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Grain boundaries

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Mesoscale Modeling And Machine Learning Studies Of Grain Boundary Segregation In Metallic Alloys, Malek Alkayyali May 2023

Mesoscale Modeling And Machine Learning Studies Of Grain Boundary Segregation In Metallic Alloys, Malek Alkayyali

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Nearly all structural and functional materials are polycrystalline alloys; they are composed of differently oriented crystalline grains that are joined at internal interfaces termed grain boundaries (GBs). It is well accepted that GB dynamics play a critical role in many phenomena during materials processing or under operating environments. Of particular interest are GB migration and grain growth processes, as they influence many crystal-size dependent properties, such as mechanical strength and electrical conductivity.

In metallic alloys, GBs offer a plethora of preferential atomic sites for alloying elements to occupy. Indeed, recent experimental studies employing in-situ microscopy revealed strong GB solute segregation …