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Effect of chemical short-range order and percolation on passivation in binary alloys
被引:0
|作者:
Roy, Abhinav
[1
]
Sieradzki, Karl
[2
]
Rondinelli, James M.
[1
]
McCue, Ian D.
[1
]
机构:
[1] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA
[2] Arizona State Univ, Ira A Fulton Sch Engn, Tempe, AZ 85287 USA
基金:
美国国家科学基金会;
关键词:
FE-CR ALLOYS;
SOLID-SOLUTIONS;
MODEL;
THRESHOLDS;
VALIDATION;
EFFICIENCY;
FCC;
D O I:
10.1103/PhysRevB.110.085420
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
We develop a percolation model for face centered cubic binary alloys with chemical short-range order (SRO) to account for chemical ordering/clustering that occurs in nominally random solid solutions. We employ a lattice generation scheme that directly utilizes the first nearest neighbor Warren-Cowley SRO parameter to generate the lattice. We quantify the effects of SRO on the first nearest neighbor three-dimensional (3D) site percolation threshold using the large cell Monte Carlo renormalization group method and find that the 3D site percolation threshold is a function of the SRO parameter. We analyze the effects of SRO on the distribution of the total number of distinct clusters in the percolated structures and find that short-ranged clustering promotes the formation of a dominant spanning cluster. Furthermore, we find that the scaling exponents of percolation are independent of SRO. We also examine the effects of SRO on the 2D-3D percolation crossover and find that the thickness of the thin film for percolation crossover is a function of the SRO parameter. We combine these results to develop a percolation crossover model to understand the electrochemical passivation behavior in binary alloys. The percolation crossover model provides a theoretical framework to understand the critical composition of passivating elements for protective oxide formation. With this model, we show that SRO can be used as a processing parameter to improve corrosion resistance.
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页数:9
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