A property-oriented self-decision design strategy of low-alloyed rare earth-free magnesium alloys with a good strength-ductility synergy based on machine learning

Abstract

Machine learning (ML) is revolutionizing alloy design, yet traditional models face challenges with limited data and complex nonlinearities. Our study presents a self-decision design strategy that integrates target property determination, reverse and forward modeling, and feature importance analysis to optimize low-alloyed rare earth (RE)-free magnesium alloys for strength-ductility synergy. The strategy was validated with experimental data, leading to the development of a new Mg-2Al-1Zn-0.6Ca-0.4Mn (wt%) alloy processed at specific conditions, achieving a tensile strength of 344 MPa and an elongation-to-failure (EL) of 21.3% at room temperature. The discrepancies between experimental and predicted results were less than 5%, underscoring the accuracy of this approach. This streamlined design strategy not only promises to accelerate the development of low-cost, high-performance alloys but also minimizes the need for human intervention, thereby enhancing the efficiency and precision of alloy design.

Keywords

Magnesium alloy / machine learning / self-decision / microstructure / strength-ductility synergy

References

[1] Setiawan D,Pyun J.Magnesium alloys as alternative anode materials for rechargeable magnesium-ion batteries: review on the alloying phase and reaction mechanisms.J Magnes Alloys2024;12:3476-90

[2] Zhang J,Qi J.Advanced Mg-based materials for energy storage: fundamental, progresses, challenges and perspectives.Prog Mater Sci2025;148:101381

[3] Yang H,Song J.Current progress of research on heat-resistant Mg alloys: a review.Int J Miner Metall Mater2024;31:1406-25

[4] Ovri H,Barthel J,Dieringa H.Mechanistic origin of the enhanced strength and ductility in Mg-rare earth alloys.Acta Mater2023;244:118550

[5] Wei J,Cai H,Lei C.Microstructure and impact behavior of Mg-4Al-5RE-xGd cast magnesium alloys.J Magnes Alloys2024;12:1799-814

[6] Wang K,Dang C.Achieving ultrahigh strength in pre-ageing-extruded Mg-Gd-Y-Zn-Mn alloys via ageing treatment.J Mater Res Technol2023;25:7169-79

[7] Huang Y,Liu C,Gao Y.Effect of forging temperature on the microstructure, subsequent aging precipitation behavior, and mechanical properties of Mg-Gd-Y-Zr-Ag alloy.J Mater Sci Technol2024;181:41-57

[8] Hua Z,Wang C.Pre-strain mediated fast natural aging in a dilute Mg-Zn-Ca-Sn-Mn alloy.Scr Mater2021;200:113924

[9] Bian M,Nakata T.Bake-hardenable Mg–Al–Zn–Mn–Ca sheet alloy processed by twin-roll casting.Acta Mater2018;158:278-88

[10] Li ZH,Bian MZ.Role of Zn on the room temperature formability and strength in Mg–Al–Ca–Mn sheet alloys.J Alloys Compd2020;847:156347

[11] Zhai H,Wang Q.Achieving high strength near 400 MPa in an ultra-fine grained Mg–Bi–Ca ternary alloy via low-temperature extrusion.J Mater Res Technol2023;26:3973-91

[12] Wang H,Qiu C,Chen D.Achieving superior strength-ductility synergy in a heterostructured magnesium alloy via low-temperature extrusion and low-temperature annealing.JMater Sci Technol2023;163:32-44

[13] Liu X,Pei R,Yuan L.Role of extrusion rate on the microstructure and tensile properties evolution of ultrahigh-strength low-alloy Mg-1.0Al-1.0Ca-0.4Mn (wt.%) alloy.J Magnes Alloys2023;11:553-61

[14] Zhang J,Yang Q.Bimodal grain structure formation and strengthening mechanisms in Mg-Mn-Al-Ca extrusion alloys.J Magnes Alloys2023;11:4407-19

[15] Huo PD,Xu HY,Gao RH.Achieving large-scale gradient structure in the AZ31 magnesium alloys for extraordinary strength-ductility synergy by hard plate rolling.J Alloys Compd2023;944:169176

[16] Thanabal N,Seenuvasaperumal P,Elayaperumal A.Microstructure and mechanical behavior of AXM Mg alloy systems - a review.J Magnes Alloys2024;12:2624-46

[17] Lee J,Lee Y.Design of high strength medium-Mn steel using machine learning.Mater Sci Eng A2022;843:143148

[18] Li X,Pan H,Ding W.An integrated design of novel RAFM steels with targeted microstructures and tensile properties using machine learning and CALPHAD.J Mater Inf2024;4:27

[19] Yuan Y,Li P,Zhou H.Multi-model integration accelerates Al-Zn-Mg-Cu alloy screening.J Mater Inf2024;4:23

[20] Qin X,Wang L,Jiang B.A novel multimodal feature fusion convolutional neural network to predict the mechanical properties of magnesium alloys.Mater Lett2024;370:136863

[21] Hairani H,Dwi Prasetya D.Addressing class imbalance of health data: a systematic literature review on modified synthetic minority oversampling technique (SMOTE) strategies.JOIV Int J Inform Vis2024;8:1310

[22] Low AK,Lim Y.Mapping pareto fronts for efficient multi-objective materials discovery.J Mater Inf2023;3:11

[23] Wang Q,Xia S.Interpretable machine learning excavates a low-alloyed magnesium alloy with strength-ductility synergy based on data augmentation and reconstruction. J. Magnes. Alloys. 2025, In Press.

