Dr. Dhiraj K. Mahajan

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Associate Professor,
Department of Mechanical Engineering



Dr. Dhiraj K. Mahajan joined IIT Ropar as Assistant Professor in December 2013. Prior to this, he was a post-doctoral researcher at ICAMS (Interdisciplinary Centre for Advanced Materials Simulations), Ruhr University Bochum (Germany), which he joined after his Ph.D. from IIT Kanpur in the field of Solid Mechanics. He has a Bachelor's degree in Production Technology and a Master's degree in Advanced Manufacturing Processes.

His group at IIT Ropar is motivated to correlate microstructure, deformation/fracture mechanisms and manufacturing of materials ranging from reactor pressure vessel (RPV) steel to bioabsorbable polymers using ultramodern experimental and multiscale simulation techniques. Experimental techniques include fracture & fatigue studies using a servo-hydraulic fatigue machine, crack initiation & short fatigue crack studies using the tensile/fatigue stage under SEM, material characterization using EDX/EBSD as well as electrochemical methods for corrosion and hydrogen permeation studies. Simulation techniques, on the other hand, include molecular dynamics, crystal plasticity finite element method (CPFEM) and density functional theory (DFT) calculations.


Recently, the group has made considerable progress in understanding short fatigue crack behavior in RPV steel (SA 508 Gr 3. Cl. 1 low alloy steel) and Hydrogen Embrittlement mechanisms in API steels. The group is also involved (through the various sponsored projects) in developing indigenous high-pressure hydrogen storage technologies while putting continuous efforts in developing novel polymers for energy (PEM Fuel Cell Membranes) and biomedical (Stents) applications. The group is further interested in developing manufacturing processes protocol for hydrogen embrittlement resistant high-strength steels, Type-IV hydrogen storage cylinders, low-cost polyelectrolyte membranes for PEM Fuel Cells and bioabsorbable stents using micro-injection molding process to encourage mass production of these products within the country.



Work Experience:


May 2014-July 2014: Visiting Faculty, Interdisciplinary Centre for Advanced Materials Simulations (ICAMS), Ruhr University Bochum, Germany

January 2010 - December 2013: Post Doctoral Research Assistant at ICAMS (www.icams.de), Ruhr University Bochum, Germany. (Advisor: Prof. Alexander Hartmaier)

May 2007 - August 2007: Visiting Research Scientist at INSA Lyon, France (Advisor: Prof. Rafael Estevez)


Selected Publications


Journal Publications:


[16] A. Arora, H Singh and D. K. Mahajan, Towards the prediction of intergranular fatigue crack initiation in metals due to hydrogen, Materials Science and Engineering: A, 787, 1394882020

[15] R. Singh, V. Singh, A. Arora and D. K. Mahajan, In-situ investigations of hydrogen influenced crack initiation and propagation under tensile and low cycle fatigue loadings in RPV steel, Journal of Nuclear Materials, November 2019, 151912.; doi: 10.1016/j.jnucmat.2019.151912

[14] R. Kumar, and D. K. Mahajan, Hydrogen Distribution in Metallic Polycrystals with Deformation. Journal of the Mechanics and Physics of Solids, 135, February 2020, 103776.

doi: 10.1016/j.jmps.2019.103776

[13] R. Singh, and D. K. Mahajan, On the transition of fracture toughness in metallic materials with thickness: An atomistic viewpoint. Computational Materials Science, Jan 2020, 171, 109268.


[12] V. Singh, R. Singh, K. S. Arora and D. K. Mahajan, Hydrogen induced blister cracking and mechanical failure in X65 pipeline steels International Journal of Hydrogen Energy, 44(39), pp. 22039-22049, 2019.


[11] R. Singh, and D. K. Mahajan, Role of stress triaxiality on ductile versus brittle fracture in pre-cracked FCC single crystals: An atomistic study. Modelling and Simulation in Materials Science and Engineering, May 2019, 27, 055007.


[10] R. Singh, A. Singh, P. K. Singh, and D. K. Mahajan, Role of prior austenite grain boundaries in short fatigue crack growth in hydrogen charged RPV steel. International Journal of Pressure Vessels and Piping, 171(2019): 242-252, March 2019.


[9] H. Singh, J. S. Sidhu, D. K. Mahajan, and N. Singh, Carbon Quantum Dots and Rhodamine Based Ratiometric Fluorescent Complex for Recognition of Histidine in Aqueous System. Materials Chemistry Frontiers, 3 (2019), 476-483, January 2019.


[8] D. K. Mahajan, and A. Hartmaier. Mechanisms of crazing in glassy polymers revealed by molecular dynamics simulations. Physical Review E, 86(2): 021802, August 2012.


[7] S. Brinckmann, D. K. Mahajan, and A. Hartmaier. A scheme to combine molecular dynamics and dislocation dynamics. Modelling and Simulation in Materials Science and Engineering, 20(4): 045001, June 2012.


