Journal
JOURNAL OF SUPERHARD MATERIALS
Volume 33, Issue 6, Pages 401-408Publisher
ALLERTON PRESS INC
DOI: 10.3103/S1063457612060056
Keywords
gamma-boron; alpha-boron; shear strength; Vickers hardness; first-principle calculations
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Funding
- National Natural Science Foundation of China [11174152, 50821001]
- 973 Program of China [2010CB731605, 2011CB808205]
- State Key Laboratory of Metastable Materials Science and Technology [201106]
- Postdoctoral Fund of China [20090460685]
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The effects of normal compression on the mechanical properties of boron phases have been investigated using the first principles. The results have shown that normal compression produces entirely different effects on gamma-boron and alpha-boron shear strengths. The three-center bonds connecting the B-2 dumbbell pair with the B-12 icosahedra in gamma-boron are greatly strengthened compared with the peculiar bonds in the alpha-boron, resulting in a 32% enhancement in gamma-boron shear strength. The current study provides an atomic understanding of the discrepancy between the theoretical and experimental indentation strength of gamma-boron.
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