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A machine learning approach for accelerated design of magnesium alloys. Part A:Alloy data and property space

Journal of Magnesium and Alloys 2023年第11期11卷 3620-3633页

作者： M.Ghorbani M.Boley P.n.H.nakashima n.birbilis Department of Materials Science and Engineering Monash UniversityVIC3800Australia Faculty of Information Technology Monash UniversityVIC3800Australia College of Engineering and Computer Science Australian National UniversityACT2601Australia Faculty of Engineering Science and the Built EnvironmentDeakin UniversityVIC3125Australia

Typically, magnesium alloys have been designed using a so-called hill-climbing approach, with rather incremental advances over the past century. Iterative and incremental alloy design is slow and expensive, but more importantly it does not harness all the data that exists in the field. In this work, a new approach is proposed that utilises data science and provides a detailed understanding of the data that exists in the field of Mg-alloy design to date. In this approach, first a consolidated alloy database that incorporates 916 datapoints was developed from the literature and experimental work. To analyse the characteristics of the database, alloying and thermomechanical processing effects on mechanical properties were explored via composition-process-property matrices. An unsupervised machine learning(ML) method of clustering was also implemented, using unlabelled data, with the aim of revealing potentially useful information for an alloy representation space of low dimensionality. In addition, the alloy database was correlated to thermodynamically stable secondary phases to further understand the relationships between microstructure and mechanical properties. This work not only introduces an invaluable open-source database, but it also provides, for the first-time data, insights that enable future accelerated digital Mg-alloy design.

关键词： Magnesium Alloy design Mg-alloy database Data analysis Data visualisation Unsupervised machine learning

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

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Journal of Materials Science & Technology 2022年第30期125卷 81-96页

作者： Z.Li W.T.nash S.P.O’Brien Y.Qiu R.K.Gupta n.birbilis College of Engineering and Computer Science The Australian National UniversityA.C.T.Acton 2601Australia Department of Materials Science and Engineering Monash UniversityClaytonVictoria 3800Australia Department of Materials Science and Engineering North Carolina State UniversityRaleighNC 27695USA

Multi-principal element alloys(MPEAs),inclusive of high entropy alloys(HEAs),continue to attract significant research attention owing to their potentially desirable *** MPEAs remain under extensive research,traditional(***)alloy production and testing are both costly and timeconsuming,partly due to the inefficiency of the early discovery process which involves experiments on a large number of alloy *** is intuitive to apply machine learning in the discovery of this novel class of materials,of which only a small number of potential alloys have been probed to *** this work,a proof-of-concept is proposed,combining generative adversarial networks(GAns)with discriminative neural networks(nns),to accelerate the exploration of novel *** applying the GAn model herein,it was possible to directly generate novel compositions for MPEAs,and to predict their *** verify the predictability of the model,alloys designed by the model are presented and a candidate produced-as *** suggests that the model herein offers an approach that can significantly enhance the capacity and efficiency of development of novel MPEAs.

关键词： Alloy design Machine learning Generative adversarial network neural network Multi-principal element alloy High entropy alloys

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Effect of multiaxial deformation on structure, mechanical properties, and corrosion resistance of a Mg-Ca alloy

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Journal of Magnesium and Alloys 2022年第1期10卷 284-298页

作者： n.Yu.Yurchenko n.D.Stepanov G.A.Salishchev V.n.Serebryany n.S.Martynenko E.A.Lukyanova L.L.Rokhlin n.birbilis S.V.Dobatkin Y.Z.Estrin Belgorod State national Research University BelgorodRussia Federal State Budget Institution of Science A.A.Baikov Institute of Metallurgy and Materials Science.Russian Academy of SciencesMoscowRussia national University of Science and Technology"MISiS" MoscoicRussia Department of Materials Engineering Monash UniversityClaytonVIC 3800Australia Department of Mechanical Engineering The University of Western AustraliaMedian ds WA 6009、Australia

