Publications

Books Published

Book chapter:

1) Rahul M R, "Introduction to Materials Informatics", for Springer Book "Materials Informatics: Applications of Cheminformatics and Machine Learning in Novel Materials Design", Challenges and Advances in Computational Chemistry and Physics, ISBN: 978-3-031-78735-5, 2025

List Of Research Publications (only in Peer-reviewed Journals)

Number of peer-reviewed international publications: 42

2024

Shit Sarita, M Agilan, M R Rahul*, Gandham Phanikumar, Integrated macro-micro scale and physical simulation framework for optimising electron beam welds of Ni-based superalloy, Materials Characterization, 221 (2024), 114699, https://doi.org/10.1016/j.matchar.2024.114699, (Q1, Impact factor: 4.8)
Manish Kumar Singh, B. Nithin, Kesavan Ravi, M.R. Rahul*, Simulation-guided design of novel precipitation-strengthened eutectic high entropy alloy, Intermetallics 175 (2024), 108501, https://doi.org/10.1016/j.intermet.2024.108501, (Q1, Impact factor: 4.4)
Saswati Swateelagna, Manish Singh, M.R. Rahul*, Explainable Machine Learning based approach for the design of new refractory high entropy alloys, Intermetallics 167 (2024), 108198, https://doi.org/10.1016/j.intermet.2024.108198, (Q1, Impact factor: 4.4)
L Naveen, Umre Priyanka, Chakraborty Poulami, M.R. Rahul, Samal Sumanta, Raghvendra Tewari, Development of single-phase BCC refractory high entropy alloys using machine learning techniques, Computational Materials Science, 238 (2024), 112917, https://doi.org/10.1016/j.commatsci.2024.112917, (Q2, Impact factor: 3.3)
Vivek Sharma, Rahul M R, Ashis Mallick, Microstructural, mechanical, and tribological behaviors of Cu40Fe30Mn20Cr5Ti5 high entropy alloy via powder metallurgy route, Materials Today Communications, 38 (2024), 108313, https://doi.org/10.1016/j.mtcomm.2024.108313, (Q2, Impact factor: 3.8)

2023

Surya Prakash Mishra, M R Rahul*, A detailed study of convolutional neural networks for the identification of microstructure, Materials Chemistry and Physics, 308 (2023), 128275, https://doi.org/10.1016/j.matchemphys.2023.128275, (Q2, Impact factor: 4.6)
Shambhu Kushwaha, M Agilan, Rahul M R*, Gandham Phanikumar, Study of TIG weld microstructure formation in Inconel 718 alloy using ICME approach, Integrating Materials and Manufacturing Innovation, (2023), https://doi.org/10.1007/s40192-023-00317-3, (Q2, Impact factor: 3.3)
Piyush Kumar, M R Rahul, Sumanta Samal, Abhijit Ghosh, Gandham Phanikumar, Constitutive Behavior With Microstructure and Texture Evolution During the High-Temperature Deformation of Fe11.5Co20.6Ni40.7Cr12.2Al7.8Ti7.2 High-Entropy Alloy, Metallurgical and Materials Transactions A, 54 (2023), 3249–3260, https://doi.org/10.1007/s11661-023-07093-x, (Q1, Impact factor: 2.8)
Reliance Jain, M R Rahul, Poulami Chakraborty, Rama Krushna Sabat, Sumanta Samal, Nokeun Park, Gandham Phanikumar, Raghvendra Tewari, Integrated experimental and modeling approach for hot deformation behavior of Co-Cr-Fe-Ni-V High Entropy Alloy, Journal of Materials Research and Technology, 25(2023), 840-854, https://doi.org/10.1016/j.jmrt.2023.05.257, (Q1, Impact factor: 6.4)
A Bansal, P Kumar, S Yadav, VS Hariharan, M R Rahul*, G Phanikumar, Accelerated design of high entropy alloys by integrating high throughput calculation and machine learning, Journal of Alloys and Compounds, 960 (2023), 170543, https://doi.org/10.1016/j.jallcom.2023.170543, (Q1, Impact factor: 6.2)
K Saphal, P Hrutidipan, S Naishalkumar, M R Rahul*, G Phanikumar, Machine learning enabled processing map generation for high-entropy alloy, Scripta Materialia, 234 (2023), 115543, https://doi.org/10.1016/j.scriptamat.2023.115543, (Q1, Impact factor: 6)
P Kumar, R Jain, M R Rahul, A Ghosh, S Samal, G Phanikumar, High Temperature Deformation Behavior and Processing Maps of FeCoNiCrAlTi Dual Phase High Entropy Alloy, Metals and Materials International, (2023), https://doi.org/10.1007/s12540-023-01399-6, (Q1, Impact factor: 3.5)

