A new set of relativistic screening constants for the screened hydrogenic model

AnewRelativisticScreenedHydrogenicModel has been developed to calculate atomic data needed to compute the optical and thermodynamic properties of high energy density plasmas. The model is based on anewset of universal screeningconstants, including nlj-splitting that has been obtained by fitting to a large database of ionization potentials and excitation energies. This database was built with energies compiled from the National Institute of Standards and Technology (NIST) database of experimental atomic energy levels, and energies calculated with the Flexible Atomic Code (FAC). The screeningconstants have been computed up to the 5p3/2 subshell using a Genetic Algorithm technique with an objective function designed to minimize both the relative error and the maximum error. To select the best set of screeningconstants some additional physical criteria has been applied, which are based on the reproduction of the filling order of the shells and on obtaining the best ground state configuration. A statistical error analysis has been performed to test the model, which indicated that approximately 88% of the data lie within a ±10% error interval. We validate the model by comparing the results with ionization energies, transition energies, and wave functions computed using sophisticated self-consistent codes and experimental data.

Equation of state for hot dense matter using a relativistic screened hydrogenic model

The study of matter under conditions of high density, pressure, and temperature is a valuable subject for inertial confinement fusion (ICF), astrophysical phenomena, high-power laser interaction with matter, etc. In all these cases, matter is heated and compressed by strong shocks to high pressures and temperatures, becomes partially or completely ionized via thermal or pressure ionization, and is in the form of dense plasma. The thermodynamics and the hydrodynamics of hot dense plasmas cannot be predicted without the knowledge of the equation of state (EOS) that describes how a material reacts to pressure and how much energy is involved. Therefore, the equation of state often takes the form of pressure and energy as functions of density and temperature. Furthermore, EOS data must be obtained in a timely manner in order to be useful as input in hydrodynamic codes. By this reason, the use of fast, robust and reasonably accurate atomic models, is necessary for computing the EOS of a material.

Relativistic description of 3He(e,e'p)2H

The relativistic distorted-wave impulse approximation is used to describe the 3He(e, e′ p)2H process. We describe the 3He nucleus within the adiabatic hyperspherical expansion method with realistic nucleon-nucleon interactions. The overlap between the 3He and the deuteron wave functions can be accurately computed from a three-body calculation. The nucleons are described by solutions of the Dirac equation with scalar and vector (S–V) potentials. The wave function of the outgoing proton is obtained by solving the Dirac equation with a S–V optical potential fitted to elastic proton scattering data on the residual nucleus. Within this theoretical framework, we compute the cross section of the reaction and other observables like the transverse-longitudinal asymmetry, and compare them with the available experimental data measured at JLab.

Relativistic high-current electron-beam stopping-power characterization in solids and plasmas: collisional versus resistive effects.

We present experimental and numerical results on intense-laser-pulse-produced fast electron beams transport through aluminum samples, either solid or compressed and heated by laser-induced planar shock propagation. Thanks to absolute K� yield measurements and its very good agreement with results from numerical simulations, we quantify the collisional and resistive fast electron stopping powers: for electron current densities of � 8 � 1010 A=cm2 they reach 1:5 keV=�m and 0:8 keV=�m, respectively. For higher current densities up to 1012 A=cm2, numerical simulations show resistive and collisional energy losses at comparable levels. Analytical estimations predict the resistive stopping power will be kept on the level of 1 keV=�m for electron current densities of 1014 A=cm2, representative of the full-scale conditions in the fast ignition of inertially confined fusion targets.

Computational study of ligand binding in lipid transfer proteins: Structures, interfaces, and free energies of protein-lipid complexes

Plant nonspecific lipid transfer proteins (nsLTPs) bind a wide variety of lipids, which allows them to perform disparate functions. Recent reports on their multifunctionality in plant growth processes have posed new questions on the versatile binding abilities of these proteins. The lack of binding specificity has been customarily explained in qualitative terms on the basis of a supposed structural flexibility and nonspecificity of hydrophobic protein-ligand interactions. We present here a computational study of protein-ligand complexes formed between five nsLTPs and seven lipids bound in two different ways in every receptor protein. After optimizing geometries inmolecular dynamics calculations, we computed Poisson- Boltzmann electrostatic potentials, solvation energies, properties of the protein-ligand interfaces, and estimates of binding free energies of the resulting complexes. Our results provide the first quantitative information on the ligand abilities of nsLTPs, shed new light into protein-lipid interactions, and reveal new features which supplement commonly held assumptions on their lack of binding specificity.

