Effect of chemical short-range order and percolation on passivation in binary alloys
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| Format: | Preprint |
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2024
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| _version_ | 1866914924659212288 |
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| author | Roy, Abhinav Sieradzki, Karl Rondinelli, James M. McCue, Ian D. |
| author_facet | Roy, Abhinav Sieradzki, Karl Rondinelli, James M. McCue, Ian D. |
| contents | 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2401_13954 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Effect of chemical short-range order and percolation on passivation in binary alloys Roy, Abhinav Sieradzki, Karl Rondinelli, James M. McCue, Ian D. Materials Science Statistical Mechanics 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. |
| title | Effect of chemical short-range order and percolation on passivation in binary alloys |
| topic | Materials Science Statistical Mechanics |
| url | https://arxiv.org/abs/2401.13954 |