List of publications
R.Ramakrishnan, R.Sankarasubramanian, Abhik N.Choudhury, and M.P.Gururajan, "Modeling Properties and Phenomena at High Temperatures: Atomistic and Phase-Field Approaches", Chapter 2.4 in Treatise on Process Metallurgy - Volume 1: Process Fundamentals, Edited by Seshadri Seetharaman, Roderick Guthrie, Alexander McLean, Sridhar Seetharaman, H. Y. Sohn, In print, 2023.
Modelling of microstructural evolution in the solid state, M P Gururajan, Sushil Kumar, S G Nagarajan, Journal of Metallurgy & Materials Science, Review article (by invitation) in the special Issue on 'Computational Materials Science' edited by S Ghosh Chowdhury and Vikas C Srivastava.
Misorientation development at Σ3 boundaries in pure copper: experiments and MD simulations, Sandhya Verma, G. Kamalakshi, M. P. Gururajan, Prita Pant, Metallurgical and Materials Transactions A, Vol. 54, pp. 2656–2669, 2023.
M. P. Gururajan and Sushil Kumar, "Elastic Stress Driven Instabilities in Thin Films and their Assemblies," Chapter 8, pp. 8-1–8-26 in Strain Engineering in Functional Materials and Devices, edited by Ranjith Ramadurai and Saswata Bhattacharyya, AIP Publishing, Melville, New York, 2023. Available online at: https://doi.org/10.1063/9780735425590_008
Electron-phonon interaction contribution to the total energy of group IV semiconductor polymorphs: evaluation and implications, Arjun Varma R., Shilpa Paul, Anup Itale, Pranav Pable, Radhika Tibrewala, Samruddhi Dodal, Harshal Yerunkar, Saurav Bhaumik, Vaishali Shah, M P Gururajan, T Prasanna, ACS Omega, Vol. 8, Issue 12, pp. 11251–11260, 2023.
Dislocation assisted phase separation: a phase field study, Arjun Varma R., Prita Pant, M. P. Gururajan, Acta Materialia, Vol. 244, 118529 (9 pages), 2022.
Simultaneous occurrence of twinning and phase transformation during yield point elongation in medium manganese steels, Poornachandra Satyampet, Subhas Bhunia, M. P. Gururajan and Prita Pant, Metallurgical and Materials Transactions A, Vol. 54, pp 6-10, 2022.
MIST (MIcrostrusture STatistics): A open source library in Python for the analysis of anisotropic microstructures, Adithya J Iyer, Sushil Kumar, Richa Gupta, Hina A Gokhale, and M P Gururajan, Sadhana, Vol. 47, p. 275 (16 pages), 2022.
BattPhase—A Convergent, Non-Oscillatory, Efficient Algorithm and Code for Predicting Shape Changes in Lithium Metal Batteries Using Phase-Field Models: Part I. Secondary Current Distribution, Taejin Jang, Lubhani Mishra, Scott A. Roberts, Brady Planden, Akshay Subramaniam, Maitri Uppaluri, David Linder, Mogadalai P. Gururajan, Ji-Guang Zhang and Venkat R. Subramanian, J. Electrochem. Soc., Vol. 169, p. 080516, 2022.
Effect of Dislocation Network on Precipitate Morphology and Deformation Behaviour in Maraging steels: Modelling and Experimental Validation, Kevin Jacob, Abhinav Roy, M P Gururajan and B Nagamani Jaya, Materialia, Vol 21, 101358 (14 pages), 2022.
Morphological evolution of grain boundaries under lateral strains, Ming-Wei Liu, M P Gururajan, and Kuo-An Wu, Physical Review Materials, Vol. 6, 023601 (9 pages), 2022.
Deformation behaviour of Cu and Cu-Al in the dislocation starved regime: a molecular dynamics study, G Kamalakshi, Prita Pant and M P Gururajan, Computational Materials Science, Volume 203, 15 February 2022, 111087 (11 paages) 2021.
