Emergence of machine learning in the development of high entropy alloy and their prospects in advanced engineering applications

Journal article


Kumar, N., Goel, G. and Goel, S. (2021). Emergence of machine learning in the development of high entropy alloy and their prospects in advanced engineering applications. Emergent Materials. https://doi.org/10.1007/s42247-021-00249-8
AuthorsKumar, N., Goel, G. and Goel, S.
Abstract

The high entropy alloys have become the most intensely researched materials in recent times. They offer the flexibility to choose a large array of metallic elements in the periodic table, a combination of which produces distinctive desirable properties that are not possible to be obtained by pristine metals. Over the past decade, a myriad of publications has inundated the aspects of materials synthesis concerning HEA. Hitherto, the practice of HEA development has largely relied on a trial-and-error basis and the hassles associate with this effort can be reduced by adopting a machine learning approach. This way, the “right first time” approach can be adopted to deterministically predict the right combination and composition of metallic elements to obtain the desired functional properties. This article reviews the latest advances in adopting machine learning approaches to predict and develop newer compositions of high entropy alloys. The review concludes by highlighting the newer applications areas that this accelerated development has enabled such that the HEA coatings can now potentially be used in several areas ranging from catalytic materials, electromagnetic shield protection and many other structural applications.

KeywordsHigh entropy alloy (HEA); Machine learning, Multi-component alloy; Molecular dynamics; Density functional theory
Year2021
JournalEmergent Materials
PublisherSpringer
Digital Object Identifier (DOI)https://doi.org/10.1007/s42247-021-00249-8
Web address (URL)https://www.springer.com/journal/42247
Publication dates
Print09 Jul 2021
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Accepted08 Jun 2021
Deposited07 Jun 2021
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Goel, S., Knaggs, M., Goel, G., Zhou, X. W., Upadhyaya, H.M., Thakur, V. F., Kumar, V., Bizarri, G., Tiwari, A., Murphy, A., Stukowskii, A. and Matthewsj, A. (2020). Horizons of modern molecular dynamics simulation in digitalised solid freeform fabrication with advanced materials. Materials Today Chemistry. 18, p. 100356. https://doi.org/10.1016/j.mtchem.2020.100356
Surface Defect incorporated Diamond Machining of Silicon
Khatri, N., Barkachary, B.M., Muneeswaran, B/, Al-Sayegh, R., Luo, X. and Goel, S. (2020). Surface Defect incorporated Diamond Machining of Silicon. Int J of Extreme Manufacturing. 2 (4). https://doi.org/10.1088/2631-7990/abab4a
Distribution of shallow NV centers in diamond revealed by photoluminescence spectroscopy and nanomachining
Jadidi, M.F., Ozer, H.O., Goel, S, Kilpatrick, J.I., McEvoy, N., McCloskey, D., Donegan, J.F. and Cross, G.L.W. (2020). Distribution of shallow NV centers in diamond revealed by photoluminescence spectroscopy and nanomachining. Carbon. 167, pp. 114-121. https://doi.org/10.1016/j.carbon.2020.04.086
Elastic recovery of monocrystalline silicon during ultra-fine rotational grinding
Huang, N., Yan, Y., Zhou, P., Kang, R., Guo, D. and Goel, S. (2020). Elastic recovery of monocrystalline silicon during ultra-fine rotational grinding. Precision Engineering. 65, pp. 64-71. https://doi.org/10.1016/j.precisioneng.2020.05.004
