TY - JOUR
T1 - Mechanical properties and spinodal decomposition of TixAl1-x-yZryN coatings
AU - Wang, Aijun
AU - He, Mingzhi
AU - Zhang, Rui
AU - Du, Yong
AU - Chen, Deliang
AU - Fan, Bingbing
AU - Shang, Shun Li
AU - Liu, Zi Kui
N1 - Funding Information:
The authors acknowledge the support of Creative Research Group of the National Natural Science Foundation of China with Grant No. 50721003 , the National Natural Science Foundation of China (NSFC) with Grant No. 51175513 , the National Natural Science Foundation of China ( 51172211 ), China Postdoctoral Science Foundation ( 2013M531682 , 2014T70682 ), Special Support Program for High-End Talents of Zhengzhou University ( ZDGD13001 ). Z.K.L. and S.L.S. acknowledge the support from the NSFC with Grant No. 51429101 and United States National Science Foundation under Grant No. CMMI-1333999 .
Publisher Copyright:
© 2015 Elsevier B.V.
PY - 2015/7/14
Y1 - 2015/7/14
N2 - 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.
AB - 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.
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U2 - 10.1016/j.physleta.2015.06.047
DO - 10.1016/j.physleta.2015.06.047
M3 - Article
AN - SCOPUS:84937642839
SN - 0375-9601
VL - 379
SP - 2037
EP - 2040
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 36
M1 - 23297
ER -