Mechanical Properties of Ti1-x-yAlxSiyN Nanocomposite Studied by Ab Initio
2012 ◽
Vol 155-156
◽
pp. 926-930
Keyword(s):
Using first principles calculations based on the density functional theory, we have studied the structural and mechanical properties of Ti1-xAlxN and Ti1-x-yAlxSiyN metastable phase. Focus on the calculation of the Ti1-x-yAlxSiyN the cohesive energy, mechanical constants, elastic modulus and shear modulus. These calculated values were analyzed, then we obtained that Ti1-xAlxN lattice parameter decreased after adding Si, while the cohesive energy was rising, the mechanical properties decreased, indicating that in the case of the Al content determined, the structure of Ti1-x-yAlxSiyN is more stable than Ti1-xAlxN, but the mechanical performance ,stiffness and brittleness are reduced.
2010 ◽
Vol 139-141
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pp. 22-25
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2011 ◽
Vol 383-390
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pp. 3331-3337
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2020 ◽
Vol 31
(12)
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pp. 2050178
2013 ◽
Vol 373-375
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pp. 1965-1969
2007 ◽
Vol 21
(05)
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pp. 249-259
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2019 ◽
Vol 33
(21)
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pp. 1950234
2015 ◽
Vol 29
(13)
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pp. 1550087