Resilient and Agile Engineering Solutions to Address Societal Challenges like Coronavirus Pandemic
Goel, S., Hawi, S., Goel, G., Thakur, V.K., Pearce, O., Hoskins, C., Hussain, T., Agrawal, A., Upadhyaya, H., Cross, G. and Barber, A. (2020). Resilient and Agile Engineering Solutions to Address Societal Challenges like Coronavirus Pandemic. Materials Today Chemistry. https://doi.org/10.1016/j.mtchem.2020.100300
The Critical Raw Materials in Cutting Tools for Machining Applications: A Review
Goel, S. (2020). The Critical Raw Materials in Cutting Tools for Machining Applications: A Review. Materials MDPI. 13 (1377). https://doi.org/10.3390/ma13061377
An experimental study on lap joining of multiple sheets of aluminium alloy (AA 5754) using friction stir spot welding
Goel, S., Zlatanovic DL and Balos S (2020). An experimental study on lap joining of multiple sheets of aluminium alloy (AA 5754) using friction stir spot welding. International Journal of Advanced Manufacturing Technology. 107, pp. 3093-3107. https://doi.org/10.1007/s00170-020-05214-z
Towards an improved understanding of plasticity, friction and wear mechanisms in precipitate containing AZ91 Mg alloy
Kumar D, Goel, S., Gosvami N and Jain J (2020). Towards an improved understanding of plasticity, friction and wear mechanisms in precipitate containing AZ91 Mg alloy. Materialia. 10, p. 100640. https://doi.org/10.1016/j.mtla.2020.100640
Functional evaluation and testing of a newly developed Teleost’s Fish Otolith derived biocomposite coating for healthcare
Goel, S, Montanez, N. D., Carreno, H., Escobar, P., Estupinan, H. A., Pena, D. Y. and Endrino, J. L. (2020). Functional evaluation and testing of a newly developed Teleost’s Fish Otolith derived biocomposite coating for healthcare. Scientific Reports. 10 (1), pp. 1-16. https://doi.org/10.1038/s41598-019-57128-w
Fused deposition modeling-based additive manufacturing (3D printing): techniques for polymer material systems
Daminabo, S. C., Goel, S, Grammatikos, S. A., Nezhad, H. Y. and Thakur, V. K. (2020). Fused deposition modeling-based additive manufacturing (3D printing): techniques for polymer material systems. Materials Today Chemistry. 16, p. 100248. https://doi.org/10.1016/j.mtchem.2020.100248
On the Use of the Theory of Critical Distances with Mesh Control for Fretting Fatigue Lifetime Assessment
Zabala, A., Infante-Garcia, Giner, E., Goel, S., Endrino, J.L. and Llavori, I. (2020). On the Use of the Theory of Critical Distances with Mesh Control for Fretting Fatigue Lifetime Assessment . Tribology International. 142, p. 105985. https://doi.org/https://doi.org/10.1016/j.triboint.2019.105985
Ultra-Low Temperature CO Oxidation Activity of Octahedral Site Cobalt Species in Co3O4 Based Catalysts: Unravelling the Origin of Unique Catalytic Property
Baidya, T., Murayama, T., Nellaiappan, S., Kumar, N., Bera, P., Safonova, O., Lin, M., Priolkar, K.R., Kundo, S., Rao, B.S., Steiger, P., Sharma, S., Biswas, K., Pradhan, S.K., Lingaiah, N., Malviya, K.D. and Hatura, M. (2019). Ultra-Low Temperature CO Oxidation Activity of Octahedral Site Cobalt Species in Co3O4 Based Catalysts: Unravelling the Origin of Unique Catalytic Property. The Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.9b04136
Benchmarking of several material constitutive models for tribology, wear, and other mechanical deformation simulations of Ti6Al4V
Liu C, Goel S, Llavori I, Stolf P, Giusca CL, Zabala A, Kohlscheen J, Paiva JM, Endrino JL and Veldhuis SC Fox Rabinovich GS (2019). Benchmarking of several material constitutive models for tribology, wear, and other mechanical deformation simulations of Ti6Al4V. Journal of the Mechanical Behavior of Biomedical Materials. 97, pp. 126-137. https://doi.org/10.1016/j.jmbbm.2019.05.013