[6] D. K. Mahajan, R. Estevez, and S. Basu. Ageing and rejuvenation in glassy amorphous polymers. Journal of the Mechanics and Physics of Solids, 58(10): 1474-1488, October 2010.


[5] D. K. Mahajan, and S. Basu. On the simulation of uniaxial, compressive behaviour of amorphous, glassy polymers with Molecular Dynamics. International Journal Of Applied Mechanics, 2(3): 515–541, September 2010.


[4] D. K. Mahajan, B. Singh, and S. Basu. Void nucleation and disentanglement in glassy amorphous polymers. Physical Review E, 82(1): 011803, July 2010.


[3] D. K. Mahajan, and S. Basu. Investigations into the applicability of rubber elastic analogy to hardening in glassy polymers. Modelling and Simulation in Materials Science and Engineering, 18(2): 025001, March 2010.


[2] M. K. Majumder, S. Ramkumar, D. K. Mahajan, and S. Basu. Coarse-graining scheme for simulating uniaxial stress-strain response of glassy poly mers through molecular dynamics. Physical Review E, 81(1): 011803, January 2010.


[1] S. Basu, D. K. Mahajan, and E. Van Der Giessen. Micromechanics of the growth of a craze fibril in glassy polymers. Polymer, 46(18): 7504–7518, August 2005.



Book Chapter:

[1] R. Singh, and D. K. Mahajan, Crystal orientation effect on SIF in single crystals: A study based on coupled framework of XFEM and crystal plasticity model. Lecture Notes in Mechanical Engineering, 9789811060014  , (2018), pp. 457-471



Conference Publications:

[10] R. Singh, A. Singh, P. K. Singh, and D. K. Mahajan, Effect of hydrogen on short crack propagation in SA508 Grade 3 Class I low alloy steel under cyclic loading. Procedia Structural Integrity, Volume 14, 2019, Pages 930- 936 doi:10.1016/j.prostr.2019.07.073 

[9] A. Arora, R. Kumar and D. K. Mahajan, In-situ Study of the Effect of Hydrogen on Fatigue Crack Initiation in Polycrystalline Nickel. Procedia Structural Integrity, Volume 14, 2019, Pages 790-797


[8] R. Kumar, D. Meena and D. K. Mahajan, Modelling of Fatigue Crack Initiation in Hydrogen Charged Polycrystalline Nickel. Procedia Structural Integrity 14 (2019) 6686752


[7] R. Singh, A. Singh, A. Arora, P. K. Singh, and D. K. Mahajan, On the transition of short cracks into long fatigue cracks in reactor pressure vessel steels. MATEC Web of Conferences 165 (2018) 13001 doi:10.1051/matecconf/201816513001 

[6] V. Singh, R. Singh, A. Singh, and D. K. Mahajan, Tracking hydrogen embrittlement using short fatigue crack behavior of metals. Procedia Structural Integrity 13 (2018) 14271432


[5] V. Singh, and D. K. Mahajan, Synergetic effect of hydrogen embrittlement and sensitization on short fatigue crack behavior in AISI 316L steel. In: Proceedings of Corcon 2018, 30th Sep-3rd Oct 2018, Jaipur, India.

[4] D. K. Mahajan, R. Swarnkar, Y. Singh, R. Singh, K. S. Arora, M. Shome, and G. Singh, Study of Hydrogen Embrittlement of API X65 & X80 Pipeline Steels using Short Fatigue Cracks. In: Proceedings of Corcon 2017, Paper No. CMT25, 17-20 September, Mumbai, India.

[3] D. K. Mahajan, Crystal Plasticity based Modeling of Fatigue Behaviour of Metals under Hydrogen Environment. In: Proceeding of Multiscale Modeling of Materials and Devices (MMMD-2014), October 2014, BARC, Mumbai, India.

[2] D. K. Mahajan, and S. Basu. Parametric study of strain hardening behavior of glassy polymers using molecular simulations. In: Proceedings of the 22nd ICTAM-2008, August 2008, Adelaide, Australia.

[1] D. K. Mahajan, and S. Basu. Characterization of deformation behaviour of glassy polymers using molecular dynamics simulations. In: Proceedings of the 2 nd ICCMS-2006, December 2006, IIT Guwahati, India.





