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    Wyświetlanie 1-7 z 7
    Tytuł:
    Model angular distribution functions in CA3, CA4 and CA6 structural units of glassy systems
    Autorzy:
    Bergmański, G.
    Feliziani, S.
    Rybicki, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/1933172.pdf
    Data publikacji:
    2007
    Wydawca:
    Politechnika Gdańska
    Tematy:
    structure of matter
    disordered systems
    short-range order
    stochastic geometry
    Opis:
    We have calculated model partial angular distribution functions (pADFs) in CA3, CA4 and CA6 structural units, i. e. an equilateral triangle with three vertical anions, A, and a central cation, C, a regular tetrahedron with four vertical anions, A, and a central cation, C and a square bipyramid with six vertical anions, A, and a central cation, C. The model pADFs were calculated employing a simple Monte Carlo procedure: the ions were being shifted at random within 3D spheres of radius r with uniform probability density and the AAA, ACA and CAA angles were calculated for each random configuration. Repeating the calculation 10(8) - 10(9) times produced smooth probability densities for the angles' values. Conventional reference data so obtained can be applied to estimate the overall degree of deformation of the considered structural units in numerically simulated materials.
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2007, 11, 3; 185-195
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    The Mott Transition in Disordered Systems
    Autorzy:
    Dobrosavljević, V.
    Kotliar, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1860793.pdf
    Data publikacji:
    1994-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    75.20.Hr
    71.55.Jv
    Opis:
    We review the recent progress in understanding the Mott transition in disordered systems using the mean-field approach to the strong correlation problem. It is based on a new functional integral formulation of the disordered interacting electron problem. The saddle-point solution recovers a mean-field theory of the strong correlation problem, and becomes exact in the limit of large spatial coordination. We compare the results of the mean-field theory with experimental findings and indicate directions for future work.
    Źródło:
    Acta Physica Polonica A; 1994, 85, 1; 21-38
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Role of Correlations and Off-Diagonal Terms in Binary Disordered One-Dimensional Systems
    Autorzy:
    Kosior, A.
    Major, J.
    Płodzień, M.
    Zakrzewski, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/1189984.pdf
    Data publikacji:
    2015-12
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    67.85.-d
    03.75.-b
    73.20.Fz
    73.20.Jc
    Opis:
    We investigate one-dimensional tight binding model in the presence of a correlated binary disorder. The disorder is due to the interaction of particles with heavy immobile other species. Off-diagonal disorder is created by means of a fast periodic modulation of interspecies interaction. The method based on transfer matrix techniques allows us to calculate the energies of extended modes in the correlated binary disorder. We focus on N-mer correlations and regain known results for the case of purely diagonal disorder. For off-diagonal disorder we find resonant energies. We discuss ambiguous properties of those states and compare analytical results with numerical calculations. Separately we describe a special case of the dual random dimer model.
    Źródło:
    Acta Physica Polonica A; 2015, 128, 6; 1002-1007
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Structure and function relationships of proteins based on polar profile: a review
    Autorzy:
    Polanco, Carlos
    Buhse, Thomas
    Uversky, Vladimir
    Powiązania:
    https://bibliotekanauki.pl/articles/1038800.pdf
    Data publikacji:
    2016
    Wydawca:
    Polskie Towarzystwo Biochemiczne
    Tematy:
    amino acids
    polarity profile
    pattern recognition
    dynamical systems theory
    atherosclerosis
    selective antibacterial peptides
    intrinsically disordered proteins
    Opis:
    Proteins in the post-genome era impose diverse research challenges, the main are the understanding of their structure-function mechanism, and the growing need for new pharmaceutical drugs, particularly antibiotics that help clinicians treat the ever- increasing number of Multidrug-Resistant Organisms (MDROs). Although, there is a wide range of mathematical-computational algorithms to satisfy the demand, among them the Quantitative Structure-Activity Relationship algorithms that have shown better performance using a characteristic training data of the property searched; their performance has stagnated regardless of the number of metrics they evaluate and their complexity. This article reviews the characteristics of these metrics, and the need to reconsider the mathematical structure that expresses them, directing their design to a more comprehensive algebraic structure. It also shows how the main function of a protein can be determined by measuring the polarity of its linear sequence, with a high level of accuracy, and how such exhaustive metric stands as a "fingerprint" that can be applied to scan the protein regions to obtain new pharmaceutical drugs, and thus to establish how the singularities led to the specialization of the protein groups known today.