Cryomilling: An environment friendly approach of preparation large quantity ultra refined pure aluminium nanoparticles
Kumar, N. and Biswas, K. (2019). Cryomilling: An environment friendly approach of preparation large quantity ultra refined pure aluminium nanoparticles. Journal of Materials Research and Technology. 8 (1), pp. 63-74. https://doi.org/10.1016/j.jmrt.2017.05.017
Stabilization of a Highly Concentrated Colloidal Suspension of Pristine Metallic Nanoparticles
Kumar, N., Biswas, K., Tiwary, C.S., Machado, L.D. and Gupta, R.K. (2019). Stabilization of a Highly Concentrated Colloidal Suspension of Pristine Metallic Nanoparticles. Langmuir. 35 (7), pp. 2668-2673. https://doi.org/10.1021/acs.langmuir.8b03401
The Effect of Configurational Entropy of Mixing on the Design and Development of Novel Materials
Biswas, K. and Kumar, N. (2019). The Effect of Configurational Entropy of Mixing on the Design and Development of Novel Materials. Proceedings of the Indian National Science Academy. 86 (3), pp. 1127-1134. https://doi.org/10.16943/ptinsa/2019/49674
Fabrication of functionalised surfaces on Gum metal (Ti-30Nb) using micromachining
Hawi, S., Dickins, A., Pardal, G.R., Giusca, C., Pearce, O. and Goel, S. (2019). Fabrication of functionalised surfaces on Gum metal (Ti-30Nb) using micromachining . euspen’s 19th International Conference & Exhibition, Bilbao, ES, June 2019. Bilbao 03 - 07 Jun 2019 EUSPEN.
Suppressing the Use of Critical Raw Materials in Joining of AISI 304 Stainless Steel Using Activated Tungsten Inert Gas Welding
Balos, S., Dramicanin, M., Janjatovic, P., Zabunov, I., Pilic, B., Goel, S. and Szutkowska, M. (2019). Suppressing the Use of Critical Raw Materials in Joining of AISI 304 Stainless Steel Using Activated Tungsten Inert Gas Welding. Metals. 9 (11), p. 1187. https://doi.org/https://doi.org/10.3390/met9111187
The role of high-pressure coolant in the wear characteristics of WC-Co tools during the cutting of Ti–6Al–4V
Stolf, P., Paiva, J.M., Ahmed, Y.S., Endrina, J.L., Goel, S. and Veldhuis, S.C. (2019). The role of high-pressure coolant in the wear characteristics of WC-Co tools during the cutting of Ti–6Al–4V. Wear. 440-441, p. 203090. https://doi.org/10.1016/j.wear.2019.203090
Molecular dynamics simulation of the elliptical vibration assisted machining (EVAM) of pure iron
Goel S, Martinez FD, Chavoshi SZ, Khatri N and Giusca C (2018). Molecular dynamics simulation of the elliptical vibration assisted machining (EVAM) of pure iron. Journal of Micromanufacturing. 1 (1), pp. 6-19. https://doi.org/10.1177/2516598418765359
The possibility of performing FEA analysis of a contact loading process fed by the MD simulation data
Goel S, Iñigo Llavori AZ, Giusca C, Veldhuis SC and Endrino JL (2018). The possibility of performing FEA analysis of a contact loading process fed by the MD simulation data. International Journal of Machine Tools and Manufacture. 134, pp. 79-80. https://doi.org/10.1016/j.ijmachtools.2018.07.003
Preparation of nanocrystalline high-entropy alloys via cryomilling of cast ingots
Kumar, N., Tiwary, C. and Biswas, K. (2018). Preparation of nanocrystalline high-entropy alloys via cryomilling of cast ingots. Journal of Materials Science. 53 (19), pp. 13411-13423. https://doi.org/10.1007/s10853-018-2485-z
Effect of Al Addition on the Microstructural Evolution of Equiatomic CoCrFeMnNi Alloy