Relativistic current collection by a cylindrical Langmuir probe

The current I to a cylindrical Langmuir probe with a bias Φp satisfying β≡eΦp/mec2∼O(1) is discussed. The probe is considered at rest in an unmagnetized plasma composed of electrons and ions with temperatureskTe∼kTi≪mec2. For small enough radius, the probe collects the relativistic orbital-motion-limited (OML) current I OML , which is shown to be larger than the non-relativistic result; the OML current is proportional to β1/2 and β3/2 in the limits β≪1 and β≫1, respectively. Unlike the non-relativistic case, the electron density can exceed the unperturbed density value. An asymptotic theory allowed to compute the maximum radius of the probe to collect OML current, the sheath radius for probe radius well below maximum and how the ratio I/I OML drops below unity when the maximum radius is exceeded. A numerical algorithm that solves the Vlasov-Poisson system was implemented and density and potential profiles presented. The results and their implications in a possible mission to Jupiter with electrodynamic bare tethers are discussed density value. An asymptotic theory allowed to compute the maximum radius of the probe to collect OML current, the sheath radius for probe radius well below maximum and how the ratio I/IOML drops below unity when the maximum radius is exceeded. A numerical algorithm that solves the Vlasov-Poisson system was implemented and density and potential profiles presented. The results and their implications in a possible mission to Jupiter with electrodynamic bare tethers are discussed.

Ultra intense laser/plasma interaction at normal incidence: Relativistic mirrors effects, high harmonics generation and absorption.

An analytical study of the relativistic interaction of a linearly-polarized laser-field of w frequency with highly overdense plasma is presented. Very intense high harmonics are generated produced by relativistic mirrors effects due to the relativistic electron plasma oscillation. Also, in agreement with 1D Particle-In-Cell Simulations (PICS), the model self-consistently explains the transition between the sheath inverse bremsstrahlung (SIB) absorption regime and the J×B heating (responsible for the 2w electron bunches), as well as the mean electron energy.

Renewable energies Driven by Feed-on Tariffs. Photovoltaic vs Wind Energy Development in Spain

Although others regulations regarding feed-in tariffs for photovoltaics (PV) existed in Spain previously, the one that meant a paradigm change was the introduction in 2007 of law R.D.661/2007 which established a feed-in tariff of 41,75 cents/kWh if the installed capacity was greater than 100KWp and 44,04 cents/kWh if it was smaller. The high level of the subsidies together with the lack of a limit for the total installed capacity originates the well-known Spanish photovoltaic boom. In September 2008 the installed PV capacity accounted for 3.2GWp (while the official objective stated in the national renewable roadmap was only 400MWp). To avoid this situation a new law, R.D. 1578/2008, was proclaimed which established a decreasing feed-in tariff of 32 cents/kWh (for ground installations) and 34 cents/kWh (for rooftops) and it limited the annual installed capacity to 500MWp. Although it was successful in limiting the PV subsidies total costs, the successive and sudden changes in regulations resulted very harmful to the local PV industry. In this article, the strong influence of feed-in tariff in the development of PV installed capacity and market evolution in Spain will be analyzed in detail. In addition, a comparison with other subsidized technologies which installed capacity has had a smoother evolution, as wind energy, will be presented.

Relativistic screened hydrogenic radial integrals

The computation of dipole matrix elements plays an important role in the study of absorption or emission of radiation by atoms in several fields such as astrophysics or inertial confinement fusion. In this work we obtain closed formulas for the dipole matrix elements of multielectron ions suitable for using in the framework of a Relativistic Screened Hydrogenic Model.

Electricity price forecasting accounting for renewable energies: optimal combined forecasts

Electricity price forecasting is an interesting problem for all the agents involved in electricity market operation. For instance, every profit maximisation strategy is based on the computation of accurate one-day-ahead forecasts, which is why electricity price forecasting has been a growing field of research in recent years. In addition, the increasing concern about environmental issues has led to a high penetration of renewable energies, particularly wind. In some European countries such as Spain, Germany and Denmark, renewable energy is having a deep impact on the local power markets. In this paper, we propose an optimal model from the perspective of forecasting accuracy, and it consists of a combination of several univariate and multivariate time series methods that account for the amount of energy produced with clean energies, particularly wind and hydro, which are the most relevant renewable energy sources in the Iberian Market. This market is used to illustrate the proposed methodology, as it is one of those markets in which wind power production is more relevant in terms of its percentage of the total demand, but of course our method can be applied to any other liberalised power market. As far as our contribution is concerned, first, the methodology proposed by García-Martos et al(2007 and 2012) is generalised twofold: we allow the incorporation of wind power production and hydro reservoirs, and we do not impose the restriction of using the same model for 24h. A computational experiment and a Design of Experiments (DOE) are performed for this purpose. Then, for those hours in which there are two or more models without statistically significant differences in terms of their forecasting accuracy, a combination of forecasts is proposed by weighting the best models(according to the DOE) and minimising the Mean Absolute Percentage Error (MAPE). The MAPE is the most popular accuracy metric for comparing electricity price forecasting models. We construct the combi nation of forecasts by solving several nonlinear optimisation problems that allow computation of the optimal weights for building the combination of forecasts. The results are obtained by a large computational experiment that entails calculating out-of-sample forecasts for every hour in every day in the period from January 2007 to Decem ber 2009. In addition, to reinforce the value of our methodology, we compare our results with those that appear in recent published works in the field. This comparison shows the superiority of our methodology in terms of forecasting accuracy.

