Descripción: In the present work, we study the effect of translational-rotational hydrodynamic coupling on the stationary electric linear dichroism of DNA fragments. The theoretical resolution of the problem has, so far, been dealt with analytic methods valid only in the limit of low electric fields. In this work, we apply numerical methods that allow us to study the problem and also consider electric fields of arbitrary strength. We use the bent rod molecules model to describe DNA fragments with physical properties characterized by their electric charge, electric polarizability tensor, rotational diffusion tensor, and translation-rotation coupling diffusion tensor. The necessary orientational distribution function to calculate electric dichroism is obtained by solving the Fokker-Planck equation through the finite difference method. We analyze the different contributions due to electric polarizability and translational- rotational coupling to the electric dichroism. © 2011 American Institute of Physics.

Descripción: We study the effect of translational-rotational hydrodynamic coupling on the transient electric linear dichroism of DNA fragments in aqueous solution. As opposed to previous theoretical works, where analytic solutions valid in the limit of low electric field were reported, we present here a numerical approach which allows to obtain numerical results valid independently from the applied electric field strength. Numerical procedures here used are an extension to the transient-state of those developed in a previous work for the study of the problem in the steady-state. The molecular orientational processes induced by an electric field is characterized with statistical arguments solving the Fokker-Planck equation by means of the finite difference method to know the orientational distribution function of molecules. © 2013 American Institute of Physics.

Descripción: Multilevel resistance states in silver-manganite interfaces are studied both experimentally and through a realistic model that includes as a main ingredient the oxygen vacancies diffusion under applied electric fields. The switching threshold and amplitude studied through hysteresis switching loops are found to depend critically on the initial state. The associated vacancy profiles further unveil the prominent role of the effective electric field acting at the interfaces. While experimental results validate main assumptions of the model, the simulations allow to disentangle the microscopic mechanisms behind the resistive switching in metal-transition metal oxide interfaces. © 2010 American Institute of Physics.

Descripción: b The effect of anisotropy on the distribution of Earth's conductivity is evaluated by calculating the electromagnetic response of multilayered 2‐D structures. The electric and magnetic fields are expanded in terms of Fourier series, the coefficients being obtained by applying the corresponding boundary conditions on each interface, given by arbitrary analytical functions. Then the results are used to analyse some particular structures. Copyright © 1993, Wiley Blackwell. All rights reserved

Descripción: A numerical study of the space-charge sheath adjacent to the nozzle wall of a cutting torch is presented. The hydrodynamic model corresponds to a collision-dominated sheath and does not assume cold ions, so drift-diffusion-type equations are used. Also an improved expression for the ion-neutral momentum transfer is employed rather than the usual constant ion-mean-free-path or constant ion collision frequency approximations. Assuming a constant electron temperature in the sheath and neglecting the electron inertial term, the continuity and momentum equations for ions and electrons, together with Poisson's equation, were solved for the electric potential, ion velocities (both normal and tangential components), and for the ion and electron densities. It was found that both the ion and electron densities present a sudden drop at the sheath-plasma edge. The ion density continues to decrease slowly inside the sheath, while the electron density presents a virtually zero value everywhere inside the sheath, the electron thermal conduction flux to the nozzle wall being negligible. These wall results thus become thermally isolated in spite of the high electron temperature in its adjacency. For a nozzle biasing voltage close to the gas breakdown, it was found that the electric field value is high, reaching a value of about 9× 106 V m-1 at the exit of the nozzle wall. This value is higher than the average field value across the sheath and is on the order of the breakdown threshold value. This means that an undesired sheath breakdown could occur at the vicinities of the nozzle exit even if the average electric field across the sheath is not strong enough. © 2009 American Institute of Physics.

Descripción: The fourth-rank hypermagnetizability tensor of the benzene molecule has been evaluated at the coupled Hartree-Fock level of accuracy within the conventional common-origin approach, adopting gaugeless basis sets of increasing size and flexibility. The degree of convergence of theoretical tensor components has been estimated allowing for two different coordinate systems. It is shown that a strong magnetic field perpendicular to the plane of the molecule causes a distortion of the electron charge density, which tends to concentrate in the region of the C-C bonds. This charge contraction has a dynamical origin, and can be interpreted as a feedback effect in terms of the classical Lorentz force acting on the electron current density.

