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RESEARCH PAPER · Results in Materials · 2023

Data science and material informatics in physical metallurgy and material science: An overview of milestones and limitations

Desmond Edem Primus Klenam, Tabiri Kwayie Asumadu, Mobin Vandadi, Nima Rahbar, Fred McBagonluri, Winston Oluwole Soboyejo

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Data science and material informatics in physical metallurgy and material science: An overview of milestones and limitationsOriginalComputational and Data-Driven Materials Engineering: Multimodal Materials Datasets, Integration Frameworks, and Discovery Potential0Temporal Generalization in Materials AI — What We Know About Model Aging and Drift0Corrosion resistant materials in high-pressure high-temperature oil wells: An overview and potential application of complex concentrated alloys46Sigma Phase Stabilization by Nb Doping in a New High-Entropy Alloy in the FeCrMnNiCu System: A Study of Phase Prediction and Nanomechanical Response7Effect of aspect ratio on the metal flow behaviour during forming process: A numerical simulation approach1An Explainable Deep Learning Model Based on Multi-scale Microstructure Information for Establishing Composition–Microstructure–Property Relationship of Aluminum Alloys11Machine-learning synergy in high-entropy alloys: A review43Advanced computational techniques: Bridging metaheuristic optimization and deep learning for material design through image enhancement9Application of artificial neural networks in predicting and optimising electroplating parameters: A systematic review0Comprehensive investigation of the structural, mechanical, optical, and thermoelectric properties and photovoltaic performance of lead-free novel Li 2 PdCl 6 and Na 2 PdCl 6 using DFT and SCAPS-1D simulations14Hot Deformation of AISI 4340 Steel From a Dynamic Material Modeling Perspective0Machine learning approaches to natural fiber composites: A review of methodologies and applications20Research on multi-source microstructure image recognition of foam ceramics using convolutional network combine with frequency domain5An innovative data-driven approach to the design and optimization of battery recycling processes12145Chapter 6 Future trends and research challenges in smart alloys2Superlubricity enabled by graphene nanocomposite film on carbon-coated AISI 1045 steel0Tribological properties of hydroxyapatite-coated nanorods on Ti-6Al-4V surfaces12Artificial intelligence and machine learning-driven design of self-healing biomedical composites18Role of compositionally complex and high entropy alloys for hydrogen storage: A bibliometric and mechanistic assessment16Artificial Intelligence in Chemistry: A Transformative Review1Artificial intelligence in materials science and engineering: Current landscape, key challenges, and future trajectories33Machine learning-driven materials discovery: Unlocking next-generation functional materials – A review50Early-stage mechanistic insights into vanadium-induced hot corrosion of yttria-stabilized zirconia thermal barrier coatings2Multiscale modeling approach for alloy design: Application to aluminium alloys with a focus on formability1Artificial intelligence in the development of structural and functional materials: A transformative frontier and complementary enabler of the rational alloy design framework10Progress in Integrated Die-Casting Technology for Aluminum Alloys3Prediction of mechanical properties in 3D printed re-entrant honeycomb using 3D CNN0Mechanistic advances in reinforcement interface and processing synergies and translation barriers in titanium matrix composites12026 Roadmap on compositionally complex and high entropy materials for energy applications5An Integrated NLP‐ML Framework for Property Prediction and Design of Steels0Machine Learning Guided Design of Doped Lithium Lanthanum Zirconium Oxide ( LLZO ) for Improved Performance0Comparative assessment of dilute alloys and complex concentrated alloys: Design principles, processing, mechanisms, properties, and sustainability0

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  1. Computational and Data-Driven Materials Engineering: Multimodal Materials Datasets, Integration Frameworks, and Discovery Potential

    Journal of Computational and Data-Driven Materials Engineering · 2023-01-01

    Maria Gonzalez, Javier Ruiz, Lucia Torres

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  2. Temporal Generalization in Materials AI — What We Know About Model Aging and Drift

    Journal of Artificial Intelligence for Materials Science · 2023-01-01

    Ravi Menon, Arjun Nair, Meera Pillai, Suresh Varma

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  3. Corrosion resistant materials in high-pressure high-temperature oil wells: An overview and potential application of complex concentrated alloys

    Engineering Failure Analysis · 2024-01-05

    Desmond Edem Primus Klenam, Fred McBagonluri, Olufemi Sylvester Bamisaye, Tabiri Kwayie Asumadu, Nestor K. Ankah, Michael Oluwatosin Bodunrin, Anthony Andrews, Winston Oluwole Soboyejo

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  4. Sigma Phase Stabilization by Nb Doping in a New High-Entropy Alloy in the FeCrMnNiCu System: A Study of Phase Prediction and Nanomechanical Response