This article provides a report on the effect of multiaxial deformation(MAD) on the structure, texture, mechanical characteristics, and corrosion resistance of the Mg-0.8(wt.)% Ca alloy. MAD was carried out on the alloy in the as-cast and the annealed states in multiple passes, with a stepwise decrease in the deformation temperature from 450 to 250 ℃ in 50 ℃ steps. The cumulative true strain at the end of the process was 22.5. In the case of the as-cast alloy, this resulted in a refined microstructure characterized by an average grain size of 2.7 μm and a fraction of high-angle boundaries(HABs) of 57.6%. The corresponding values for the annealed alloy were 2.1 μm and 68.2%. The predominant mechanism of structure formation was associated with discontinuous and continuous dynamic recrystallization acting in concert. MAD was also shown to lead to the formation of a rather sharp prismatic texture in the as-cast alloy, whilst in the case of the annealed one the texture was weakened. A displacement of the basal poles {00.4} from the periphery to the center of a pole figure was observed. These changes in the microstructure and texture gave rise to a significant improvement of the mechanical characteristics of the alloy. This included an increase of the ultimate tensile strength reaching 308 MPa for annealed material and 264 MPa for the as-cast one in conjunction with a twofold increase in ductility. A further important result of the MAD processing was a reduction of the rate of electrochemical corrosion, as indicated by a significant decrease in the corrosion current density in both microstructural states of the alloy studied.

关键词： Metals and alloys Multiaxial deformation Microstructure Recrystallization Mechanical properties Corrosion

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Lithium mapping in a Mg-9Li-4Al-1Zn alloy using electron energy-loss spectroscopy

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Journal of Magnesium and Alloys 2023年第4期11卷 1170-1179页

作者： Yu Zhang Laure Bourgeois Yu Chen Zhuoran Zeng nick birbilis Philip n.H.nakashima Department of Materials Science and Engineering Monash UniversityVIC 3800Australia Monash Centre for Electron Microscopy Monash UniversityVIC 3800Australia College of Engineering and Computer Science Australian National UniversityACT 2601Australia Faculty of Science Engineering and Built EnvironmentDeakin UniversityVIC 3125Australia

Magnesium-lithium alloys with high lithium content have been attracting significant attention because of their low density,high formability and corrosion *** properties are dependent on the distribution of lithium,which is difficult to map in the presence of *** this work,a ratio spectrum-imaging method with electron energy-loss spectroscopy(EELS)is demonstrated,which enables the mapping of *** application to LAZ941(Mg-9Li-4Al-1Zn in wt.%),this technique revealed that a key precipitate in the microstructure,previously thought by some to be Mg_(17)Al_(12),is in fact rich in *** result was corroborated with a structural investigation by high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM),showing this phase to be Al_(1-x)Zn_(x)Li,with xndicates the potential offered by this technique for mapping lithium in materials.

关键词： Lithium mapping Magnesium alloys Electron energy-loss spectroscopy(EELS) High-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM)

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Conversion coatings of Mg-alloy AZ91D using trihexyl(tetradecyl) phosphonium bis(trifluoromethanesulfonyl)amide ionic liquid

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Science China Chemistry 2012年第8期55卷 1598-1607页

作者： HOWLETT P. C. GRAMET S. LIn J. EFTHIMIADIS J. CHEn X. B. birbilis n. FORSYTH M. ARC Centre of Excellence for Electromaterials Science Institute for Frontier Materials Deakin Univerxlty Burwood Campus Burwood Victoria 3125 Australia CAST Cooperative Research Centre Department of Materials Engineering Monash University Melbourne Victoria 3800 Australia

This work reveals the performance of a trihexyl(tetradecyl)phosphonium bis(trifluoromethanesulfonyl)amide ([P6,6,6,14][nTf2]) ionic liquid (IL) conversion coating upon AZ91D. Such conversion coatings represent a novel avenue for chromate replacement. An optimization of coating performance was pursued by careful alloy pretreatment to generate a surface on which the coating performs best, as the AZ91 substrate is distinctly different from pure or dilute Mg alloys. The results reveal that a functional conversion coating can be achieved, retarding anodic dissolution kinetics, causing a significant decrease in corrosion rate. The coating efficacy is closely tied to the pretreatment performed, which dictates both the microstructural and electrochemical heterogeneity of the surface. The resulting coatings were found to contain MgxFx and phosphonium cation related components, the proportions of which were dependent on the pretreatment.

关键词： AZ91D corrosion conversion coating ionic liquid pretreatment

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