Effects of Chemical Short Range Order on Percolation in Binary Alloys
arxiv(2024)
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 Monte Carlo
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 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 chemical heterogeneity of 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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