Seeking for low thermal conductivity atomic configurations in $\mathrm{S}{\mathrm{i}}_{0.5}\mathrm{G}{\mathrm{e}}_{0.5}$ alloys with Bayesian Optimization

Jiahao Yan, Han Wei, Han Xie +2

The emergence of data-driven science has opened up new avenues for understanding the thermophysical properties of materials. For decades, alloys are known to possess very low therm…