Kumar, J., Kumar, N., Das, S., Gurao, N. and Biswas, K. (2018). Effect of Al Addition on the Microstructural Evolution of Equiatomic CoCrFeMnNi Alloy. Transactions of the Indian Institute of Metals. 71 (11), pp. 2749-2758. https://doi.org/10.1007/s12666-018-1443-4
Incipient plasticity in tungsten during nanoindentation: Dependence on surface roughness, probe radius and crystal orientation
Beake B and Goel, S. (2018). Incipient plasticity in tungsten during nanoindentation: Dependence on surface roughness, probe radius and crystal orientation. International Journal of Refractory Metals and Hard Materials. 75, pp. 63-69. https://doi.org/https://doi.org/10.1016/j.ijrmhm.2018.03.020
Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten
Goel, S., Cross, G., Stukowski, A., Gamsjager, E., Beake, B. and Agrawal, A. (2018). Designing nanoindentation simulation studies by appropriate indenter choices: Case study on single crystal tungsten. Computational Materials Science. 152, pp. 196-210. https://doi.org/https://doi.org/10.1016/j.commatsci.2018.04.044
Low-Temperature CO Oxidation over Combustion Made Fe- and Cr-Doped Co3O4 Catalysts: Role of Dopant’s Nature toward Achieving Superior Catalytic Activity and Stability
Baidya, T., Murayama, P., Bera, P., Safonova, O.V., Steiger, P., Kumar, N., Biswas, K. and Haruta, M. (2017). Low-Temperature CO Oxidation over Combustion Made Fe- and Cr-Doped Co3O4 Catalysts: Role of Dopant’s Nature toward Achieving Superior Catalytic Activity and Stability. The Journal of Physical Chemistry C. 121 (28), p. 15256–15265. https://doi.org/10.1021/acs.jpcc.7b04348
Current trends and future of sequential micro-machining processes on a single machine tool
Chavoshi, S.Z., Goel, S. and Morantz, P. (2017). Current trends and future of sequential micro-machining processes on a single machine tool. Materials & Design. 127, pp. 37-53. https://doi.org/10.1016/j.matdes.2017.04.057
Cyclic nanoindentation and nano-impact fatigue mechanisms of functionally graded TiN/TiNi film
Faisal NH, Prathuru AK, Goel S, Ahmed R, Droubi MG, Beake BD and Fu YQ (2017). Cyclic nanoindentation and nano-impact fatigue mechanisms of functionally graded TiN/TiNi film. Shape Memory and Superelasticity. 3, pp. 149-167. https://doi.org/10.1007/s40830-017-0099-y
Addressing the discrepancy of finding equilibrium melting point of silicon using MD simulations
Chavoshi SZ, Xu S and Goel S (2017). Addressing the discrepancy of finding equilibrium melting point of silicon using MD simulations. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. https://doi.org/10.1098/rspa.2017.0084
Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation
Chavoshi, S.Z., Goel, S. and Luo, X. (2016). Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation. Journal of Manufacturing Processes. 23, pp. 201-210. https://doi.org/10.1016/j.jmapro.2016.06.009
Advances in the surface defect machining (SDM) of hard steels
Rashid, W.B. and Goel, S. (2016). Advances in the surface defect machining (SDM) of hard steels. Journal of Manufacturing Processes. 23, pp. 37-46. https://doi.org/10.1016/j.jmapro.2016.05.007
Influence of microstructure on the cutting behaviour of silicon
Goel, S., Kovalchenko, A., Stukowski, A. and Cross, G. (2016). Influence of microstructure on the cutting behaviour of silicon. Acta Materialia. 105, pp. 464-478. https://doi.org/10.1016/j.actamat.2015.11.046
Green synthesis of Ag nanoparticles in large quantity by cryomilling
Kumar, N., Biswas, K. and Gupta, R. K. (2016). Green synthesis of Ag nanoparticles in large quantity by cryomilling. RSC Advances. 6 (112), pp. 111380-111388. https://doi.org/10.1039/c6ra23120a