Optimal Combined Forecasts for Electricity Prices: Influence of Clean Energies

In this work, an electricity price forecasting model is developed. The performance of the proposed approach is improved by considering renewable energies (wind power and hydro generation) as explanatory variables. Additionally, the resulting forecasts are obtained as an optimal combination of a set of several univariate and multivariate time series models. The large computational experiment carried out using out-of-sample forecasts for every hour and day allows withdrawing statistically sound conclusions

Modelling relativistic solitary wave interactions in over-dense plasmas: a perturbed nonlinear Schröndinger equation framework

We investigate the dynamics of localized solutions of the relativistic cold-fluid plasma model in the small but finite amplitude limit, for slightly overcritical plasma density. Adopting a multiple scale analysis, we derive a perturbed nonlinear Schrödinger equation that describes the evolution of the envelope of circularly polarized electromagnetic field. Retaining terms up to fifth order in the small perturbation parameter, we derive a self-consistent framework for the description of the plasma response in the presence of localized electromagnetic field. The formalism is applied to standing electromagnetic soliton interactions and the results are validated by simulations of the full cold-fluid model. To lowest order, a cubic nonlinear Schrödinger equation with a focusing nonlinearity is recovered. Classical quasiparticle theory is used to obtain analytical estimates for the collision time and minimum distance of approach between solitons. For larger soliton amplitudes the inclusion of the fifth-order terms is essential for a qualitatively correct description of soliton interactions. The defocusing quintic nonlinearity leads to inelastic soliton collisions, while bound states of solitons do not persist under perturbations in the initial phase or amplitude

Fast ignition driven by quasi-monoenergetic ions: Optimal ion type and reduction of ignition energies with an ion beam array

Fast ignition of inertial fusion targets driven by quasi-monoenergetic ion beams is investigated by means of numerical simulations. Light and intermediate ions such as lithium, carbon, aluminum and vanadium have been considered. Simulations show that the minimum ignition energies of an ideal configuration of compressed Deuterium-Tritium are almost independent on the ion atomic number. However, they are obtained for increasing ion energies, which scale, approximately, as Z2, where Z is the ion atomic number. Assuming that the ion beam can be focused into 10 ?m spots, a new irradiation scheme is proposed to reduce the ignition energies. The combination of intermediate Z ions, such as 5.5 GeV vanadium, and the new irradiation scheme allows a reduction of the number of ions required for ignition by, roughly, three orders of magnitude when compared with the standard proton fast ignition scheme.

Ionization energies of amphoteric-doped Cu2ZnSnS4: Photovoltaic application

The substitution of Cu, Sn or Zn in the quaternary Cu2ZnSnS4 semiconductor by impurities that introduce intermediate states in the energy bandgap could have important implications either for photovoltaic or spintronic applications. This allows more generation–recombination channels than for the host semiconductor. We explore and discuss this possibility by obtaining the ionization energies from total energy first-principles calculations. The three substitutions of Cu, Sn and Zn by impurities are analyzed. From these results we have found that several impurities have an amphoteric behavior with the donor and acceptor energies in the energy bandgap. In order to analyze the role of the ionization energies in both the radiative and non-radiative processes, the host energy bandgap and the acceptor and the donor energies have been obtained as a function of the inward and outward impurity-S displacements. We carried out the analysis for both the natural and synthetic CZTS. The results show that the ionization energies are similar, whereas the energy band gaps are different.

Self-consistent relativistic band structure of the CH3NH3PbI3 perovskite

The electronic structure and properties of the orthorhombic phase of the CH 3 NH 3 PbI 3 perovskite are computed with density functional theory. The structure, optimized using a van der Waals functional, reproduces closely the unit cell volume. The experimental band gap is reproduced accurately by combining spin-orbit effects and a hybrid functional in which the fraction of exact exchange is tuned self-consistently to the optical dielectric constant. Including spin-orbit coupling strongly reduces the anisotropy of the effective mass tensor, predicting a low electron effective mass in all crystal directions. The computed binding energy of the unrelaxed exciton agrees with experimental data, and the values found imply a fast exciton dissociation at ambient temperature. Also polaron masses for the separated carriers are estimated. The values of all these parameters agree with recent indications that fast dynamics and large carrier diffusion lengths are key in the high photovoltaic efficiencies shown by these materials.