Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2010

Идентификатор DOI: 10.1166/jnn.2010.2424

Ключевые слова: Silicon Carbide, Nanowires, Elastic Properties, DFT, Molecular Mechanics, Atomic structure, Cubic phasis, Effective size, SiC nanowire, Silicon carbide nanowires, Theoretical study, Wire geometries, Young's Modulus, Crystal atomic structure, Density functional theory, Elastic moduli, Elasticity, Wire

Аннотация: The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular mechanics. Upon surface relaxation, surface reconstruction led to the splitting of the wire geometry, forming both hexagonal (surface) and cubic phases (bulk). The behavior of the pristine SiC wires under compression and stretching was studied and Young's moduli were obtained. For Y-shaped SiC nanowires the effective Young's moduli and behavior in inelastic regime were elucidated.

Журнал: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Выпуск журнала: Vol. 10, Is. 8

Номера страниц: 4992-4997

ISSN журнала: 15334880

Место издания: VALENCIA

Издатель: AMER SCIENTIFIC PUBLISHERS

• Sorokin P.B. (Kirensky Institute of Physics,Russian Academy of Sciences)
• Kvashnin D.G. (Siberian Federal University)
• Kvashnin A.G. (Siberian Federal University)
• Avramov P.V. (Kirensky Institute of Physics,Russian Academy of Sciences)
• Chernozatonskii L.A. (Emanuel Institute of Biochemical Physics,Russian Academy of Sciences)

• Web of Science Core Collection
• Scopus
• Ядро РИНЦ (eLIBRARY.RU)