We design materials with theories, computations and data.
We recently discovered some surprising properties in the NbTaTiV high-entropy alloys. For example, the alloy shows good elastic isotropy at room temperature, but with the increase of temperature, its elastic anisotropy actually increases. Such temperature dependence of elastic anisotropy is not induced by phase transformations, but is an intrinsic feature of the BCC high entropy alloy. Our first-principles and machine learning predictions are in good agreement with experimental observations. These results are reported in an article on Science Advances.
The study was in collaboration with Prof. Peter Liaw's group at University of Tennessee and Prof. Yi-Chia Chou's group at National Chiao Tung University in Taiwan.
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September 2020
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