Thanomngam, Pitiporn

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Thanomngam, Pitiporn
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Thanomngam, P.
Thanomngam, Pittiporn
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pitiporn.th@kmitl.ac.th

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    Item type:Publication,
    First-principles investigation on elastic constants of TiN under high pressure
    (2013-10-29)
    Prasert, Kittiya
    ;
    Thanomngam, Pitiporn
    ;
    Sarasamak, Kanoknan
    Elastic constants of NaCl-type TiN under pressure were investigated by first-principles calculations within both local density approximation (LDA) and Perdew-Burke-Ernzerhof generalized-gradient approximation (PBE-GGA). At ambient pressure, the calculated lattice parameter, bulk modulus, and elastic constants of NaCl-type TiN are in well agreement with other available values. Under pressure, all elastic constants, C<inf>11</inf>, C<inf>12</inf>, and C<inf>44</inf>, are found to increase with pressure. C<inf>11</inf>, which is related to the longitudinal distortion, increases rapidly with pressure while C<inf>12</inf> and C<inf>44</inf> which are related to the transverse and shear distortion, respectively, are much less sensitive to pressure. © (2013) Trans Tech Publications, Switzerland.
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    Item type:Publication,
    Pressure Dependence of Structural and Elastic Properties of Na2O: First-Principles Calculations
    (2022-01-01)
    Phacheerak, Kanoknan
    ;
    Thanomngam, Pitiporn
    The effect of high pressures, up to 40 GPa, on the structural and elastic properties of sodium oxide in cubic structure (c-Na<inf>2</inf>O) were investigated by first-principles calculations. The generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) functional was employed in the calculations. The calculated structural and elastic properties at zero pressure are consistent with the available results. The pressure dependence of structural and elastic properties was presented and discussed in detail. Under pressure, the elastic constants satisfy the Born criteria, indicating that c-Na<inf>2</inf>O is mechanically stable. Moreover, other elastic properties such as bulk modulus (B), shear modulus (G), and Young's modulus (E) under pressures were analyzed. Furthermore, the B/G values tend to increase with the increasing pressure, which means that pressure can improve the ductility of c-Na<inf>2</inf>O.