    Metals · 2024-01-08

    Ángelo Oñate, Juan Pablo Sanhueza, Gleydis Dueña, Diego Wackerling, Sergio Sauceda, Christopher Salvo, Marian Valenzuela, Carlos Medina, Abdul Herrim Seidou, Jérôme Tchoufack Tchuindjang, Manuel Francisco Melendrez, David Rojas, Anne Mertens, Víctor Tuninetti

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  5. Effect of aspect ratio on the metal flow behaviour during forming process: A numerical simulation approach

    Scientific African · 2024-05-27

    Japheth Oirere Obiko, Brendon Shongwe, Nicholas Malatji, Michael Oluwatosin Bodunrin, Desmond Edem Primus Klenam

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  6. An Explainable Deep Learning Model Based on Multi-scale Microstructure Information for Establishing Composition–Microstructure–Property Relationship of Aluminum Alloys

    Integrating materials and manufacturing innovation · 2024-08-12

    Jiale Ma, Wenchao Zhang, Zhiqiang Han, Qingyan Xu, Haidong Zhao

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  7. Machine-learning synergy in high-entropy alloys: A review

    Journal of Materials Research and Technology · 2024-10-09

    Sally Elkatatny, Walaa Abd‐Elaziem, Tamer Ali Sebaey, Moustafa A. Darwish, Atef Saad Hamada

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  8. Advanced computational techniques: Bridging metaheuristic optimization and deep learning for material design through image enhancement

    Elsevier eBooks · 2025-01-01

    Jagrati Talreja, Divya Chauhan

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  9. Application of artificial neural networks in predicting and optimising electroplating parameters: A systematic review

    MATEC Web of Conferences · 2025-01-01

    Nomalungelo Maphanga, Desmond Edem Primus Klenam, Michael Oluwatosin Bodunrin, Ramogohlo Diale, Joseph S. Moema

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  10. Comprehensive investigation of the structural, mechanical, optical, and thermoelectric properties and photovoltaic performance of lead-free novel Li 2 PdCl 6 and Na 2 PdCl 6 using DFT and SCAPS-1D simulations

    New Journal of Chemistry · 2025-01-01

    Md. Sakib Hasan Saikot, Rifat Rafiu, Imed Boukris, Md. Azizur Rahman, Imtiaz Ahamed Apon, Nur Mohammad Riyad Kawsar, Mohd Taukeer Khan, Hanane Etabti, Jothi Ramalingam Rajabathar, Hind Mohammed Albalawi

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  11. Hot Deformation of AISI 4340 Steel From a Dynamic Material Modeling Perspective

    Advances in Materials Science and Engineering · 2025-01-01

    Japheth Oirere Obiko, Mxolisi Brendon Shongwe, Nicholus Malatji, Tawanda Marazani, Michael Oluwatosin Bodunrin, Desmond Edem Primus Klenam

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  12. Machine learning approaches to natural fiber composites: A review of methodologies and applications

    BioResources · 2025-01-03

    Sivasubramanian Palanisamy, Nadir Ayrılmış, Kumar Sureshkumar, Carlo Santulli, Tabrej Khan, Harri Junaedi, Tamer Ali Sebaey

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  13. Research on multi-source microstructure image recognition of foam ceramics using convolutional network combine with frequency domain

    Scientific Reports · 2025-01-24

    Yi Yin, Jianwei Pan, Fang Wang, Peihang Li, Zhen Hua Cai, Xin Xu

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  14. An innovative data-driven approach to the design and optimization of battery recycling processes

    Chemical Engineering Journal · 2025-03-14

    Nima Emami, Luis Arturo Gomez-Moreno, Anna Klemettinen, Rodrigo Serna-Guerrero, Milica Todorović

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  15. 145Chapter 6 Future trends and research challenges in smart alloys

    De Gruyter eBooks · 2025-04-02

    Shrikant Verma, Sangita Gupta, Sunita Kumari

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  16. Superlubricity enabled by graphene nanocomposite film on carbon-coated AISI 1045 steel

    Materials & Design · 2025-04-08

    Tabiri Kwayie Asumadu, Mobin Vandadi, Desmond Edem Primus Klenam, Kwadwo Mensah‐Darkwa, Kwadwo Adinkrah-Appiah, Emmanuel Gikunoo, Nima Rahbar, Samuel Kwofie, Winston Oluwole Soboyejo

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  17. Tribological properties of hydroxyapatite-coated nanorods on Ti-6Al-4V surfaces

    Scientific Reports · 2025-05-31

    Sarah Akua Osafo, Tabiri Kwayie Asumadu, Desmond Edem Primus Klenam, Precious Osayamen Etinosa, John David Obayemi, Benjamin Agyei‐Tuffour, Abu Yaya, David Dodoo‐Arhin, Stanley Chijioke Eluu, Winston Oluwole Soboyejo

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  18. Artificial intelligence and machine learning-driven design of self-healing biomedical composites

    Expert Review of Medical Devices · 2025-06-16

    Senthil Maharaj Kennedy, Kannan Amudhan, Padmapriya K, R. Robert

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  19. Role of compositionally complex and high entropy alloys for hydrogen storage: A bibliometric and mechanistic assessment

