In the design and development of novel materials that have excellent mechanical properties,
classification and regression methods have been diversely used across mechanical …

Understanding the nature of liquid structures and properties has always been a hot field in
condensed matter physics and metallic materials science. The liquid is not homogeneous …

In this work, we demonstrate the atomic-level understanding of thermodynamic and dynamic
properties of Ti-Ni melts via ab initio molecular dynamics simulations at 2033 K. It was found …

Long periodic stacking ordered phases (LPSOs), consisting of various configurations of
stacking faults, play an important role in developing ultrastrong Mg alloys with moderate …

Calculating viscosity in multicompoinent metallic melts is a challenging task for both
classical and ab initio molecular dynamics simulations methods. The former may not to …

This article presents a brief review of our case studies of data-driven Integrated
Computational Materials Engineering (ICME) for intelligently discovering advanced …

Scandium is well known to produce grain refinement in Al-based alloys, and its potency is
generally attributed to intermetallic Al 3 Sc formation within liquid phase. However, the …

It is a long-sought goal to achieve desired mechanical properties through tailoring phase
formation in alloys, especially for complicated multi-phase alloys. In fact, unveiling …

Grain boundaries (GB) have a significant impact on mechanical, physical properties and
microstructure of polycrystalline materials. Their studies are necessary for designing …

Here, the nature of intergranular corrosion features and mechanisms for commercial 5083-
H111, 6082-T6 and 6005A-T6 Al alloys are investigated comprehensively, supporting …