2022

AS Bundela, M R Rahul*, Application of Machine Learning Algorithms With and Without Principal Component Analysis for the Design of New Multiphase High Entropy Alloys, Metallurgical and Materials Transactions A, 53 (2022), 3512–3519, https://doi.org/10.1007/s11661-022-06764-5, (Q1, Impact factor: 2.8)
AS Bundela, M R Rahul*, Machine learning-enabled framework for the prediction of mechanical properties in new high entropy alloys, Journal of alloys and compounds, 908 (2022) 164578, https://doi.org/10.1016/j.jallcom.2022.164578, (Q1, Impact factor: 6.2)
VS Goud, Rahul M R*, G Phanikumar, Prediction of growth velocity of undercooled multicomponent metallic alloys using a machine learning approach, Scripta Materialia, 207 (2022), 114309, https://doi.org/10.1016/j.scriptamat.2021.114309, (Q1, Impact factor: 6)
AK Sah, Agilan, M, S Dinesh raj, M R Rahul*, B Govind, Machine learning-enabled prediction of density and defects in additively manufactured Inconel 718 alloy, Materials Today Communications, 30 (2022), 103193, https://doi.org/10.1016/j.mtcomm.2022.103193, (Q2, Impact factor: 3.8)
M R Rahul*, M Agilan, D Mohan, G Phanikumar, Integrated experimental and simulation approach to establish the effect of elemental segregation in Inconel 718 welds, Materialia, 26 (2022), 101593, https://doi.org/10.1016/j.mtla.2022.101593, (Q2, Impact factor: 3.4)
S Naishalkumar, DJ Mathew, M R Rahul*, G Phanikumar, Microstructure prediction of eutectic high entropy alloy using physical and computer simulation for additive manufacturing condition, Journal of alloys and compounds, 929 (2022), 167268, https://doi.org/10.1016/j.jallcom.2022.167268, (Q1, Impact factor: 6.2)

2021

Yegi Vamsi Krishna, Ujjawal Kumar Jaiswal, Rahul M R*, Machine learning approach to predict new multiphase high entropy alloys, Scripta Materialia, 197 (2021), 113804, https://doi.org/10.1016/j.scriptamat.2021.113804, (Q1, Impact factor: 6)
Ujjawal Kumar Jaiswal, Yegi Vamsi Krishna, Rahul M R*, Gandham Phanikumar, Machine learning-enabled identification of new medium to high entropy alloys with solid solution phases, Computational Materials Science,197 (2021), 110623, https://doi.org/10.1016/j.commatsci.2021.110623, (Q2, Impact factor: 3.3)
Surya Prakash Mishra and Rahul M R*, A comparative study and development of a novel deep learning architecture for accelerated identification of microstructure in material science, Computational Materials Science, 200 (2021), 110815, https://doi.org/10.1016/j.commatsci.2021.110815, (Q2, Impact factor: 3.3)
Naishalkumar Shah, Rahul M R*, Sandip Bysakh, Gandham Phanikumar, Microstructure stability during high-temperature deformation of CoCrFeNiTa eutectic high entropy alloy through nano-scale precipitation, Materials science and Engineering A, 824 (2021), 141793, https://doi.org/10.1016/j.msea.2021.141793, (Q1, Impact factor: 6.4)
Naishalkumar Shah, Rahul M R* and Gandham Phanikumar, Accelerated design of eutectic high entropy alloy by ICME approach, Metallurgical and Materials Transactions A, (2021), 52 (5), 1574-1580, https://doi.org/10.1007/s11661-021-06218-4, (Q1, Impact factor: 2.8)
Reliance Jain, Rahul M R, Poulami Chakraborty, Rama Krushna Sabat, Sumanta Samal, Gandham Phanikumar, Raghvendra Tewari, Design and deformation characteristics of single-phase Co-Cr-Fe-Ni-V high entropy alloy, Journal of Alloys and Compounds, 888 (2021), 161579, https://doi.org/10.1016/j.jallcom.2021.161579, (Q1, Impact factor: 6.2)

