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 Computational Study of Oxynitride Based Strong Materials
Наименование:

Computational Study of Oxynitride Based Strong Materials

автор Onyekwelu O. издательство Книга по Требованию Механика. Динамика
Cтраниц 156        мягкая обложка       
Аннотация:Using a series of Tersoff empirical potentials, the different thermodynamic properties of these oxynitride structure for varying temperature are also predicted such as the Debye temperature, thermal expansion co-efficient and specific heat. A spinel oxynitride material in the form M3NO3 (M = B, Al, Ga, or In) is considered to be derived from a reaction of the form MN + M2O3 ---- M3NO3. Various possible phases of MN and M2O3 that could lead to M3NO3 oxynitride spinel material have been considered in the work. Molecular dynamics simulations of bulk oxynitride spinel systems are also considered. The structural, electronic, elastic properties and the relative stabilities of the bulk and the nature of the resulting vacancies or defect-related properties of these oxynitride spinel structures are investigated using ab-initio or first principles electronic structure methods based on density functional theory (DFT).
Автор: Onyekwelu O.
Издательство: Книга по Требованию
Год:2010
Цена:
2415 руб
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Поиск: Computational Study of Oxynitride Based Strong Materials
НОВЫЙ ГОД СИМВОЛ 2013 ГОДАУКРАШЕНИЯ
КАРНАВАЛ НА НОВЫЙ ГОД РАСПРОДАЖА
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