Mechanical properties and spinodal decomposition of TixAl1-x-yZryN coatings

Aijun Wang, Mingzhi He, Rui Zhang, Yong Du, Deliang Chen, Bingbing Fan, Shun Li Shang, Zi Kui Liu

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


Abstract A 64-atom special quasirandom structure (SQS) has been employed to model the A0.5B0.25C0.25D, i.e., the TixAl1 - x - yZryN with x=0.5 and y=0.25, coating alloys in rock salt structure. Elastic constants are calculated by an efficient stress-strain method. The presence of Zr in TixAl1 - x - yZryN weakens the directional (covalent) nature of the nearest bonds and decreases the hardness of coatings. Additionally, the increase of Zr content changes Zener's elastic anisotropy ratio (A) from (A>1) to (A<1), resulting in the alteration of spinodal decomposition from <100> to <111> direction.

Original languageEnglish (US)
Article number23297
Pages (from-to)2037-2040
Number of pages4
JournalPhysics Letters, Section A: General, Atomic and Solid State Physics
Issue number36
StatePublished - Jul 14 2015

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy


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