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    Wyświetlanie 1-8 z 8
    Tytuł:
    The structure of rarefied and densified PbSiO3 glass: a molecular dynamics study
    Autorzy:
    Bergmański, G.
    Białoskórski, M.
    Rychcik-Leyk, M.
    Witkowska, A.
    Rybicki, J.
    Mancini, G.
    Frigio, S.
    Feliziani, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1954073.pdf
    Data publikacji:
    2004
    Wydawca:
    Politechnika Gdańska
    Tematy:
    oxide glasses
    structure of glasses
    ring analysis
    MD simulations
    Opis:
    The paper is a molecular dynamics (MD) study of the structure of rarefied and densified lead-silicate glass of the PbSiO3 composition. Simulations have been performed in the constant volume regime for systems with densities of 3000, 4000, 5000, 5970 (normal density), 7000 and 8000kg/m3, using a two-body potential (Born-Mayer repulsive forces and Coulomb forces due to full ionic charges). All the systems were initially prepared as well equilibrated hot melts, and then slowly cooled down to 300K. The information on short-range correlations was obtained in a conventional way (from radial and angular distribution functions), while the middle-range order was studied via cation-anion ring analysis, using our new programme for basal ring determination. The structure of rarefied and densified glasses is compared with the structure of the same glasses under normal conditions. Moreover, the present results on PbSiO3 glass are compared with the corresponding data previously obtained for rarefied and densified PbGeO3 glass (Rybicki et al. 2001 Comput. Met. Sci. Technol. 7 91-112).
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2004, 8, 3; 393-412
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    The structure of Pb-PbO-SiO2 glass via molecular dynamics simulation
    Autorzy:
    Rybicki, J.
    Witkowska, A.
    Bergmański, G.
    Mancini, G.
    Feliziani, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1954650.pdf
    Data publikacji:
    2022-01-20
    Wydawca:
    Politechnika Gdańska
    Tematy:
    lead-silicate glasses
    oxide glasses
    medium-range order
    ring analysis
    molecular dynamics simulations
    Opis:
    The paper is dedicated to a molecular dynamics (MD) study of the structure of partially reduced lead-silicate glass of composition 1Pb 1PbO 1SiO2. The simulations have been performed in the constant volume regime, using a two-body potential (Born-Mayer repulsive forces, and Coulomb forces due to full ionic charges). The system was initially prepared as a well equilibrated hot melt, and then slowly cooled down to 300K. The information on short-range correlations were obtained in a conventional way (from pair and angular distribution functions), while the medium-range order was studied via cation-anion ring analysis. In the paper, the short- and medium-range order in the simulated system is discussed and compared with the structure of a glassy completely reduced system, i.e. 2Pb 1SiO2 and unreduced one, i.e. 2PbO 1SiO2 glass.
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2003, 7, 2; 243-256
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Short- and medium-range order in bismuth-silicate glasses: a solecular dynamics study
    Autorzy:
    Witkowska, A.
    Rybicki, J.
    Laskowski, R.
    Mancini, G.
    Feliziani, S.
    Alda, W.
    Powiązania:
    https://bibliotekanauki.pl/articles/1954531.pdf
    Data publikacji:
    1999
    Wydawca:
    Politechnika Gdańska
    Tematy:
    structure of matter
    oxide glasses
    MD simulations
    Opis:
    We report on the results of classical molecular dynamics (MD) simulations of str ucture of amorphous 15 Bi2O3 85 SiO2 [% mol] and 40 Bi2O3 60 SiO2 [% mol], and their totally reduced forms, 15 Bi2 85 SiO2 [% mol], and 40 Bi2 60 SiO2 [% mol], respectively. The simulations have been perfo rmed in the isobaric-isoenthalpic ensemble, using a two-body interaction potential. The set of the potential parameters was constructed as a suitable com bination of the parameters which were previously proposed for pure Bi2O3, and SiO2. Both unreduced, and reduced sy stems were initially prepared as well equilibrated hot melts, and then slowly co oled down to 300K. The structural information from the MD simulations was obtained from radial and angular distribution functions, static structural factors, Voronoi polyhedra sta tistics, and ring analysis. The simulation results can be summarised as follows. In unreduced glass with 15% [mol] Bi2O3 contents, the silicon structural units (mainly regular tetrahedra) form continuous network, whereas in 40% [mol] Bi2O3 glass these units are disconnected. In both unreduced systems Bi ions have mainly six-fold oxygen co-ordination, and no dominating structural unit can be individuated. However, the distorted bismu th units form a continuous network. In both totally reduced glasses (15% Bi2 85% SiO2, and 40% Bi2 60% SiO2 [% mol]), the silica network is built entirely from corner shari ng SiO4 tetrahedra. The structure of the silica subsystem is similar to that of pure *-SiO2. After the reduction, the Bi-Bi co-ordination significantly increases, whereas the first neighbour distance decreases. Moreover, partial static structural fact ors for Bi-Bi pairs indicate that the medium-range order in reduced glasses exhi bits greater periodicity than in unreduced glasses. Neutral Bi atoms form small clusters within the silica matrix.