2015-2020 (From IIT Madras)

Rahul M R, G. Phanikumar, Solidification behaviour of undercooled equiatomic FeCuNi alloy, Journal of Alloys and Compounds, 815 (2020) 152334, https://doi.org/10.1016/j.jallcom.2019.152334, (Q1, Impact factor: 6.2)
Rahul M R, G Phanikumar, Growth kinetics, microhardness and microstructure evolution of undercooled FeCoNiCuSn high entropy alloy, Material science and Engineering A, 777 (2020) 139022, https://doi.org/10.1016/j.msea.2020.139022, (Q1, Impact factor: 6.4)
Rahul M R, Sumanta Samal, A. Marshal, V I Nithin Balaji, K. G. Pradeep, Gandham Phanikumar, Nano-sized Cu clusters in deeply undercooled CoCuFeNiTa high entropy alloy, Scripta Materialia, 177 (2020), 58-64, https://doi.org/10.1016/j.scriptamat.2019.10.006, (Q1, Impact factor: 6)
Rajeev G.P., Rahul. M. R., Kamaraj M., Srinivasa Rao Bakshi, Microstructure and high-temperature mechanical properties of wire arc additively deposited Stellite 6 alloy using cold metal transfer process, Materialia, 12 (2020) 100724, https://doi.org/10.1016/j.mtla.2020.100724, (Q2, Impact factor: 3.4)
Reliance Jain, Avi Jain, Rahul M R, Ashok Kumar, Mrigendra Dubey, Rama Krushna Sabat, Sumanta Samal, Gandham Phanikumar, Development of ultrahigh strength novel Co-Cr-Fe-Ni-Zr quasi-peritectic high entropy alloy by an integrated approach using experiment and simulation, Materialia, 2020, 100896, https://doi.org/10.1016/j.mtla.2020.100896, (Q2, Impact factor: 3.4)
Jinu Kurian, Rahul M R, J. Arout Chelvane, A. V. Morozkin, A. K. Nigam, Gandham Phanikumar and R. Nirmala, Enhanced Magnetocaloric effect in Undercooled Rare earth intermetallic compounds RNi (R = Gd, Ho and Er), Journal of Magnetism and Magnetic Materials, 499 (2020) 166302, https://doi.org/10.1016/j.jmmm.2019.166302, (Q2, Impact factor: 2.7)
Rahul M R, Sumanta Samal, Gandham Phanikumar, Metastable microstructures in the solidification of undercooled high entropy alloys, Journal of Alloys and Compounds, 821 (2020), 153488, https://doi.org/10.1016/j.jallcom.2019.153488, (Q1, Impact factor: 6.2)
Reliance Jain, Rahul M R, Sumanta Samal, Vinod Kumar, Gandham Phanikumar, Hot workability of Co-Fe-Mn-Ni-Ti eutectic high entropy alloys, Journal of Alloys and Compounds, 822 (2020), 153609, https://doi.org/10.1016/j.jallcom.2019.153609, (Q1, Impact factor: 6.2)
Rahul M R, G. Phanikumar, Design of a Seven-Component Eutectic High-Entropy Alloy, Metallurgical and Materials Transactions A, 50 (2019), 2594-2598, https://doi.org/10.1007/s11661-019-05210-3, (Q1, Impact factor: 2.8)
