Hardness can be defined microscopically as the combined resistance of chemical bonds in
a material to indentation. The current review presents three most popular microscopic …

Herein, we critically evaluate computational and experimental studies in the emerging field
of high-entropy ultra-high-temperature ceramics. High-entropy ultra-high-temperature …

High-entropy materials have attracted considerable interest due to the combination of useful
properties and promising applications. Predicting their formation remains the major …

This study has explored numerous physical properties of CaPd 3 Ti 4 O 12 (CPTO) and
CaPd 3 V 4 O 12 (CPVO) quadruple perovskites employing the density functional theory …

We propose a methodology for crystal structure prediction that is based on the evolutionary
algorithm USPEX and the machine-learning interatomic potentials actively learning on-the …

There is a pressing need to shorten the development period for new materials possessing
desired properties. For example, bulk metallic glasses (BMGs) are a unique class of alloy …

Hardness and fracture toughness are some of the most important mechanical properties.
Here, we propose a simple model that uses only the elastic properties to calculate the …

Boron (B) is known as a melting-point depressant for the middle interlayer to transient liquid
phase (TLP) bonding of nickel-based single-crystal alloys. However, the mechanisms of B …

Insight into the high pressure behavior is very important for the engineering applications of
high temperature ceramics. However, the mechanical and thermodynamic properties of MoC …

Abstract Machine learning (ML) models utilizing structure-based features provide an efficient
means for accurate property predictions across diverse chemical spaces. However …