    Renewable and Sustainable Energy Reviews · 2025-06-16

    Bongani Seeke Ramatsoma, Mamookho Elizabeth Makhatha, Desmond Edem Primus Klenam, Michael Oluwatosin Bodunrin

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  20. Artificial Intelligence in Chemistry: A Transformative Review

    Journal for Research in Applied Sciences and Biotechnology · 2025-06-30

    Suryanarayana Kumar Yadav, Parinita Tripathy, Sanyogita Shahi

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  21. Artificial intelligence in materials science and engineering: Current landscape, key challenges, and future trajectories

    Composite Structures · 2025-07-05

    Iman Peivaste, Salim Belouettar, Francesco Mercuri, Nicholas Fantuzzi, Hamidreza Dehghani, Razie Izadi, Halliru Ibrahim, Jakub Lengiewicz, Mael Belouettar-Mathis, Kouider Bendine, Ahmed Makradi, Martin Horsch, Peter Klein, M. Hachemi, Heinz A. Preisig, Yacine Rezgui, Natalia Konchakova, Ali Daouadji

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  22. Machine learning-driven materials discovery: Unlocking next-generation functional materials – A review

    Computational Condensed Matter · 2025-09-17

    Dilshod Nematov, Mirabbos Hojamberdiev

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  23. Early-stage mechanistic insights into vanadium-induced hot corrosion of yttria-stabilized zirconia thermal barrier coatings

    Progress in Engineering Science · 2025-10-09

    Nestor K. Ankah, Zuhair M. Gasem, Tabiri Kwayie Asumadu, Michael Oluwatosin Bodunrin, Desmond Edem Primus Klenam, Winston Oluwole Soboyejo

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  24. Multiscale modeling approach for alloy design: Application to aluminium alloys with a focus on formability

    Solid State Communications · 2025-10-23

    Akash Gupta, Sumit K. Maurya, Surya Ardham, P. Srimannarayana, Gerald Tennyson

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  25. Artificial intelligence in the development of structural and functional materials: A transformative frontier and complementary enabler of the rational alloy design framework

    Next research. · 2025-12-01

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  26. Progress in Integrated Die-Casting Technology for Aluminum Alloys

    International Journal of Metalcasting · 2025-12-19

    Yisheng Miao, Zhongyao Li, Ye F. Tian, Qinghuai Hou, Shihao Wang, Junsheng Wang

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  27. Prediction of mechanical properties in 3D printed re-entrant honeycomb using 3D CNN

    MRS Advances · 2026-01-05

    José Alberto Hernández-Medina, Cynthia Graciela Flores‐Hernandez, Victor Alejandro Gonzalez-Huitron, Gerardo Antonio Fonseca-Hernández, Gabriela Pineda-Chacón, Juventino López‐Barroso

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  28. Mechanistic advances in reinforcement interface and processing synergies and translation barriers in titanium matrix composites

    Discover Materials · 2026-03-18

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  29. 2026 Roadmap on compositionally complex and high entropy materials for energy applications

    Journal of Physics Energy · 2026-03-26

    Albert Tarancón, Miriam Botros, Bhanu P. Gangwar, Krishanu Biswas, Simon Divilov, Hagen Eckert, Rico Friedrich, Arrigo Calzolari, Stefano Curtarolo A, Alfred Ludwig, Florian Strauss, Torsten Brezesinski, Ben Breitung, Maximilian Fichtner, Ren He, Andreu Cabot, Juliusz Dąbrowa, Jin-Tao Ren, Zhong‐Yong Yuan, Claudia Zlotea, Vitalie Stavila, Shuhuan Yang, Mingyuan Hu, Hai-Feng Li, Jiaqing He, Anke S. Ulrich, Maren Lepple

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  30. An Integrated NLP‐ML Framework for Property Prediction and Design of Steels

    Advanced Science · 2026-04-07

    Kiran Devraju, Adithya Umanath Rai, José Pedro Thomson, Marzie Ghorbani, Shujing Zhao, N. Birbilis

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  31. Machine Learning Guided Design of Doped Lithium Lanthanum Zirconium Oxide ( LLZO ) for Improved Performance

    Energy Storage · 2026-05-19

    Bernice Ngwi Abraham, Elvis Twumasi, Desmond Edem Primus Klenam, Tabiri Kwayie Asumadu, Abdulhakeem Bello, Vitalis Chioh Anye, N. A. Burnham, Rodica Neamtu, Winston Oluwole Soboyejo

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  32. Comparative assessment of dilute alloys and complex concentrated alloys: Design principles, processing, mechanisms, properties, and sustainability

    Journal of Alloys and Compounds Communications · 2026-07-18

    Desmond Edem Primus Klenam, Tabiri Kwayie Asumadu, Michael Oluwatosin Bodunrin, Winston Oluwole Soboyejo

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