tile Printing

[EN] Ceramic tile decorating techniques have evolved significantly in recent years. Digital inkjet printing technology has enabled digital systems to be used for the direct decoration of ceramic tiles, revolutionizing ceramic tile decoration and providing many advantages over traditional decoration techniques. It was the formulation of inks with soluble and vitrifiable stains that allowed inkjet printing technology to be introduced into ceramic tile decoration. The incorporation of milled inorganic pigments into the inks broadened the available color palette. However, the colloidal instability of these inks and the constraints of the printing heads themselves made it necessary to reduce pigment particle size, thus limiting color saturation and the color gamut. In order to increase color saturation and obtain a set of pigmented inks with colors more closely resembling CMYK colors, pigments with larger particle sizes need to be used. Indeed, other digital decorating techniques, such as xerography, allow larger particle sizes to be used, while also providing the advantages associated with digital decoration. However, the implementation of this technique for ceramic tile decoration requires the development of appropriate ceramic toners and adaptation of printing machines. This article reviews the technical evolution of ceramic tile printing and describes the development of a prototype, based on xerographic printing, that is able to print ceramic tiles directly and provides greater color intensity and a wider color gamut.40140756

Complex dynamics of elementary cellular automata emerging from chaotic rules

We show techniques of analyzing complex dynamics of cellular automata (CA) with chaotic behaviour. CA are well known computational substrates for studying emergent collective behaviour, complexity, randomness and interaction between order and chaotic systems. A number of attempts have been made to classify CA functions on their space-time dynamics and to predict behaviour of any given function. Examples include mechanical computation, \lambda{} and Z-parameters, mean field theory, differential equations and number conserving features. We aim to classify CA based on their behaviour when they act in a historical mode, i.e. as CA with memory. We demonstrate that cell-state transition rules enriched with memory quickly transform a chaotic system converging to a complex global behaviour from almost any initial condition. Thus just in few steps we can select chaotic rules without exhaustive computational experiments or recurring to additional parameters. We provide analysis of well-known chaotic functions in one-dimensional CA, and decompose dynamics of the automata using majority memory exploring glider dynamics and reactions

On the generalized logistic random differential equation: Theoretical analysis and numerical simulations with real-world data

[EN] Based on the previous literature about the random logistic and Gompertz models, the aim of this paper is to extend the investigations to the generalized logistic differential equation in the random setting. First, this is done by rigorously constructing its solution in two different ways, namely, the sample-path approach and the mean-square calculus. Secondly, the probability density function at each time instant is derived in two ways: by applying the random variable transformation technique and by solving the associated Liouville's partial differential equation. It is also proved that both the stochastic solution and its density function converge, under specific conditions, to the corresponding solution and density function of the logistic and Gompertz models, respectively. The investigation finishes showing some examples, where a number of computational techniques are combined to construct reliable approximations of the probability density of the stochastic solution. In particular, we show, step-by-step, how our findings can be applied to a real-world problem. (c) 2022 The Author(s). Published by Elsevier B.V.This work has been supported by the Spanish Agencia Estatal de Investigacion grant PID2020-115270GB-I00. Vicente Bevia acknowledges the doctorate scholarship granted by Programa de Ayudas de Investigacion y Desarrollo (PAID), Universitat Politecnica de Valencia.Bevia, V.; Calatayud-Gregori, J.; Cortés, J.; Jornet-Sanz, M. (2023). On the generalized logistic random differential equation: Theoretical analysis and numerical simulations with real-world data. Communications in Nonlinear Science and Numerical Simulation. 116. https://doi.org/10.1016/j.cnsns.2022.10683211

Non elliptic SPDEs and ambit fields: existence of densities

Relying on the method developed in [debusscheromito2014], we prove the existence of a density for two different examples of random fields indexed by (t,x)\in(0,T]\times \Rd. The first example consists of SPDEs with Lipschitz continuous coefficients driven by a Gaussian noise white in time and with a stationary spatial covariance, in the setting of [dalang1999]. The density exists on the set where the nonlinearity $\sigma$ of the noise does not vanish. This complements the results in [sanzsuess2015] where $\sigma$ is assumed to be bounded away from zero. The second example is an ambit field with a stochastic integral term having as integrator a L\'evy basis of pure-jump, stable-like type.Comment: 23 page