Year: 2024
Type: article
Abstract: 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.
Institutions: Northwestern University, Arizona State University
Language: English
Subfield: Condensed Matter Physics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Awards: G1453181110, Track 4: Advanced CI Coordination Ecosystem: Monitoring and Measurement Services, G3406661761, G3562386289, Track 1: ACCESS Resource Allocations Marketplace and Platform Services (RAMPS), G4010157413, ACO: An Open CI Ecosystem to Advance Scientific Discovery (OpenCI), Track 3: COre National Ecosystem for CyberinfrasTructure (CONECT), G5212984984, G5367127336, G5464919783, G6121277264, Collaborative Research: Compositional and Atomic-Scale Ordering Effects on Aqueous Passivation of Binary BCC and FCC Alloys, G6965887028, G8174472116, Track 2: Customized Multi-tier Assistance, Training, and Computational Help (MATCH) for End User ACCESS to CI, Collaborative Research: Compositional and Atomic-Scale Ordering Effects on Aqueous Passivation of Binary BCC and FCC Alloys
OpenAlex ID: W4401981960