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- W3133528184 abstract "From the Bronze Age to the Iron Age to the modern era, alloys have been closely tied to human civilization. Alloy design is still one of the most active fields of materials research to respond to the ever-changing needs of the modern global society. At the heart of designing new alloys, is the knowledge of phase equilibria and the underlying thermodynamics. Most of the modern alloys have more than two or three components, but the phase diagrams for multicomponent systems either do not exist or are partially explored. Here, we discuss how a computational approach can help fill this knowledge gap. We present a review of our Monte-Carlo-based method which allows, for the first time, the direct simulation of coexisting phases in many-component crystalline systems. It is universally applicable across materials classes and enables a wide range of applications." @default.
- W3133528184 created "2021-03-15" @default.
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- W3133528184 date "2021-06-01" @default.
- W3133528184 modified "2023-10-14" @default.
- W3133528184 title "Alloy thermodynamics via the Multi-cell Monte Carlo (MC)2 method" @default.
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- W3133528184 doi "https://doi.org/10.1016/j.commatsci.2021.110322" @default.
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