Descripción: We have studied the effects of accumulating cyclic electrical pulses of increasing amplitude on the non-volatile resistance state of interfaces made by sputtering a metal (Au, Pt) on top of the surface of a cuprate superconductor YBa2Cu3O7-δ. We have analyzed the influence of the number of applied pulses N on the relative amplitude of the remnant resistance change between the high (RH) and the low (R L) state [( = (R H-R L) / R L] at different temperatures (T). We show that the critical voltage (Vc) needed to produce a resistive switching (RS, i.e., > 0) decreases with increasing N or T. We also find a power law relation between the voltage of the pulses and the number of pulses N 0 required to produce a RS of = 0. This relation remains very similar to the Basquin equation used to describe the stress-fatigue lifetime curves in mechanical tests. This points out to the similarity between the physics of the RS, associated with the diffusion of oxygen vacancies induced by electrical pulses, and the propagation of defects in materials subjected to repeated mechanical stress. © 2013 AIP Publishing LLC.

Descripción: We report experimental results on the magnetic and transport properties of Ag/Co 90Fe 10 multilayers with variable Ag and Co 90Fe 10 thicknesses. The magnetism samples was characterized by magnetization measurements and ferromagnetic resonance spectroscopy. These measurements show that the magnetic layers are in general composed by single-domain particles and that the shape and the size of the magnetic clusters can be changed by using an applied magnetic field (H dep) on deposition. The resistivity of these multilayered systems is described by a mixed model that includes current-in-plane and current perpendicular plane transport contributions. The transport model proposed to explain the experimental results emphasizes the role played by the magnetic entities on the scattering processes and strongly depends on the silver layer thickness. An electrical percolative transition is observed for samples grown at H dep>H* dep while the magnetic properties of these samples still show a granularlike behavior. © 2004 American Institute of Physics.

Descripción: We present experimental measurements and theoretical predictions of ion transport in agar gels during reversible electroporation (ECT) for conditions typical to many clinical studies found in the literature, revealing the presence of pH fronts emerging from both electrodes. These results suggest that pH fronts are immediate and substantial. Since they might give rise to tissue necrosis, an unwanted condition in clinical applications of ECT as well as in irreversible electroporation (IRE) and in electrogenetherapy (EGT), it is important to quantify their extent and evolution. Here, a tracking technique is used to follow the space-time evolution of these pH fronts. It is found that they scale in time as t1/2 characteristic of a predominantly diffusive process. Comparing ECT pH fronts with those arising in electrotherapy (EChT), another treatment applying constant electric fields whose main goal is tissue necrosis, a striking result is observed: anodic acidification is larger in ECT than in EChT, suggesting that tissue necrosis could also be greater. Ways to minimize these adverse effects in ECT are suggested. © 2011 Turjanski et al.

Descripción: We investigate the importance of relativistic effects on NMR shielding constants and chemical shifts of linear HgL2 (L = Cl, Br, I, CH 3) compounds using three different relativistic methods: the fully relativistic four-component approach and the two-component approximations, linear response elimination of small component (LR-ESC) and zeroth-order regular approximation (ZORA). LR-ESC reproduces successfully the four-component results for the C shielding constant in Hg(CH3)2 within 6 ppm, but fails to reproduce the Hg shielding constants and chemical shifts. The latter is mainly due to an underestimation of the change in spin-orbit contribution. Even though ZORA underestimates the absolute Hg NMR shielding constants by ∼2100 ppm, the differences between Hg chemical shift values obtained using ZORA and the four-component approach without spin-density contribution to the exchange-correlation (XC) kernel are less than 60 ppm for all compounds using three different functionals, BP86, B3LYP, and PBE0. However, larger deviations (up to 366 ppm) occur for Hg chemical shifts in HgBr 2 and HgI2 when ZORA results are compared with four-component calculations with non-collinear spin-density contribution to the XC kernel. For the ZORA calculations it is necessary to use large basis sets (QZ4P) and the TZ2P basis set may give errors of ∼500 ppm for the Hg chemical shifts, despite deceivingly good agreement with experimental data. A Gaussian nucleus model for the Coulomb potential reduces the Hg shielding constants by ∼100-500 ppm and the Hg chemical shifts by 1-143 ppm compared to the point nucleus model depending on the atomic number Z of the coordinating atom and the level of theory. The effect on the shielding constants of the lighter nuclei (C, Cl, Br, I) is, however, negligible. © 2011 American Institute of Physics.