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    Wyświetlanie 1-11 z 11
    Tytuł:
    Molecular Dynamics Simulation Studies of the CL-20/DNB Co-crystal
    Autorzy:
    Sun, T.
    Xiao, J. J.
    Ji, G. F.
    Zhao, F.
    Xiao, H. M.
    Powiązania:
    https://bibliotekanauki.pl/articles/358075.pdf
    Data publikacji:
    2016
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    CL-20/DNB co-crystal
    composite
    interactions
    mechanical properties
    molecular dynamics simulation
    Opis:
    Molecular dynamics (MD) simulation was conducted for a DNB (1,3-dinitrobenzene) crystal, a ε-CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) crystal, a CL-20/DNB co-crystal and a CL-20/DNB composite. From the calculated maximum bond length (Lmax) of the N−NO2 trigger bond, the cohesive energy density (CED) and the binding energy (Ebind), it was found that the CL-20/DNB co-crystal is more insensitive than its composite. Its thermal stability is also better than that of its composite. The pair correlation function (PCF) analysis method was applied to investigate the interfaces between different molecular layers in the CL-20/DNB co-crystal, and in the composite. Additionally, the calculated mechanical data showed that the moduli of the CL-20/DNB co-crystal and its composite are smaller and their elastic elongation and ductility are better than those of the ε-CL-20 and DNB crystals.
    Źródło:
    Central European Journal of Energetic Materials; 2016, 13, 3; 677-693
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    X-Ray and Electron-Optical Characterization of ZnSe(Co) Crystal with Natural Face
    Autorzy:
    Auleytner, J.
    Domagała, J.
    Gołacki, Z.
    Pawłowska, M.
    Pełka, J.
    Regiński, K.
    Powiązania:
    https://bibliotekanauki.pl/articles/1929340.pdf
    Data publikacji:
    1993-06
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    61.10.-i
    61.14.Hg
    61.16.Bg
    Opis:
    Using complementary X-ray and electron-optical methods, a ZnSe(Co) crystal with natural face was investigated. X-ray diffraction methods such as double-crystal X-ray reflection topography, double-crystal diffractometry for rocking curve measurements, precise lattice constant measurements by the Bond technique were used for crystal structure characterization and X-ray fluorescence method for studies of chemical composition along the crystal. The scanning electron microscopic image of the crystal surface and reflection diffraction of the high-energy electrons enriched the crystal structure characterization. It was shown that X-ray characterization and reflection high-energy electron diffraction can be regarded as very important complementary tools for non-destructive investigation of the ZnSe(Co) crystal surface layers.
    Źródło:
    Acta Physica Polonica A; 1993, 83, 6; 759-768
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Estimation of the Detonation Pressure of Co-crystal Explosives through a Novel, Simple and Reliable Model
    Autorzy:
    Zohari, Narges
    Montazeri, Mahnaz
    Hosseini, Seyed Ghorban
    Powiązania:
    https://bibliotekanauki.pl/articles/1062768.pdf
    Data publikacji:
    2020
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    energetic co-crystals
    detonation pressure
    QSPR approach
    MLR method
    Opis:
    The detonation properties of energetic co-crystals have a substantial role in the design of new co-crystals and it is necessary to know about them. In this study, a linear relationship is proposed between the detonation pressure of energetic co-crystals and their molecular structures via a quantitative structure property relationship (QSPR) method. This model assumes that the detonation pressure of an energetic co-crystal is a function of nN, Mw, nC/nH and nO/nH. The new model was obtained based on the calculated detonation pressures of 39 co-crystals as a training set. The R2 or determination coefficient of the acquired model was 0.9409. This novel correlation provided a proper assessment for a further 12 energetic co-crystals as a test set. Additionally, the root mean square and average absolute deviation of this newly presented correlation were found to be 2.249 and 1.716 GPa, respectively. As a consequence, the proposed correlation can also be utilized to design new energetic co-crystals.
