Magnetic properties of (Fe1−x_{1-x}Cox_x)2_2B alloys and the effect of doping by 5dd elements

We have explored, computationally and experimentally, the magnetic properties of \fecob{} alloys. Calculations provide a good agreement with experiment in terms of the saturation magnetization and the magnetocrystalline anisotropy energy with some difficulty in describing Co$_2$B, for which it is found that both full potential effects and electron correlations treated within dynamical mean field theory are of importance for a correct description. The material exhibits a uniaxial magnetic anisotropy for a range of cobalt concentrations between $x=0.1$ and $x=0.5$. A simple model for the temperature dependence of magnetic anisotropy suggests that the complicated non-monotonous temperature behaviour is mainly due to variations in the band structure as the exchange splitting is reduced by temperature. Using density functional theory based calculations we have explored the effect of substitutional doping the transition metal sublattice by the whole range of 5$d$ transition metals and found that doping by Re or W elements should significantly enhance the magnetocrystalline anisotropy energy. Experimentally, W doping did not succeed in enhancing the magnetic anisotropy due to formation of other phases. On the other hand, doping by Ir and Re was successful and resulted in magnetic anisotropies that are in agreement with theoretical predictions. In particular, doping by 2.5~at.\% of Re on the Fe/Co site shows a magnetocrystalline anisotropy energy which is increased by 50\% compared to its parent (Fe$_{0.7}$Co$_{0.3}$)$_2$B compound, making this system interesting, for example, in the context of permanent magnet replacement materials or in other areas where a large magnetic anisotropy is of importance.Comment: 15 pages 17 figure

Two-component {CH} system: Inverse Scattering, Peakons and Geometry

An inverse scattering transform method corresponding to a Riemann-Hilbert problem is formulated for CH2, the two-component generalization of the Camassa-Holm (CH) equation. As an illustration of the method, the multi - soliton solutions corresponding to the reflectionless potentials are constructed in terms of the scattering data for CH2.Comment: 22 pages, 3 figures, draft, please send comment

Subexponential estimations in Shirshov's height theorem (in English)

In 1993 E. I. Zelmanov asked the following question in Dniester Notebook: "Suppose that F_{2, m} is a 2-generated associative ring with the identity x^m=0. Is it true, that the nilpotency degree of F_{2, m} has exponential growth?" We show that the nilpotency degree of l-generated associative algebra with the identity x^d=0 is smaller than Psi(d,d,l), where Psi(n,d,l)=2^{18} l (nd)^{3 log_3 (nd)+13}d^2. We give the definitive answer to E. I. Zelmanov by this result. It is the consequence of one fact, which is based on combinatorics of words. Let l, n and d>n be positive integers. Then all the words over alphabet of cardinality l which length is greater than Psi(n,d,l) are either n-divided or contain d-th power of subword, where a word W is n-divided, if it can be represented in the following form W=W_0 W_1...W_n such that W_1 >' W_2>'...>'W_n. The symbol >' means lexicographical order here. A. I. Shirshov proved that the set of non n-divided words over alphabet of cardinality l has bounded height h over the set Y consisting of all the words of degree <n. Original Shirshov's estimation was just recursive, in 1982 double exponent was obtained by A.G.Kolotov and in 1993 A.Ya.Belov obtained exponential estimation. We show, that h<Phi(n,l), where Phi(n,l) = 2^{87} n^{12 log_3 n + 48} l. Our proof uses Latyshev idea of Dilworth theorem application.Comment: 21 pages, Russian version of the article is located at the link arXiv:1101.4909; Sbornik: Mathematics, 203:4 (2012), 534 -- 55

Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis

© 2016 American Chemical Society.This paper describes the Structural and Physico-Chemical Interpretation (SPCI) approach, which is an extension of a recently reported method for interpretation of quantitative structure-activity relationship (QSAR) models. This approach can efficiently be used to reveal structural motifs and the major physicochemical factors affecting the investigated properties. Its efficacy was demonstrated both on the classical Free-Wilson data set and on several data sets with different end points (permeability of the blood-brain barrier, fibrinogen receptor antagonists, acute oral toxicity). Structure-activity patterns extracted from QSAR models with SPCI were in good correspondence with experimentally observed relationships and molecular docking, regardless of the machine learning method used. Comparison of SPCI with the matched molecular pair (MMP) method clearly shows an advantage of our approach over MMP, especially for small or structurally diverse data sets. The developed approach has been implemented in the SPCI software tool with a graphical user interface, which is publicly available at http://qsar4u.com/pages/sirms-qsar.php

THERMAL RADIATION FROM MAGNETIZED NEUTRON STARS: A look at the Surface of a Neutron Star.

