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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