Quantitative determination of anti-structured defects applied to alloys of a wide chemical range

doi:10.1088/1674-1056/25/11/116102

Abstract Anti-structured defects bridge atom migration among heterogeneous sublattices facilitating diffusion but could also result in the collapse of ordered structure. Component distribution Ni₇₅ Al_xV_25-x alloys are investigated using a microscopic phase field model to illuminate relations between anti-structured defects and composition, precipitate order, precipitate type, and phase stability. The Ni₇₅ Al_xV_25-x alloys undergo single Ni₃ V (stage I), dual Ni₃ Al and Ni₃ V (stage Ⅱ with Ni₃ V prior; and stage Ⅲ with Ni₃ Al prior), and single Ni₃ Al (stage IV) with enhanced aluminum level. For Ni₃ V phase, anti-structured defects (V_Ni1, Ni_V, except V_Ni2) and substitution defects (Al_Ni1, Al_Ni2, Al_V) exhibit a positive correlation to aluminum in stage I, the positive trend becomes to negative correlation or smooth during stage Ⅱ. For Ni₃ Al phase, anti-structured defects (Al_Ni, Ni_Al) and substitution defects (V_Ni, V_Al) have a positive correlation to aluminum in stage Ⅱ, but Ni_Al goes down since stage Ⅲ and lasts to stage IV. V_Ni and V_Al fluctuate when Ni₃ Al precipitates prior, but go down drastically in stage IV. Precipitate type conversion of single Ni₃ V/dual (Ni₃ V+Ni₃ Al) affects Ni₃ V defects, while dual (Ni₃ V+Ni₃ Al)/single Ni₃ Al has little effect on Ni₃ Al defects. Precipitate order swap occurred in the dual phase region affects on Ni₃ Al defects but not on Ni₃ V.

Keywords: microscopic phase field anti-structured defects substitution defect atom occupancy

Received: 15 June 2016
Revised: 10 July 2016
Accepted manuscript online:

PACS:	61.72.J-	(Point defects and defect clusters)
	61.50.Ah	(Theory of crystal structure, crystal symmetry; calculations and modeling)
	81.30.Mh	(Solid-phase precipitation)
	71.15.Pd	(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)

Fund: Project supported by the Natural Science Basic Research Plan in Shaanxi Province of China (Grant No. 2016JQ5014), the Fundamental Research Funds for the Central Universities, China (Grant No. 3102014JCQ01024), the Research Fund of the State Key Laboratory of Solidification Processing (NWPU), China (Grant No. 114-QP-2014), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20136102120021), and the National Natural Science Foundation of China (Grant Nos. 51474716 and 51475378).

Corresponding Authors: Jing Zhang
E-mail: Jingzhang@nwpu.edu.cn

Cite this article:

Jing Zhang(张静), Zheng Chen(陈铮), Yongxin Wang(王永欣), Yanli Lu(卢艳丽) Quantitative determination of anti-structured defects applied to alloys of a wide chemical range 2016 Chin. Phys. B 25 116102

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Quantitative determination of anti-structured defects applied to alloys of a wide chemical range

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