Surface thermal emission has been detected by ROSAT from four nearby young neutron stars. Assuming black body emission, the significant pulsations of the observed light curves can be interpreted as due to large surface temperature differences produced by the effect of the crustal magnetic field on the flow of heat from the hot interior toward the cooler surface. However, the energy dependence of the modulation observed in Geminga is incompatible with blackbody emission: this effect will give us a strong constraint on models of the neutron star surface.Comment: 10 pages. tar-compressed and uuencoded postcript file. talk given at the `Jubilee Gamow Seminar', St. Petersburg, Sept. 1994

Measurement of the Solar Neutrino Capture Rate by the Russian-American Gallium Solar Neutrino Experiment During One Half of the 22-Year Cycle of Solar Activity

We present the results of measurements of the solar neutrino capture rate in gallium metal by the Russian-American Gallium Experiment SAGE during slightly more than half of a 22-year cycle of solar activity. Combined analysis of the data of 92 runs during the 12-year period January 1990 through December 2001 gives a capture rate of solar neutrinos with energy more than 233 keV of 70.8 +5.3/-5.2 (stat.) +3.7/-3.2 (syst.) SNU. This represents only slightly more than half of the predicted standard solar model rate of 128 SNU. We give the results of new runs beginning in April 1998 and the results of combined analysis of all runs since 1990 during yearly, monthly, and bimonthly periods. Using a simple analysis of the SAGE results combined with those from all other solar neutrino experiments, we estimate the electron neutrino pp flux that reaches the Earth to be (4.6 +/- 1.1) E10/(cm^2-s). Assuming that neutrinos oscillate to active flavors the pp neutrino flux emitted in the solar fusion reaction is approximately (7.7 +/- 1.8) E10/(cm^2-s), in agreement with the standard solar model calculation of (5.95 +/- 0.06) E10/(cm^2-s).Comment: English translation of article submitted to Russian journal Zh. Eksp. Teor. Fiz. (JETP); 12 pages, 5 figures. V2: Added winter-summer difference and 2 reference

Dynamics of Barred Galaxies

Some 30% of disc galaxies have a pronounced central bar feature in the disc plane and many more have weaker features of a similar kind. Kinematic data indicate that the bar constitutes a major non-axisymmetric component of the mass distribution and that the bar pattern tumbles rapidly about the axis normal to the disc plane. The observed motions are consistent with material within the bar streaming along highly elongated orbits aligned with the rotating major axis. A barred galaxy may also contain a spheroidal bulge at its centre, spirals in the outer disc and, less commonly, other features such as a ring or lens. Mild asymmetries in both the light and kinematics are quite common. We review the main problems presented by these complicated dynamical systems and summarize the effort so far made towards their solution, emphasizing results which appear secure. (Truncated)Comment: This old review appeared in 1993. Plain tex with macro file. 82 pages 18 figures. A pdf version with figures at full resolution (3.24MB) is available at http://www.physics.rutgers.edu/~sellwood/bar_review.pd

Zero Frequency Current Noise for the Double Tunnel Junction Coulomb Blockade

We compute the zero frequency current noise numerically and in several limits analytically for the coulomb blockade problem consisting of two tunnel junctions connected in series. At low temperatures over a wide range of voltages, capacitances, and resistances it is shown that the noise measures the variance in the number of electrons in the region between the two tunnel junctions. The average current, on the other hand, only measures the mean number of electrons. Thus, the noise provides additional information about transport in these devices which is not available from measuring the current alone.Comment: 33 pages, 10 figure

Virtual screening, synthesis and biological evaluation of DNA intercalating antiviral agents

© 2017 Elsevier Ltd This paper describes computer-aided design of new anti-viral agents against Vaccinia virus (VACV) potentially acting as nucleic acid intercalators. Earlier obtained experimental data for DNA intercalation affinities and activities against Vesicular stomatitis virus (VSV) have been used to build, respectively, pharmacophore and QSAR models. These models were used for virtual screening of a database of 245 molecules generated around typical scaffolds of known DNA intercalators. This resulted in 12 hits which then were synthesized and tested for antiviral activity against VaV together with 43 compounds earlier studied against VSV. Two compounds displaying high antiviral activity against VaV and low cytotoxicity were selected for further antiviral activity investigations