A study of the size-dependent elastic properties of silicon carbide nanotubes: First-principles calculations

2012 ◽  
Vol 376 (19) ◽  
pp. 1631-1635 ◽  
Author(s):  
Anghui Zhang ◽  
Xiao Gu ◽  
Feng Liu ◽  
Yiqun Xie ◽  
Xiang Ye ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Size Dependent ◽  
Silicon Carbide Nanotubes

scholarly journals First-principles study: size-dependent optical properties for semiconducting silicon carbide nanotubes

2007 ◽  
Vol 15 (17) ◽  
pp. 10947 ◽  
Author(s):  
S. P. Huang ◽  
D. S. Wu ◽  
J. M. Hu ◽  
H. Zhang ◽  
Z. Xie ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Optical Properties ◽  
First Principles ◽  
Size Dependent ◽  
First Principles Study ◽  
Silicon Carbide Nanotubes

New Pt-based Superalloy System Designed from First Principles

2008 ◽  
Vol 1128 ◽  
Author(s):  
Vsevolod I. Razumovskiy ◽  
Eyvaz I. Isaev ◽  
Andrei V. Ruban ◽  
Pavel A. Korzhavyi
Keyword(s):  
Elastic Properties ◽  
First Principles ◽  
Defect Formation ◽  
Alloy System ◽  
First Principles Calculations ◽  
Phonon Spectra ◽  
Ultrahigh Temperature ◽  
New Generation ◽  
Formation Energies ◽  
Temperature Applications

AbstractPt-Sc alloys with the γ-γ′ microstructure are proposed as a basis for a new generation of Pt-based superalloys for ultrahigh-temperature applications. This alloy system was identified on the basis of first-principles calculations. Here we discuss the prospects of the Pt-Sc alloy system on the basis of calculated elastic properties, phonon spectra, and defect formation energies.

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