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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Bibliographic Details
Main Author: Huang, Xufa
Other Authors: Kedar Hippalgaonkar
Format: Final Year Project
Language:English
Published: Nanyang Technological University 2023
Subjects:
Online Access:https://hdl.handle.net/10356/165985
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Institution: Nanyang Technological University
Language: English