    Źródło:
    Central European Journal of Energetic Materials; 2020, 17, 4; 492-505
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Three Insensitive Energetic Co-crystals of 1-Nitronaphthalene, with 2,4,6-Trinitrotoluene (TNT), 2,4,6-Trinitrophenol (Picric Acid) and D-Mannitol Hexanitrate (MHN)
    Autorzy:
    Hong, D.
    Li, Y.
    Zhu, S.
    Zhang, L.
    Pang, C.
    Powiązania:
    https://bibliotekanauki.pl/articles/1063066.pdf
    Data publikacji:
    2015
    Wydawca:
    Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
    Tematy:
    co-crystal
    insensitive energetic material
    crystal structure
    explosive properties
    Opis:
    Co-crystallization is proposed as an effective method to alter the physicochemical properties of energetic materials, e.g. density, sensitivity and solubility. As reported in this paper, it was found that 1-nitronaphthalene could form cocrystals with TNT, picric acid and MHN in a 1:1 molecular ratio. The sensitivity and thermal stability of the 1-nitronaphthalene co-crystals was greatly improved compared with that of pure TNT, picric acid and MHN. In addition, the melting points of TNT, picric acid and MHN were lowered through co-crystallization with 1-nitronaphthalene. The electrostatic potential surface of 1-nitronaphthalene, calculated by the DFT method, showed that the electron-rich 1-nitronaphthalene has a tendency to be a proton donor and to co-crystallize with other energetic materials. The structures of the co-crystals of 1-nitronaphthalene with TNT and picric acid were characterized by single crystal X-ray diffraction (SXRD). The 1-nitronaphthalene/MHN co-crystal was studied by powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC) and FTIR.
    Źródło:
    Central European Journal of Energetic Materials; 2015, 12, 1; 47-62
    1733-7178
    Pojawia się w:
    Central European Journal of Energetic Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Influence of Co Doping on Crystal and Magnetic Properties of $Gd_2Cu_2In$
    Autorzy:
    Gondek, Ł.
    Szytuła, A.
    Kaczorowski, D.
    Szewczyk, A.
    Gutowska, M.
    Tyvanchuk, Yu.
    Kalychak, Ya.
    Powiązania:
    https://bibliotekanauki.pl/articles/1419907.pdf
    Data publikacji:
    2012-07
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    75.30.-m
    75.30.Kz
    75.50.Ee
    Opis:
    Physical properties of $Gd_2Cu_{2 - x}Co_{x}In$ (x = 0.1, 0.2, 0.3) samples are investigated. The paper brings results of X-ray diffraction, magnetometric as well as specific heat studies. It was found that only sample with x = 0.1 exhibits desired crystal structure. Other compositions show existence of impurities due to lack of dissolution Co atoms. For $Gd_2Cu_{1.9}Co_{0.1}In$ sample the Curie temperature of 92.5 K was evidenced. Thus, an enhancement of ferromagnetic correlations with comparison to $Gd_2Cu_2In$ sample was evidenced. It was found that $Gd_2Cu_{1.9}Co_{0.1}In$ sample exhibits magnetocaloric effect within broad temperature range.
    Źródło:
    Acta Physica Polonica A; 2012, 122, 1; 216-219
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Low-Frequency Raman Spectrum οf Bulk $Zn_{0.984}Co_{0.016}O$ Crystal
    Autorzy:
    Szuszkiewicz, W.
    Łusakowski, A.
    Morhange, J.
    Gołacki, Z.
    Arciszewska, M.
    Brodowska, B.
    Kanehisa, M.
    Klepka, M.
    Dobrowolski, W.
