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    Wyświetlanie 1-6 z 6
    Tytuł:
    Structural Study of Transition Metal Carbides
    Autorzy:
    Bhardwaj, P.
    Powiązania:
    https://bibliotekanauki.pl/articles/1419783.pdf
    Data publikacji:
    2012-07
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    62.20.de
    62.20.dq
    62.50.-p
    Opis:
    In this research paper we have discovered the structural phase transition and elastic properties of transition metal carbides (TaC and HfC). Phase transition pressures are associated with a sudden collapse in volume showing the incidence of first order phase transition. At ambient condition the present compounds exhibit rock salt (NaCl) structure, they transform into cesium chloride (CsCl) structure under high pressure. The phase transition pressures and associated volume collapses obtained from present potential model show a generally good agreement with the available literature. The elastic constants and bulk modulus are also reported for the present compounds.
    Źródło:
    Acta Physica Polonica A; 2012, 122, 1; 138-141
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    The Pressure Induced B1-B2 Phase Transition of CdO
    Autorzy:
    Bhardwaj, P.
    Powiązania:
    https://bibliotekanauki.pl/articles/1399274.pdf
    Data publikacji:
    2013-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    62.20.de
    62.20.dq
    62.50.-p
    Opis:
    In this paper, the structural, elastic and thermodynamic properties of CdO under different pressure range have been reported. An extended interaction potential model (including the zero point energy effect) has been used for this study. Phase transition pressures are associated with a sudden collapse in volume. At compressed volume, the present oxide is found in cesium chloride (CsCl) phase. The calculated second order elastic constants and their various combinations have been reported in different pressure range. The calculated values have been compared with available results. Our values have been found in good agreement with existing findings.
    Źródło:
    Acta Physica Polonica A; 2013, 124, 4; 677-684
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    A New Potential Superhard Phase of $OsN_2$
    Autorzy:
    Fan, Q.
    Wei, Q.
    Yan, H.
    Zhang, M.
    Zhang, D.
    Zhang, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/1205218.pdf
    Data publikacji:
    2014-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    62.20.de
    65.40.-b
    62.20.dq
    Opis:
    A new phase of C2/m $OsN_2$ is proposed in this paper. The crystal structure, elasticity and electronic properties of C2/m $OsN_2$ were studied by first-principles calculations. The elastic constants, the elastic moduli (B, G, and E) and Poisson's ratio v of $OsN_2$ have been investigated. From the first-principles calculations, we find that C2/m $OsN_2$ is metallic and mechanically stable. The quasi-harmonic Debye model, using a set of total energy versus molar volume obtained from the first-principles calculations, is applied to the study of the thermal and vibrational effects. The dependence of structural parameters, thermal expansions, heat capacities, Grüneisen parameters and Debye temperatures on the temperature and pressure are obtained in the whole pressure range from 0 to 80 GPa and temperature range from 0 to 800 K as well as compared with available data.
    Źródło:
    Acta Physica Polonica A; 2014, 126, 3; 740-746
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    First-principles calculations on phase transition and elastic properties of CoN
    Autorzy:
    De-Chun, He
    Yong, Peng
    Su-Yuan, Li
    Yong-Lin, He
    Powiązania:
    https://bibliotekanauki.pl/articles/1075580.pdf
    Data publikacji:
    2016-09
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    62.20.-x
    62.20.de
    62.50.-p
    62.20.dq
    Opis:
    The structural phase transition and elastic properties of CoN are investigated by ab initio plane-wave pseudopotential density function theory method. The equilibrium lattice parameters a₀, elastic constants C_{ij}, bulk modulus B₀ and its derivative B'₀ are calculated. From the usual condition of equal enthalpy, the phase transition of CoN from zinc-blende to rocksalt structure occurs at 35.4 GPa with a volume collapse of about 15.6%, consistent with the calculated result 36 GPa (FP-LDA), but an uncertainty is about 4.4 GPa compared with the 31 GPa (ASA-GGA). All three independent elastic constants, C₁₁, C₁₂, and C₄₄ for CoN are calculated from direct computation of stresses generated by small strains. Both C₁₂ and C₄₄ are less sensitive to pressure as compared with C₁₁. The calculated conclusions offer theoretical data for the further research of the mechanical properties for CoN.
    Źródło:
    Acta Physica Polonica A; 2016, 130, 3; 743-747
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Structural Stability of Amorphous Alloy of Modified Finemet Type
    Autorzy:
    Huráková, M.
    Csach, K.
    Juríková, A.
    Miškuf, J.
    Rajňák, M.
    Ďurišin, M.
    Kvačkaj, T.
    Powiązania:
    https://bibliotekanauki.pl/articles/1387067.pdf
    Data publikacji:
    2015-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    61.43.Dq
    62.20.Hg
    62.20.de
    Opis:
    The Finemet type amorphous alloys are well known as high frequency soft magnetic materials. They have good soft magnetic properties which are characterized by low coercive force and high permeability because of the lack of crystalline anisotropy. The structural stability of the amorphous ribbon of Finemet type modified by Mn, Al and Cr prepared by melt-spinning process was studied using differential scanning calorimetry and dynamical mechanical analysis. With increase of the crystalline portion in the sample, the Curie transition is shifted to the higher temperatures. The magnetic relaxation processes at frequencies above 10⁴ Hz were detected by mass magnetic susceptibility measurement.
    Źródło:
    Acta Physica Polonica A; 2015, 127, 2; 564-566
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Poisson Ratio and Biaxial Relaxation Coefficient in $In_{x}Ga_{1-x}N$ and $In_{x}Al_{1-x}N$ Alloys
    Autorzy:
    Łepkowski, S.
    Gorczyca, I.
    Powiązania:
    https://bibliotekanauki.pl/articles/1492915.pdf
    Data publikacji:
    2011-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    62.20.de
    61.43.Dq
    81.40.Jj
    Opis:
    We present theoretical results showing dependence of Poisson ratio and biaxial relaxation coefficient on composition and atomic arrangement in wurtzite $In_{x}Ga_{1-x}N$ and $In_{x}Al_{1-x}N$ alloys. Our calculations reveal that the Poisson ratio determined for $In_{x}Ga_{1-x}N$ and $In_{x}Al_{1-x}N$ alloys subjected to a uniaxial stress parallel to the c axis of the wurtzite structure shows significant superlinear dependence on composition. The superlinear bowing in Poisson ratio is enlarged by the effect of In clustering. The biaxial relaxation coefficient determined for $In_{x}Ga_{1-x}N$ and $In_{x}Al_{1-x}N$ alloys subjected to a biaxial stress in the plane perpendicular to the c axis of the wurtzite structure changes superlinearly and linearly with x in $In_{x}Ga_{1-x}N$ and $In_{x}Al_{1-x}N$, respectively. The effect of In atom clustering results in sublinear dependence of the biaxial relaxation coefficient in both $In_{x}Ga_{1-x}N$ and $In_{x}Al_{1-x}N$ alloys.
    Źródło:
    Acta Physica Polonica A; 2011, 120, 5; 902-904
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-6 z 6

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