Phase classification of multi-principal element alloys via interpretable machine learning

K Lee, MV Ayyasamy, P Delsa, TQ Hartnett… - npj Computational …, 2022 - nature.com
There is intense interest in uncovering design rules that govern the formation of various
structural phases as a function of chemical composition in multi-principal element alloys …

Machine learning for phase selection in multi-principal element alloys

N Islam, W Huang, HL Zhuang - Computational Materials Science, 2018 - Elsevier
Multi-principal element alloys (MPEAs) especially high entropy alloys have attracted
significant attention and resulted in a novel concept of designing metal alloys via exploring …

A comparison of explainable artificial intelligence methods in the phase classification of multi-principal element alloys

K Lee, MV Ayyasamy, Y Ji, PV Balachandran - Scientific Reports, 2022 - nature.com
We demonstrate the capabilities of two model-agnostic local post-hoc model interpretability
methods, namely breakDown (BD) and shapley (SHAP), to explain the predictions of a black …

Structure prediction of multi-principal element alloys using ensemble learning

A Choudhury, T Konnur, PP Chattopadhyay… - Engineering …, 2020 - emerald.com
Purpose The purpose of this paper, is to predict the various phases and crystal structure
from multi-component alloys. Nowadays, the concept and strategies of the development of …

Short-range order and its impacts on the BCC MoNbTaW multi-principal element alloy by the machine-learning potential

PA Santos-Florez, SC Dai, Y Yao, H Yanxon, L Li… - Acta Materialia, 2023 - Elsevier
We utilize a machine-learning force field, trained by a neural network (NN) with bispectrum
coefficients as descriptors, to investigate the chemical short-range order (SRO) influences …

[HTML][HTML] Machine learning correlated with phenomenological mode unlocks the vast compositional space of eutectics of multi-principal element alloys

K Chen, Z Xiong, M An, T Xie, W Zou, Y Xue, X Cheng - Materials & Design, 2022 - Elsevier
Eutectic multi-principal element alloys (MPEAs) present a vast compositional space of
eutectics, providing a great potential to tailor mechanical performance. However, only limited …

An informatics guided classification of miscible and immiscible binary alloy systems

RF Zhang, XF Kong, HT Wang, SH Zhang, D Legut… - Scientific reports, 2017 - nature.com
The classification of miscible and immiscible systems of binary alloys plays a critical role in
the design of multicomponent alloys. By mining data from hundreds of experimental phase …

cardiGAN: A generative adversarial network model for design and discovery of multi principal element alloys

Z Li, WT Nash, SP O'Brien, Y Qiu, RK Gupta… - Journal of Materials …, 2022 - Elsevier
Multi-principal element alloys (MPEAs), inclusive of high entropy alloys (HEAs), continue to
attract significant research attention owing to their potentially desirable properties. Although …

Performance-oriented multistage design for multi-principal element alloys with low cost yet high efficiency

J Li, B Xie, L Li, B Liu, Y Liu, D Shaysultanov… - Materials …, 2022 - pubs.rsc.org
Multi-principal element alloys (MPEAs) with remarkable performances possess great
potential as structural, functional, and smart materials. However, their efficient performance …

[HTML][HTML] A machine learning framework for elastic constants predictions in multi-principal element alloys

N Linton, DS Aidhy - APL Machine Learning, 2023 - pubs.aip.org
On the one hand, multi-principal element alloys (MPEAs) have created a paradigm shift in
alloy design due to large compositional space, whereas on the other, they have presented …