    Powiązania:
    https://bibliotekanauki.pl/articles/1807848.pdf
    Data publikacji:
    2009-07
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    75.50.Pp
    78.30.Fs
    Opis:
    The influence of possible presence of $Co^{2+}$ ion pairs in a bulk $Zn_{1-x}Co_{x}O$ mixed crystal on the low-frequency part of the Raman spectrum is discussed. Two effects can be taken into account in the theoretical considerations when analyzing the energy level scheme corresponding to Co ions. The first is a local lattice deformation in the vicinity of $Co^{2+}$ ion due to a presence of the second ion, smaller than the host ZnO lattice cation. Such deformation creates a trigonal field, which can only slightly modify the energy levels of $Co^{2+}$ ion. The second effect, which results from an antiferromagnetic superexchange interaction between two $Co^{2+}$ ions is responsible for a new set of energy levels. The Raman data taken at low temperature on the sample corresponding to the composition x = 0.016 demonstrated the presence of two structures at about 6 $cm^{-1}$ and 13 $cm^{-1}$. These structures may be interpreted as electronic transitions between the ground state and the first excited state of a single $Co^{2+}$ ion in the substitution site of ZnO lattice and as a similar transition for $Co^{2+}$ ion pair, respectively.
    Źródło:
    Acta Physica Polonica A; 2009, 116, 1; 103-106
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Spin Hamiltonian parameters for Co²⁺ ions in PbMoO₄ crystal - interplay between the fictitious spin S=1/2 and the effective spin S̃ =3/2
    Autorzy:
    Piwowarska, D.
    Kaczmarek, S.
    Gnutek, P.
    Rudowicz, C.
    Powiązania:
    https://bibliotekanauki.pl/articles/1055009.pdf
    Data publikacji:
    2017-07
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    75.10.Dg
    71.70.Ch
    61.50.Ah
    61.72.Hh
    76.30.-v
    76.30.Fc
    Opis:
    The interplay between the fictitious spin S' = 1/2 and the effective spin S̃=3/2 for Co²⁺(3d⁷) ions is considered. The available experimental data on the Ze g_{i}' factors for the two Co²⁺ complexes in PbMoO₄ obtained using the fictitious "spin" S'=1/2 description serve for determination of the Zeeman g_{i} factors corresponding to the effective spin S̃ =3/2. The second-rank zero-field splitting parameters D and E (S̃ = 3/2) are also indirectly determined from the experimental EMR data by employing the formulas arising from projection of the g_{i}(S̃=3/2) factors onto the g_{i}'(S' = 1/2) factors. The so-determined second-rank zero-field splitting parameters and g_{i}(S̃ = 3/2) factors will enable comparison with the respective quantities obtained in a subsequent paper using a combined modeling approach.
    Źródło:
    Acta Physica Polonica A; 2017, 132, 1; 73-76
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Highly Compensated GaAs Crystal Obtained by Molecular CO Doping
    Autorzy:
    Bożek, R.
    Korona, K. P.
    Nowak, G.
    Wasik, D.
    Słupiński, T.
    Kaczor, P.
    Powiązania:
    https://bibliotekanauki.pl/articles/1929707.pdf
    Data publikacji:
    1993-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.55.-i
    78.55.-m
    78.20.Jq
    Opis:
    GaAs:C crystal was grown by liquid encapsulated Czochralski technique with large partial pressure of CO in ambient atmosphere p$\text{}_{CO}$/p$\text{}_{tot}$ = 0.2 and investigated using near and infrared absorption, photoluminescence, photoconductivity, photo-induced current transient spectroscopy and photo-Hall measurements. High resistivity of the crystal was found in electrical measurements (10$\text{}^{7}$ Ω cm, the Fermi level at 0.67 eV below conduction band at 300 K). Local vibrational mode revealed increased concentration of carbon acceptor and presence of oxygen related complexes. Photoluminescence spectra were dominated by two bands with peak energies at 1.49 eV and 0.8 eV. The near band gap emission shifts with excitation intensity up to 4 meV/decade. In photocurrent spectrum a strong photoionization band with E = 0.55 eV is observed.
    Źródło:
    Acta Physica Polonica A; 1993, 84, 4; 669-672
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Comparative Study between Energy Levels of $Cr^{3+}$ and $Co^{2+}$ Ions Doped in $MgF_{2}$ Crystal
    Autorzy:
    Nistora, R.
    Andreici, L.
    Avram, N.
