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Wyszukujesz frazę "molecular dynamics" wg kryterium: Temat

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    Wyświetlanie 1-4 z 4
    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
    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
      Wyświetlanie 1-4 z 4

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