[HTML][HTML] Current application status of multi-scale simulation and machine learning in research on high-entropy alloys
High-entropy alloys (HEAs) have garnered significant attention across various fields owing
to their unique design incorporating multi-principal elements and remarkable …
to their unique design incorporating multi-principal elements and remarkable …
[HTML][HTML] First-principles prediction of the Co–Al phase diagram including configurational, vibrational and magnetic contributions
Co-based superalloys have attracted attention to replace Ni-based superalloys in high
temperature structural applications because of their higher melting temperature and …
temperature structural applications because of their higher melting temperature and …
A study on the phase diagram of Re-Zr refractory system
X Che, S Qin, J Huang, X Shi, D Huang - International Journal of Refractory …, 2023 - Elsevier
The different volume of Rhenium (Re) and zirconium (Zr) will affect the phase composition
and thus change the mechanical properties of the core critical hot end components of gas …
and thus change the mechanical properties of the core critical hot end components of gas …
Estimation of Activity and Molar Excess Gibbs Energy of Binary Liquid Alloys Pb-Sn, Al-Sn and In-Zn from the Partial Radial Distribution Function Simulated by Ab Initio …
T Zhang, X Chen, Y Lu, J Hang, D Tao - Metals, 2024 - mdpi.com
For the present, it is difficult to obtain thermodynamic data for binary liquid alloys by
experimental measurements. In this study, the molecular dynamics processes of the binary …
experimental measurements. In this study, the molecular dynamics processes of the binary …
Data-driven study of the enthalpy of mixing in the liquid phase
The enthalpy of mixing in the liquid phase is a thermodynamic property reflecting
interactions between elements that is key to predict phase transformations. Widely used …
interactions between elements that is key to predict phase transformations. Widely used …