Theory-guided machine learning to predict configurational energies of high distortion alloy systems
Cluster expansion (CE) is a popular surrogate model to density functional theory (DFT) for modeling the stability of alloy systems through configurational energies. However, since CE is a lattice-based model, its accuracy is often poor when applied to high-entropy alloys (HEAs) with significan...
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Format: | Final Year Project |
Language: | English |
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Nanyang Technological University
2023
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Online Access: | https://hdl.handle.net/10356/165985 |
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Institution: | Nanyang Technological University |
Language: | English |