    Powiązania:
    https://bibliotekanauki.pl/articles/1791222.pdf
    Data publikacji:
    2009-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.70.Ch
    42.70.Hj
    61.72.S-
    Opis:
    The aim of this paper is to present a comparison of the energy level schemes of $Cr^{3+}$ ($3d^{3}$ electrons) and $Co^{2+}$ ($3d^{7}$ electrons), each of ions doped, separately, in $MgF_{2}$ crystal. We report on the detailed and consistent crystal field analysis of $Cr^{3+}$ spectra in $MgF_{2}$ crystal and compare with results, previously obtained, for $Co^{2+}$, doped in same host matrix. The results are based on application of the exchange charge model of crystal field to the calculation of crystal field parameters and energy levels of both ions doped in $MgF_{2}$.The calculations have been performed on previously optimized geometry of $MgF_{2}$ crystal. The obtained results are compared with experimental data and discussed.
    Źródło:
    Acta Physica Polonica A; 2009, 116, 4; 538-540
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Structural and Mössbauer effect studies of Dy(Fe0.4Co0.6-x Alx)2 intermetallics
    Autorzy:
    Stoch, P.
    Pszczoła, J.
    Suwalski, J.
    Pańta, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/148809.pdf
    Data publikacji:
    2003
    Wydawca:
    Instytut Chemii i Techniki Jądrowej
    Tematy:
    crystal structure
    hyperfine interactions
    Mössbauer spectroscopy
    rare earth
    Slater-Pauling curve
    transition
    Opis:
    The magnetic hyperfine fields observed at the 57Fe nuclei (77 K) in the Dy(Mn1-xFex)2 and Dy(Fe1-xCox)2 intermetallics form a Slater-Pauling curve. In order to study the effect of cobalt atoms on crystal structure and hyperfine interactions, the new Co/Al substituted series Dy(Fe0.4Co0.6-xAlx)2 was prepared and data of X-ray powder analysis are presented (300 K). From the 57Fe Mössbauer measurements at 77 K the hyperfine parameters were obtained. The magnetic hyperfine fields form a branch of the Slater-Pauling curve.
    Źródło:
    Nukleonika; 2003, 48,suppl.1; 75-77
    0029-5922
    1508-5791
    Pojawia się w:
    Nukleonika
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Study on Crystal Structure and Magnetic Properties of Ba4Co2Fe36O60 by Sol-Gel Method
    Autorzy:
    Jeong, K.-P.
    Yang, S.-W.
    Kim, J.-G.
    Powiązania:
    https://bibliotekanauki.pl/articles/351655.pdf
    Data publikacji:
    2018
    Wydawca:
    Polska Akademia Nauk. Czytelnia Czasopism PAN
    Tematy:
    U-type ferrite
    sol-gel method
    nano-powder
    Opis:
    U-type ferrite typified by Ba4Co2Fe36O60 is used as a RAM (Radar Absorbing Materials) in the X-band (8-12 GHz). Ba4Co2Fe36O60 is known to have a complex crystal structure, which makes it difficult to obtain single phase and have low reproducibility. Previously known U-type ferrites have been fabricated based on a ceramic process that mixing (by a ball mill), calcining, grinding, binder mixing, drying, sieving, pressing and sintering. In contrast, the process of preparing the powder by the sol-gel method and its heat-treating is advantageous in that it can reduce the process steps and the required time. In addition, the precise stoichiometric control by the sol-gel method can effectively evaluate the effect of added or substituted elements. In this study investigates the crystal structure of Ba4Co2Fe36O60 synthesized by the sol-gel method and the morphology of U-type ferrite nano-powders according to various heat treatment conditions. Analysis of the crystal structure is used for XRD. Morphology and size are observed by SEM. In addition, VSM is performed to confirm the change of magnetic properties according to various heat treatment conditions.
    Źródło:
    Archives of Metallurgy and Materials; 2018, 63, 3; 1449-1452
    1733-3490
    Pojawia się w:
    Archives of Metallurgy and Materials
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-11 z 11

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