CHAPTER 1 Dwina Mahira Nahdi
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CHAPTER 2 Dwina Mahira Nahdi
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CHAPTER 3 Dwina Mahira Nahdi
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CHAPTER 4 Dwina Mahira Nahdi
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CHAPTER 5 Dwina Mahira Nahdi
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REFERENCES Dwina Mahira Nahdi
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Alloys have evolved to support civilization with improved properties and
performance. High-entropy alloys (HEAs), containing at least five elements
each ranging from 5 to 35 at.% and a ?Smix ? 1.5R, show promising mechanical
properties. CoCrFeMnNi HEA, the first ever found HEA, is known for its
excellent mechanical properties, making it suitable for high-temperature
aerospace and nuclear applications, room-temperature electronics, biomedic,
and coating, and low-temperature LNG storage. Hardness, an essential alloy
property, is related to stacking-fault energy (SFE). Optimizing alloy
composition based on SFE across wide temperatures demands extensive
experimentation, necessitating a more efficient approach. This study aims to
provide CoCrFeMnNi HEA design guidelines by analyzing SFE for wide
compositions and temperature ranges through thermodynamic calculation and
machine learning approaches, which have not been previously conducted.
In this study, SFE of CoCrFeMnNi HEAs were thermodynamically calculated
using the Olsen-Cohen equation in MATLAB across a compositional range of
5—40 at.% and temperatures from 1 to 1200 K. The results were analyzed to
investigate the effect of element composition, temperature, and magnetic
contributions on SFE and used as inputs for machine learning models—random
forest (RF), support vector machine (SVM), and neural network (ANN)—
trained in Google Colaboratory. Root mean square error (RMSE) and accuracy
were used to determine the best model, while feature importance and Spearman
correlation identified the influence and correlation of temperature and
composition on SFE, leading to practical design recommendations for
CoCrFeMnNi HEAs.
RF, SVM, and ANN were applicable for predicting SFE. Among the models
investigated, ANN emerged as the best model, with the lowest RMSE value of
1.02 and the highest accuracy of 98.8%. Overall, SFE increased with increasing
temperature. Magnetic contributions are extremely high at low temperatures but
decrease significantly as temperature increases. The addition of Fe and Ni
elements increases SFE values, while the addition of Co, Cr, and Mn elements
decreases SFE values. Therefore, the recommended compositions of
CoCrFeMnNi HEA at room temperature (300 K) to achieve twinning
deformation consists of 5—40 at.% Co, 5—37 at.% Cr, 13—40 at.% Fe, 5—36
at.% Mn, and 5—40 at.% Ni. The composition of the HEAs can also refer to
CrFeNi(100-x-y)CoxMny, FeMnNi(100-x-y)CoxCry, and CoCrFe(100-x-y)NixMny
formulas. Co16Cr36Fe16Mn16Ni16 and Co19Cr24Fe19Mn19Ni19 (high Cr), as well as
Co19Cr19Fe19Mn24Ni19 and Co18Cr18Fe18Mn28Ni18 (high Mn), are examples of
attractive compositions with lower SFEs than the equiatomic composition and
deformation by twinning at room temperature.????