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Structural and Mechanical Properties of Ti1-XAlxN Studied by Ab Initio

✍ Scribed by Tan, Xin; Li, Yu Qing; Liu, Xue Jie; Xie, Yan Hui

Book ID
120383854
Publisher
Trans Tech Publications, Ltd.
Year
2011
Tongue
English
Weight
335 KB
Volume
383-390
Category
Article
ISSN
1662-8958

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The total energies and lattice constants of binary hcp-and fcc-TiN, AlN and ternary Ti 0.5 Al 0.5 N phases are calculated by ab initio method using the Vienna ab initio simulation package (VASP). The values of total energies are then used to calculate the lattice stabilities of binary hcp-and fcc-Ti