The equilibration process in MD simulations is crucial for ensuring that the system reached a stable state before any meaningful analysis can be conducted. During equilibration, the initial ...

Solid-phase sintering method was used to dope Nd and Sm ions at the Y sites of Y₂MgTiO₆ ceramics, forming a solid solution and significantly increasing the Q×f value. The analysis of chemical bonds ...

Glass-ceramics are composed of precipitated crystals and a glass matrix and are utilized in many industrial products, such as high-temperature furnace windows, cooktop panels, artificial teeth, and ...

This review paper published in AI & Materials explores the implementation of first-principles calculation method within high-entropy carbides ceramics (HECCs) research, specifically examining its role ...