[24] Habeb AAAA,Li J,Zhu N.Enhancing medical image classification with an advanced feature selection algorithm: a novel approach to improving the cuckoo search algorithm by incorporating caputo fractional order.Diagnostics2024;14:1191 PMCID:PMC11172208

[25] Zhang W,Wang L.Prediction of the yield strength of as-cast alloys using the random forest algorithm.Mater Today Commun2024;38:108520

[26] Jiang L,Fu H,Zhang Z.Discovery of aluminum alloys with ultra-strength and high-toughness via a property-oriented design strategy.J Mater Sci Technol2022;98:33-43

[27] Xu S,Kamado S,Homma T.Effects of different cooling rates during two casting processes on the microstructures and mechanical properties of extruded Mg–Al–Ca–Mn alloy.Mater Sci Eng A2012;542:71-8

[28] Zeng ZR,Nie JF,Davies CHJ.Effects of calcium on strength and microstructural evolution of extruded alloys based on Mg-3Al-1Zn-0.3Mn.Metall Mater Trans A2019;50:4344-63

[29] Song L,Zhang Y,Cong M.The effect of Ca addition on microstructure and mechanical properties of extruded AZ31 alloys.Vacuum2019;168:108822

[30] Li Z,Zheng M.Effect of Ca/Al ratio on microstructure and mechanical properties of Mg-Al-Ca-Mn alloys.Mater Sci Eng A2017;682:423-32

[31] Jiang Z,Yang H,Dai J.Influence of the Al₂Ca phase on microstructure and mechanical properties of Mg–Al–Ca alloys.J Alloys Compd2015;647:357-63

[32] Yang A,Deng K.Improved tensile properties of low-temperature and low-speed extruded Mg–χAl–(4.8−χ)Ca–0.6Mn alloys.J Mater Res Technol2020;9:11717-30

[33] Zhang Z,Chen X.Achieving ultra-high extrusion speed and strength-ductility synergy in a BAZ531 magnesium alloy via differential-thermal extrusion.Mater Sci Eng A2025;923:147687

[34] Xiao Z,Huang W.Unexpected effects on creep resistance of an extruded Mg-Bi alloy by Zn and Ca co-addition: experimental studies and first-principles calculations.J Mater Sci Technol2024;201:166-86

[35] Peng P,She J.Novel low-cost magnesium alloys with high yield strength and plasticity.Mater Sci Eng A2019;766:138332

[36] Jiang C,Pan H.Effect of Al addition on microstructure and mechanical property of Mg-Mn-Ca-Ce based alloy.J Alloys Compd2024;1005:175975

[37] Zhang W,Pan H.Enhancing strength and irradiation tolerance of Mg alloy via co-addition of Mn and Ca elements.J Mater Sci Technol2025;216:38-51

[38] Zhu Y,Anderson PM.Heterostructured materials: superior properties from hetero-zone interaction.Mater Res Lett2021;9:1-31

[39] Chen X,Wang M.Research progress of heterogeneous structure magnesium alloys: a review.J Magnes Alloys2024;12:2147-81

[40] Liu C,Chen J,Pan F.The effects of Ca and Mn on the microstructure, texture and mechanical properties of Mg-4 Zn alloy.J Magnes Alloys2021;9:1084-97

[41] Pan H,Li J.Mechanistic investigation of a low-alloy Mg–Ca-based extrusion alloy with high strength–ductility synergy.Acta Mater2020;186:278-90

[42] Nie J.Effects of precipitate shape and orientation on dispersion strengthening in magnesium alloys.Scr Mater2003;48:1009-15

[43] Lan Y.Multiple strengthening mechanisms of grain/twin boundaries, dislocations and nanoprecipitates in Mg alloys induced by laser shock processing.Mater Today Commun2024;38:107645

[44] Fu W,Guo S.Heterogeneous fiberous structured Mg-Zn-Zr alloy with superior strength-ductility synergy.J Mater Sci Technol2023;134:67-80

[45] Xu J,Xin Y.The mechanism for Li-addition induced homogeneous deformation in Mg-4.5wt.% Li alloy.Inter J Plast2023;170:103763

[46] Wu Z,Yin B,Curtin WA.Mechanistic origin and prediction of enhanced ductility in magnesium alloys.Science2018;359:447-52

[47] Zhu G,Zhou H.Improving ductility of a Mg alloy via non-basal <a> slip induced by Ca addition.Int J Plast2019;120:164-79

[48] Gu G,Hu F.Fine-grained Mg–1Mn–0.5Al–0.5Ca–0.5Zn alloy with high strength and good ductility fabricated by conventional extrusion.Trans Nonferrous Met Soc China2022;32:483-92

[49] Ji W,Vivegananthan P,Gao H.Recent progress in gradient-structured metals and alloys.Prog Mater Sci2023;140:101194