The equation of state and the thermodynamic properties of the substitutional solid solution Si0.5Ge0.5 are calculated in the framework of the " medium atom" model. The changes in the equation of state and the thermodynamic properties upon the transition from a macrocrystal to a nanocrystal of 222 atoms with the geometric Gibbs surface are calculated using the RP-model of nanocrystal. The calculations have been performed along isotherms T = 100, 300, and 1000 K in the pressure range -1< P < 7 GPa. The changes in the properties is studied at the isochoric and also isobaric (P = 0) decrease of the number of atoms in the nanocrystal. It is shown that, at the isobaric (P = 0) decrease in the size, the specific volume of the Si-0.5-Ge-0.5 nanocrystal increases the more significantly, the higher the nanocrystal temperature.
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Natl Inst Adv Ind Sci & Technol, Mat Res Inst Sustainable Dev, Nagoya, Aichi 4638560, Japan
Nanjing Univ Sci & Technol, Dept Mat Sci & Engn, Nanjing 210094, Peoples R ChinaNatl Inst Adv Ind Sci & Technol, Mat Res Inst Sustainable Dev, Nagoya, Aichi 4638560, Japan
Du, Y. L.
Sun, Z. M.
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Natl Inst Adv Ind Sci & Technol, Mat Res Inst Sustainable Dev, Nagoya, Aichi 4638560, JapanNatl Inst Adv Ind Sci & Technol, Mat Res Inst Sustainable Dev, Nagoya, Aichi 4638560, Japan
Sun, Z. M.
Hashimoto, H.
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Natl Inst Adv Ind Sci & Technol, Mat Res Inst Sustainable Dev, Nagoya, Aichi 4638560, JapanNatl Inst Adv Ind Sci & Technol, Mat Res Inst Sustainable Dev, Nagoya, Aichi 4638560, Japan
Hashimoto, H.
Barsoum, M. W.
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Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USANatl Inst Adv Ind Sci & Technol, Mat Res Inst Sustainable Dev, Nagoya, Aichi 4638560, Japan
机构:
Univ Pau & Pays Adour, Equipe Chim Phys, IPREM UMR5254, F-64000 Pau, France
Menia Univ, Dept Chem, Fac Sci, Al Minya 61519, EgyptUniv Pau & Pays Adour, Equipe Chim Phys, IPREM UMR5254, F-64000 Pau, France
El-Kelany, Kh E.
Erba, A.
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Univ Turin, Dipartimento Chim, IT-10125 Turin, Italy
Univ Turin, Ctr Excellence NIS Nanostruct Interfaces & Surfac, IT-10125 Turin, ItalyUniv Pau & Pays Adour, Equipe Chim Phys, IPREM UMR5254, F-64000 Pau, France
Erba, A.
Carbonniere, P.
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Univ Pau & Pays Adour, Equipe Chim Phys, IPREM UMR5254, F-64000 Pau, FranceUniv Pau & Pays Adour, Equipe Chim Phys, IPREM UMR5254, F-64000 Pau, France
Carbonniere, P.
Rerat, M.
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Univ Pau & Pays Adour, Equipe Chim Phys, IPREM UMR5254, F-64000 Pau, FranceUniv Pau & Pays Adour, Equipe Chim Phys, IPREM UMR5254, F-64000 Pau, France