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 1999, 3, 2; 239-254
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Prevalence of tick-borne pathogens in an urban park in Rome, Italy
    Autorzy:
    Mancini, F.
    Di Luca, M.
    Toma, L.
    Vescio, F.
    Bianchi, R.
    Khoury, C.
    Marini, L.
    Rezza, G.
    Ciervo, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/50139.pdf
    Data publikacji:
    2014
    Wydawca:
    Instytut Medycyny Wsi
    Źródło:
    Annals of Agricultural and Environmental Medicine; 2014, 21, 4
    1232-1966
    Pojawia się w:
    Annals of Agricultural and Environmental Medicine
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Entanglement Properties and Phase Diagram of the Two-Orbital Atomic Hubbard Model
    Autorzy:
    Avella, A.
    Mancini, F.
    Scelza, G.
    Chaturvedi, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1813770.pdf
    Data publikacji:
    2008-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.10.-w
    71.10.Fd
    71.27.+a
    Opis:
    We study the two-orbital Hubbard model in the limit of vanishing kinetic energy. The phase diagram in the V-J plane, with V and J denoting the interorbital hybridization and exchange coupling respectively, at half filling is obtained. A singlet(dimer)-triplet transition is found for a critical value of the ratio V/J. The entropy of formation, both in the mode and in the particle pictures, presents a jump at the same critical line in conformity with the suggested relation between criticality and entanglement.
    Źródło:
    Acta Physica Polonica A; 2008, 113, 1; 417-420
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    A new program package for structural analysis of computer simulated solids
    Autorzy:
    Bergmański, G.
    Rybicki, J.
    Mancini, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1954546.pdf
    Data publikacji:
    2000
    Wydawca:
    Politechnika Gdańska
    Tematy:
    ring analysis
    structure of matter
    molecular dynamics
    computer modelling
    Opis:
    The opportunity to gain detailed information on representative set of rings and chains of atoms is of great importance in the analysis of medium-range order in the computer simulated structures of solids. A new program package (ANELLI) for ring and chain analysis of computer simulated atomic structures is presented. The paper includes detailed description of input and output files. The package presentation is followed by exemplary results obtained using our programs.
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2000, 4, 4; 555-573
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    A new program package for structural analysis of computer simulated solids
    Autorzy:
    Bergmański, G.
    Rybicki, J.
    Mancini, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1954549.pdf
    Data publikacji:
    2000
    Wydawca:
    Politechnika Gdańska
    Tematy:
    ring analysis
    structure of matter
    molecular dynamics
    computer modelling
    Opis:
    The opportunity to gain detailed information on representative set of rings and chains of atoms is of great importance in the analysis of medium-range order in the computer simulated structures of solids. A new program package (ANELLI) for ring and chain analysis of computer simulated atomic structures is presented. The paper includes detailed description of input and output files. The package presentation is followed by exemplary results obtained using our programs.
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2000, 4, 4; 555-573
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    2D simulations of liquid percolation through model porous media: preliminary MD and DPD results
    Autorzy:
    Rychcik, M.
    Bośko, J.
    Rybicki, J.
    Alda, W.
    Dzwinel, W.
    Mancini, G.
    Fioretti, L.
    Powiązania:
    https://bibliotekanauki.pl/articles/1964080.pdf
    Data publikacji:
    2001
    Wydawca:
    Politechnika Gdańska
    Tematy:
    2D flow simulations
    particle methods
    molecular dynamics
    dissipative particle dynamics method
    Opis:
    In the paper we make a short overview of computer models based on particle approach, which can be suitable for the simulation of fluid flow through porous media. We concentrate on Molecular Dynamics (MD) and Dissipative Particle Dynamics (DPD) methods. We describe main features of our simulation programs, and present and discuss preliminary results of MD and DPD simulations of 2D fluid flow through a simple model rigid porous media. The paper aims at the evaluation of the applicability of MD and DPD methods for simulations of liquid flows in media of complicated geometry.
    Źródło:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2001, 5, 1; 85-97
    1428-6394
    Pojawia się w:
    TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-8 z 8

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