Title of the project

Sponsoring Agency



































































Development of Compressed Hydrogen-Fuel Cell Integrated System Suitable for Light-Duty Vehicles, Role: Co-PI


Additive Manufacturing & Machine Learning based Development of Indigenous Hydrogen Fuel Cell Stack, Role: PI


Biodegradable Polymeric Stents: From Synthesis of Functionalized Raw Material to its Fabrication using Micro-Injection Moulding Process, Role: PI


Development of an Effluent Treatment Plant for Handtool Industry, Role: PI


Design, development, and demonstration of indigenous hydrogen storage and fuel cell system for mobile and stationary applications of 5 kW capacity, Role: Co-PI


Study of the Effect of Microstructure on Fatigue Crack Initiation in Nickel under Hydrogen Environment using Coupled Framework of Crystal Plasticity & Hydrogen Transport Model, Role: PI


IIT Ropar as National Resource Centre for Manufacturing (Developed 20 hours MOOC Course on Manufacturing with 5 hours of video content by Industry leaders in various domains of Manufacturing), Role: PI


A grant under the for improvement of S&T Infrastructure (FIST), Role: Co-PI, Cost: 2.35 Crore, DST



Design and development of a customized elastomeric balloon for a constant air pressure output bio-medical device, Role: PI


Independent Verification Agency-TEQIP III, Role: PI


Design Support for Negative Pressure Ambulance and Isolation Room For Covid19 Patients, Role: PI 







DST (approved, to start from December)
























DST-SERB(Young Scientist)
























COEO Labs (Consultancy)






NPIU-MHRD-World Bank (Consultancy)


Bafna Healthcare Pvt. Ltd., Faridabad.

4.6 Crores: IITRPR-2.24





70 Lacs






47 Lacs







47 Lacs




4 Crores:

IITRPR-75 Lacs






29.1 Lacs









14 Lacs









2.35 Crores






5.5 Lacs






55.69 Lacs



2.60 Lacs



a.   Head, Training & Placement Cell, IIT Ropar from April 2017 onwards. Brought several reforms in the functioning of T&P Cell. Played a key role in establishing Career Development & Corporate Relation Centre (CDCRC) at IIT Ropar and to start a B.Tech program with Additional Internship and Joint Master Thesis with Industry.

b.   Coordinator, National Resource Centre for Manufacturing at IIT Ropar from Aug' 2018-Jul'2019 to develop a 40 hour MOOC on Manufacturing. The course is floated on the Swayam Platform by GoI and includes extensive inputs by thought leaders from Industry and Academia.

c.   Organizing Team Member for SAE-BAJA 2018 at IIT Ropar, Jan’ 17-Mar’18.

d.   Faculty In-charge, Board of Cultural Activities (BOCA), IIT Ropar, Aug'14 - Jun’15.

e.   Established an online teaching feedback mechanism for IIT Ropar, June'14 - Nov’14.




a.   IIT Ropar student team with Dr. Dhiraj K. Mahajan as advisor won the second prize in HY Contest-2019 organized by Hydrogen Association of India for the report titled "Modeling the Hydrogen Refuelling Station for Heavy Duty Bus Applications".


b.   International Travel Support Award for attending 13th International Conference on the Mechanical Behavior of Materials held at RIMT, Melbourne, Australia, June 2019.


c.   In a conference organized by Indian Structural Integrity Society (InSIS) and DMRL naming Structural Integrity Conference and Exhibition 2018 (www.sice2018.in) at Hyderabad from 25th-27th July 2018, two Ph.D. students (Rakesh Kumar and Aman Arora) won the best poster and best presentation awards. (https://www.sice2018.in/site/conference-awards)


d.   IIT Ropar student team with Dr. Dhiraj K. Mahajan as advisor won the Veziroglu Award in HY Contest-2017 organized by the Hydrogen Association of India for the report titled "An Innovative Fuel Cell Application for Rural India: From Concept to Design".


e.   IIT Ropar student team with Dr. Dhiraj K. Mahajan as advisor won the second prize in HY Contest-2015 organized by Hydrogen Association of India for the report titled "Hydrogen Refueling Dispensing Station Model".


f.    Best Poster Award at DAE-BRNS Symposium on Multiscale Modeling of Materials and Devices (MMMD-2014) held at Bhabha Atomic Research Centre (BARC), Mumbai from October 30-November 2, 2014.


g.   Young scientist International Travel Support Award for attending Joint EU-India Grid Tutorial on chemical and material science applications held at ICTP, Trieste, ITALY, September 2008.



Areas of Research: 
Role of grain boundaries in fatigue failure of steels under hydrogen environment
Crystal plasticity based modeling of metal plasticity
Material behavior modeling based on Molecular Dynamics
Mechanics and physics of polymeric materials
Thermoplastic polymer-substrate adhesion improvement based on substrate surface modifications
PhD, IIT Kanpur (Advisor: Prof. Sumit Basu)
M.Tech, NIT Warangal
B.Tech, S.B.S.C.E.T, Ferozepur, Punjab

Teaching Interests

Crystal Plasticity, Mechanics of Materials, Atomistic Modeling of Materials, Continuum Mechanics, Elasticity and Plasticity of Large Deformations, Fracture and Fatigue, Advanced Manufacturing Techniques.