Rahul M R, S. Samal, G. Phanikumar, Effect of niobium addition in FeCoNiCuNbx high-entropy alloys, Journal of Materials Research, 34 (2019), 700–708. https://doi.org/10.1557/jmr.2019.36, (Q3, Impact factor: 3)
Rahul M R, S. Samal, G. Phanikumar, Hot Deformation Behavior and Microstructural Characterization of CoCrFeNiNb_0.45 Eutectic High Entropy Alloy, Materials Performance and Characterization, 8 (2019) 1062-1075, DOI: 10.1520/MPC20190014, (Q4, Impact factor: 1.1)
Rahul M R, G Phanikumar, Experimental and simulation studies of solidification behaviour in undercooled CuCoNi equiatomic medium entropy alloy, European Physical Journal (EPJ- Special Topics), 229 (2020) 145-155, https://doi.org/10.1140/epjst/e2019-900111-5, (Q2, Impact factor: 2.8)
R. Sonkusare, A. Swain, Rahul M R, S. Samal, N.P. Gurao, K. Biswas, et al., Establishing processing-microstructure-property paradigm in complex concentrated equiatomic CoCuFeMnNi alloy, Materials Science and Engineering A, 759 (2019), 415-429, https://doi.org/10.1016/j.msea.2019.04.096, (Q1, Impact factor: 6.4)
Rahul M R, S. Samal, S. Venugopal, G. Phanikumar, Experimental and finite element simulation studies on hot deformation behaviour of AlCoCrFeNi_2.1 eutectic high entropy alloy, Journal of Alloys and Compounds, 749 (2018), 1115–1127, https://doi.org/10.1016/j.jallcom.2018.03.262, (Q1, Impact factor: 6.2)
R. Jain, Rahul M R, S. Jain, S. Samal, V. Kumar, Phase Evolution and Mechanical Behaviour of Co–Fe–Mn–Ni–Ti Eutectic High Entropy Alloys, Transactions of the Indian Institute of Metals, 71 (2018) 2795–2799, https://doi.org/10.1007/s12666-018-1437-2, (Q2, Impact factor: 1.6)
S. Jain, R. Jain, Rahul M R, S. Samal, V. Kumar, Phase Equilibria and Mechanical Properties in Multicomponent Al–Ni–X (X = Fe, Cr) Alloys, Transactions of the Indian Institute of Metals, 71 (2018) 2819–2825, https://doi.org/10.1007/s12666-018-1420-y, (Q2, Impact factor: 1.6)
Sumanta Samal, Rahul M R, Ravi Sankar Kottada and Gandham Phanikumar., Hot deformation behaviour and processing map of Co-Cu-Fe-Ni-Ti eutectic high entropy alloy, Materials Science and Engineering A, 664 (2016), 227-235, https://doi.org/10.1016/j.msea.2016.04.006, (Q1, Impact factor: 6.4)
Rahul M R and Phanikumar, G., Correlation of Microstructure With HAZ Welding Cycles Simulated in Ti-15-3 Alloy Using Gleeble® 3800 and SYSWELD®, Materials Performance and Characterization, 4 (2015), 381-398, doi:10.1520/MPC20140065, (Q4, Impact factor: 1.1)

