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- W2016226119 abstract "The equilibrium lattice constants, elastic constants and elastic moduli of wII- and post-spinel Si3N4 have been investigated in the pressure ranges of 0–40 GPa and 160–240 GPa, respectively. These two phases are found to be dynamically stable. The post-spinel phase is one of the strongest materials yet investigated under extreme compressions. Some fundamental properties and phase transition characters are evaluated from the quasi-harmonic approximation. The transition pressures from the γ phase to the post-spinel phase are 152.5 GPa (at 300 K) and 181.8 GPa (at 1500 K). The phase transition pressures of the β→wII and γ→post-spinel transitions increase with the rise of temperature; hence, at higher temperature it requires higher pressure to synthesize post-spinel Si3N4. The heat capacity, thermal expansion and bulk modulus of the new phases are computed as functions of pressure and temperature. The heat capacity of post-spinel Si3N4 is large at high temperature and only weakly pressure dependent." @default.
- W2016226119 created "2016-06-24" @default.
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- W2016226119 date "2013-03-27" @default.
- W2016226119 modified "2023-10-14" @default.
- W2016226119 title "Phase transition characters and thermodynamics modeling of the newly-discovered wII- and post-spinel Si3N4 polymorphs: A first-principles investigation" @default.
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- W2016226119 doi "https://doi.org/10.1007/s40195-012-0133-1" @default.
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