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    Tytuł:
    Determination of different optical properties for cubic titanium dioxide: an AB-INITIO approach
    Autorzy:
    Dash, Debashish
    Pandey, Chandan K.
    Chaudhury, Saurabh
    Tripathy, Susanta K.
    Powiązania:
    https://bibliotekanauki.pl/articles/102957.pdf
    Data publikacji:
    2018
    Wydawca:
    Stowarzyszenie Inżynierów i Techników Mechaników Polskich
    Tematy:
    DFT
    cubic TiO2
    refractive index
    absorption coefficient
    reflectivity
    TiO2
    współczynnik załamania światła
    współczynnik absorpcji
    współczynnik odbicia
    Opis:
    This paper presents an analysis of optical properties of cubic titanium dioxide (TiO2) using Orthogonalized Linear Combinations of Atomic Orbitals (OLCAO) basis set under the framework of Density Functional Theory (DFT). Many optical properties such as refractive index, extinction coefficient, reflectivity, absorption coefficient, photoconductivity, and loss coefficient have been studied and analyzed thoroughly. From the analysis of optical properties, it is seen that, cubic TiO2 supports interband transition between states. Reflectivity of pyrite structure TiO2 lies within IRvisible – UV region due to which it qualifies for coating industry. Furthermore, the results are compared with previous theoretical as well as with experimental results. It is found that DFT based simulation produces results which are close approximation to experimental results.
    Źródło:
    Advances in Science and Technology. Research Journal; 2018, 12, 3; 223-232
    2299-8624
    Pojawia się w:
    Advances in Science and Technology. Research Journal
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Ultrasonic specific absorption rate in nanoparticle-mediated moderate hyperthermia
    Autorzy:
    Gambin, Barbara
    Kruglenko, Eleonora
    Powiązania:
    https://bibliotekanauki.pl/articles/2173522.pdf
    Data publikacji:
    2021
    Wydawca:
    Polska Akademia Nauk. Czytelnia Czasopism PAN
    Tematy:
    ultrasonic hyperthermia
    agar-based tissue mimicking phantom
    magnetic nanoparticles
    temperature
    specific absorption rate
    SAR
    hipertermia ultradźwiękowa
    fantom imitujący tkankę na bazie agaru
    nanocząstki magnetyczne
    temperatura
    współczynnik absorpcji właściwej
    Opis:
    Magnetic nanoparticle’s different applications in nanomedicine, due to their unique physical properties and biocompatibility, were intensively investigated. Recently, Fe₃O₄ nanoparticles, are confirmed to be the best sonosensitizers to enhance the performance of HIFU (high intensity focused ultrasound). They are also used as thermo-sensitizers in magnetic hyperthermia. A new idea of dual, magneto-ultrasound, coupled hyperthermia allows the ultrasound intensity to be reduced from the high to a moderate level. Our goal is to evaluate the enhancement of thermal effects of focused ultrasound of moderate intensity due to the presence of nanoparticles. We combine experimental results with numerical analysis. Experiments are performed on tissue-mimicking materials made of the 5% agar gel and gel samples containing Fe₃O₄ nanoparticles with φ  = 100 nm with two fractions of 0.76 and 1.53% w/w. Thermocouples registered curves of temperature rising during heating by focused ultrasound transducer with acoustic powers of the range from 1 to 4 W. The theoretical model of ultrasound-thermal coupling is solved in COMSOL Multiphysics. We compared the changes between the specific absorption rates (SAR) coefficients determined from the experimental and numerical temperature rise curves depending on the nanoparticle fractions and applied acoustic powers.We confirmed that the significant role of nanoparticles in enhancing the thermal effect is qualitatively similarly estimated, based on experimental and numerical results. So that we demonstrated the usefulness of the FEM linear acoustic model in the planning of efficiency of nanoparticle-mediated moderate hyperthermia.
    Źródło:
    Bulletin of the Polish Academy of Sciences. Technical Sciences; 2021, 69, 3; e137053, 1--18
    0239-7528
    Pojawia się w:
    Bulletin of the Polish Academy of Sciences. Technical Sciences
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Ultrasonic specific absorption rate in nanoparticle-mediated moderate hyperthermia
    Autorzy:
    Gambin, Barbara
    Kruglenko, Eleonora
    Powiązania:
    https://bibliotekanauki.pl/articles/2173578.pdf
    Data publikacji:
    2021
    Wydawca:
    Polska Akademia Nauk. Czytelnia Czasopism PAN
    Tematy:
    ultrasonic hyperthermia
    agar-based tissue mimicking phantom
    magnetic nanoparticles
    temperature
    specific absorption rate
    SAR
    hipertermia ultradźwiękowa
    fantom imitujący tkankę na bazie agaru
    nanocząstki magnetyczne
    temperatura
    współczynnik absorpcji właściwej
    Opis:
    Magnetic nanoparticle’s different applications in nanomedicine, due to their unique physical properties and biocompatibility, were intensively investigated. Recently, Fe₃O₄ nanoparticles, are confirmed to be the best sonosensitizers to enhance the performance of HIFU (high intensity focused ultrasound). They are also used as thermo-sensitizers in magnetic hyperthermia. A new idea of dual, magneto-ultrasound, coupled hyperthermia allows the ultrasound intensity to be reduced from the high to a moderate level. Our goal is to evaluate the enhancement of thermal effects of focused ultrasound of moderate intensity due to the presence of nanoparticles. We combine experimental results with numerical analysis. Experiments are performed on tissue-mimicking materials made of the 5% agar gel and gel samples containing Fe₃O₄ nanoparticles with φ  = 100 nm with two fractions of 0.76 and 1.53% w/w. Thermocouples registered curves of temperature rising during heating by focused ultrasound transducer with acoustic powers of the range from 1 to 4 W. The theoretical model of ultrasound-thermal coupling is solved in COMSOL Multiphysics. We compared the changes between the specific absorption rates (SAR) coefficients determined from the experimental and numerical temperature rise curves depending on the nanoparticle fractions and applied acoustic powers.We confirmed that the significant role of nanoparticles in enhancing the thermal effect is qualitatively similarly estimated, based on experimental and numerical results. So that we demonstrated the usefulness of the FEM linear acoustic model in the planning of efficiency of nanoparticle-mediated moderate hyperthermia.
    Źródło:
    Bulletin of the Polish Academy of Sciences. Technical Sciences; 2021, 69, 3; art. no. e137053
    0239-7528
    Pojawia się w:
    Bulletin of the Polish Academy of Sciences. Technical Sciences
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-3 z 3

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