Density Functional Calculations for Disordered Boron Carbide Crystals
- Авторлар: Konovalikhin S.1, Kovalev D.1, Guda S.2
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Мекемелер:
- Institute of Structural Macrokinetics and Materials Science, Russian Academy of Sciences
- Southern Federal University
- Шығарылым: Том 92, № 11 (2018)
- Беттер: 2341-2344
- Бөлім: Short Communications
- URL: https://journals.rcsi.science/0036-0244/article/view/170226
- DOI: https://doi.org/10.1134/S0036024418110183
- ID: 170226
Дәйексөз келтіру
Аннотация
Density functional calculations are performed for boron carbide of the same composition but with different locations of the carbon incorporated into the structure. It is shown that such crystals differ in their unit cell parameters. The data hypothesis confirm that the discrepancy between the unit cell parameters of boron carbide of the same composition is due to the different places where carbon atoms are incorporated into the structure.
Негізгі сөздер
Авторлар туралы
S. Konovalikhin
Institute of Structural Macrokinetics and Materials Science, Russian Academy of Sciences
Хат алмасуға жауапты Автор.
Email: ksv17@ism.ac.ru
Ресей, Chernogolovka, Moscow oblast, 142432
D. Kovalev
Institute of Structural Macrokinetics and Materials Science, Russian Academy of Sciences
Email: gudasergey@gmail.com
Ресей, Chernogolovka, Moscow oblast, 142432
S. Guda
Southern Federal University
Хат алмасуға жауапты Автор.
Email: gudasergey@gmail.com
Ресей, Rostov-on-Don, 344006