Developing a variable charge potential for Hf/Nb/Ta/Ti/Zr/O system via machine learning global optimization
Despite widespread attentions on the HfNbTaTiZr refractory high-entropy alloy (RHEA) owing to various exceptional properties, insights into nanostructure-property relations are severely hindered by the lack of reliable interatomic potentials in atomistic simulations. In this paper, we propose a supe...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-06-01
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| Series: | Materials & Design |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127523004148 |