    Źródło:
    Acta Biochimica Polonica; 2016, 63, 2; 229-233
    0001-527X
    Pojawia się w:
    Acta Biochimica Polonica
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    The Fulde-Ferrell-Larkin-Ovchinnikov Superconductivity in Disordered Systems
    Autorzy:
    Ptok, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1537270.pdf
    Data publikacji:
    2010-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    74.20.Fg
    74.20.Mn
    74.20.Rp
    74.25.Dw
    74.81.-g
    Opis:
    The Fulde-Ferrell-Larkin-Ovchinnikov phase, with a spatially oscillating order parameter, may be induced by strongly magnetic field at low temperature. It is believed that the Fulde-Ferrell-Larkin-Ovchinnikov phase can exist only in homogeneous superconductors, and even weak impurity potential can lead to its destruction. The analysis of the Fulde-Ferrell-Larkin-Ovchinnikov phase in the Bogoliubov-de Gennes equation shows however, that this phase can exist in the presence of weak disorder. Using Bogoliubov-de Gennes equations, we discussed the influence of diagonal and off-diagonal disorder on the Fulde-Ferrell-Larkin-Ovchinnikov phase.
    Źródło:
    Acta Physica Polonica A; 2010, 118, 2; 420-422
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Quantum Kinetic Theory of the '$2k_{F}$' Scattering Mechanism for Three-Dimensional Structurally Disordered Systems in the Ioffe-Regel limit
    Autorzy:
    Spisak, B.
    Wołoszyn, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/1402579.pdf
    Data publikacji:
    2015-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.55.Jv
    72.15.Lh
    72.15.Rn
    Opis:
    Effect of the coherent backscattering of the conduction electrons in three-dimensional structurally disordered metals specified by the Ioffe-Regel criterion is considered within the framework of the Morgan-Howson-Šaub theory of localisation which is based on the generalised kinetic equation for the Wigner distribution function and effective medium approximation. A formula for the electrical resistivity including the weak localisation correction is expressed in terms of the dimensionless transport parameter $k_{F}l$. The asymptotic form of the formula is derived and discussed in the context of the diagrammatic approach.
    Źródło:
    Acta Physica Polonica A; 2015, 128, 2; 213-215
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Phase Space Description of Localization in Disordered One-Dimensional Systems
    Autorzy:
    Wołoszyn, M.
    Spisak, B. J.
    Maksymowicz, A. Z.
    Powiązania:
    https://bibliotekanauki.pl/articles/2047103.pdf
    Data publikacji:
    2006-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    73.21.Hb
    73.20.Fz
    71.23.An
    Opis:
    The degree of electronic localization in disordered one-dimensional systems is discussed. The model is simplified to a set of Diracδ-like functions used for the potential in the Schrödinger equation and calculations are carried out for the ground state. The disorder of topological character is introduced by the random shifts of the potential peaks. For comparison, we also discuss two aperiodic systems of the potential peaks: Thue-Morse and Fibonacci sequences. The localization, both in the momentum and the real space, is analyzed for different disorder strengths and sizes of the system. We calculate the localization length, and additionally we express the localization effects in terms of the inverse participation function and also by means of the Husimi quasi-classical distribution function in the phase space of the electron (position, momentum) coordinate system. We present the influence of disorder generated by the random and aperiodic sequences of potential on the energy spectrum.
    Źródło:
    Acta Physica Polonica A; 2006, 110, 4; 523-535
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-7 z 7

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