Papers in conference abstract volumes / presented

Number of Invited talks given (from IIT (ISM) Dhanbad): 15
Number of peer-reviewed conference papers published: 3
Number of papers presented in conferences: >35

Invited talks

Delivered invited talk: "ICME and Microstructure Informatics framework for the alloy design" at the International Conference on Materials for Energy, Environment, and Healthcare, December 20th and 21st, 2024, at the Department of Materials Science and Engineering, National Institute of Technology Calicut.
Delivered invited talk on “ ICME framework for the design and development of new materials”, at the Five-Day Workshop on “Computational Materials Engineering” organized by MNIT Jaipur on 22 - 27 January 2024.
Delivered invited talk on “ICME and physical simulation approach for manufacturing process optimisation”, at the Five-Day Workshop on “Computational Materials Engineering”, organized by MNIT Jaipur on 22 - 27 January 2024.
Delivered invited talk on “Microstructure simulation using phase field method” at the Five-Day Workshop on “Computational Materials Engineering” organized by MNIT Jaipur on 22 - 27 January 2024.
Delivered invited talk on “Machine learning enabled phase prediction in HEAs” at the Five-Day Workshop on “Computational Materials Engineering”, organized by MNIT Jaipur on 22 - 27 January 2024.
Delivered invited talk on “ML-based alloy design and development”, at the workshop on AI &ML applications with Thermo-Calc software, organized by Thermo-Calc on 26^th January 2024.
Delivered invited talk on “ICME + Machine Learning based framework for understanding solidification behaviour of high entropy alloys”, at the International Conference on Solidification Science and Processing (ICSSP 2023), organized by IIT Jodhpur and IIT Hyderabad on December 11‐14, 2023.
Delivered invited talk on “ICME and machine learning framework for the design and development of materials” at the five-day Winter School on ICME at IIT Gandhinagar on December 8^th, 2022.
Given invited training on “Microstructure simulation by integrating Thermo-Calc and Micress” on five day Winter School on ICME at IIT Gandhinagar on December 8^th, 2022.
Delivered invited talk on “ICME and machine learning framework for the design and development of new materials” in the workshop on “Computational Techniques in Metallurgical and Materials Engineering (CTiMME-2022)” Organized by: Department of Metallurgical & Materials Engineering, NIT Srinagar, 17-21 October 2022.
Delivered invited talk on “ICME and physical simulation approach for manufacturing process optimization” in the workshop on “Computational Techniques in Metallurgical and Materials Engineering (CTiMME-2022)” Organized by: Department of Metallurgical & Materials Engineering, NIT Srinagar, 17-21 October 2022.
Given training on “Microstructure simulation during welding and casting processes” in the workshop on “Computational Techniques in Metallurgical and Materials Engineering (CTiMME-2022)” Organized by: Department of Metallurgical & Materials Engineering, NIT Srinagar, 17-21 October 2022.
Gandham Phanikumar, Dasari Mohan, M R Rahul, V.S. Hariharan, “High Performance Computing for Microstructure prediction via Process Parametric Space”, NMD ATM 2022
Delivered an invited talk on the topic "Materials Characterization using Thermo-mechanical simulator" on the STC (QIP) on "Materials Characterization Techniques", 22-27 March 2021, conducted by Dept. of MEMS, IIT Indore
Delivered a talk on the topic "Accelerated design of materials using ICME and Machine Learning" conducted by the Department of Fuel Minerals and Metallurgical Engineering (27-28 February 2021), sponsored by TEQIP III, IIT (ISM) Dhanbad
Delivered an invited talk on the topic "Design and development of multicomponent alloys using ICME and ML framework" conducted by BARC to initiate collaborative work on HEA design and development. Date (17/07/2021)
Delivered an invited talk on the topic "Welding and additive manufacturing studies of Advanced material using experimental and simulation methods" on the STC of "Advanced Materials for structural applications" conducted by the Department of Metallurgy Engineering and Materials Science, IIT Indore. Date: 29 /09/ 2020 to 04/10/2020.

Recent peer-reviewed conference article published

Garima Jain, Avadhut Sardeshmukh, Gerald Tennyson, Shalini Koneru, Rahul M R, Microstructure modeling of deformed alloys using contrastive conditional generative adversarial networks, AI for Accelerated Materials Design-NeurIPS 2024, Vienna, Austria, https://openreview.net/forum?id=y8m3cuHpSr, (Collaborative work between IIT (ISM) Dhanbad and TRDDC, TCS, Pune)

Sl No	Student name	Thesis title	Year	Publication/Remark
1	Rahul Kumar	Simulation-guided grain refinement studies on as-cast multicomponent alloys	2022	Article under review
2	Shambhu Kushwaha	Welding simulation and validation of materials used in advanced ultra-supercritical (AUSC) power plants	2022	https://doi.org/10.1007/s40192-023-00317-3 (Q2 journal)
3	Sarita Shit	Thermal field simulation of electron beam welding of Ni-based superalloys	2023	https://doi.org/10.1016/j.matchar.2024.114699 (Q1 journal)
4	Saswati Swateelagna	Design and development of refractory high entropy alloys by using an integrated framework of machine learning and experiments	2023	https://doi.org/10.1016/j.intermet.2024.108198 (Q1 journal)
5	Navneet Mishra	Technology development to develop advanced materials using coal tailings	2024

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Prof.Rahul M R

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