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cond-mat.mtrl-sci2021
Neural network based order parameter for phase transitions and its applications in high-entropy alloys
Junqi Yin, Zongrui Pei, Michael Gao
Phase transition is one of the most important phenomena in nature and plays a central role in materials design. All phase transitions are characterized by suitable order parameters…
cond-mat.mtrl-sci2021★ 4 cited
Ab-initio free energies of liquid metal alloys: application to the phase diagrams of Li-Na and K-Na
Yang Huang, Michael Widom, Michael C. Gao
Comparison of free energies between different phases and different compositions underlies the prediction of alloy phase diagrams. To allow direct comparison, consistent reference p…