Phase-field study of surface diffusion enhanced break-ups of nanowire junctions, Abhinav Roy, Arjun Varma R, M P Gururajan, Journal of Applied Physics, Volume 130, 194301 (20 pages), 2021. (Author copy pdf)
Anisotropy in interface stress at the bcc-iron solid-melt interface: molecular dynamics and phase field crystal modelling, Sushil Kumar, Ming-Wei Liu, Kuo-An Wu, M P Gururajan, Computational Materials Science, Volume 202, 1 February, Article 110982 (10 pages), 2022. (Author copy pdf)
Concentration gradient driven anisotropic spinodal decomposition kinetics: Nitriding of metallic alloys, K. N. Sasidhar, M. P. Gururajan, and, S. R. Meka, Philosophical Magazine Letters, Vol. 101, 11, 432-443, 2021. (Author copy pdf)
Phase field modelling of morphologies driven by tetragonal interfacial energy anisotropy, Arijit Roy and M P Gururajan, Crystal Growth & Design, Vol 21 (3), 1591-1603, 2021. (ACS Editors' Choice article)
Piezoresistive pressure sensor using nanocrystalline silicon thin film on flexible substrate, Vivek Pandey, Aparajita Mandal, Swapnil Sisle, M P Gururajan, and R O Dusane, Sensors and Actuators A. Physical, Vol. 316, 112372 (9 pages), 2020.
Microstructure engineering to optimise hardness and conductivity in electrolytic tough pitch copper, N Harshavardhana, M P Gururajan, and Prita Pant, Metallurgical and Materials Transactions A, Vol. 50, 566–3577, 2019.
Revisiting the interface sensitive selective crystallisation in HWCVD a-Si:H/Al bilayer system, Vivek Pandey, Aparajita Mandal, M P Gururajan, and R O Dusane, Journal of Non-Crystalline Solids, Vol. 509, 115-122, 2019.
First-principles/Phase-field modeling of theta' precipitation in Al-Cu alloys, Kyoungdoc Kim, Arijit Roy, M P Gururajan, C Wolverton, and P W Voorhees, Acta Materialia, Vol. 140, 344-354, 2017.
Interfacial free energy anisotropy driven faceting of precipitates, Arijit Roy, S Nani, Arka Lahiri, and M P Gururajan, Philosophical Magazine, Vol. 97, No. 30, 2705-2735, 2017.
Elastic stress effects on microstructural instabilities, M P Gururajan and A Lahiri, IISc Journal, Vol. 96, No. 3, pp. 199-234, 2016.
Modified Young’s equation for equilibrium dihedral angles of grain boundary grooves in thin films at the nanoscale, Shang-Chun Lin, Ming-Wei Liu, M P Gururajan, and Kuo-An Wu, Acta Materialia, 102, pp. 364-372, 2016.
3D growth kinetics of precipitates with anisotropic interfacial free energy: A phase-field study, Arijit Roy and M P Gururajan, Transactions of the Indian Institute of Metals, Vol 68 (Suppl 2), pp. S177–S183, 2015.
Comparison of room temperature and cryo-deformation effects on mechanical properties and microstructure of copper, N. Harshavardhana, N. R. Gorhe, J. Freudenberger, M. P. Gururajan , P. Pant, Transactions of the Indian Institute of Metals, Vol 68 (Suppl 2), pp. S131–S135, 2015.
Precipitate growth kinetics in systems with interfacial energy and mobility anisotropy: a phase-field study, Arijit Roy and M P Gururajan, Proceedings of international conference on solid-solid phase transformations in inorganic materials 2015, Edited by Matthias Militzer, Gianluigi Botton, Long-Qing Chen, James Howe, Chadwick Sinclair, and Hatem Zurob, pp. 325-332, 2015.
Construction and working of a hard sphere simulator, Geeta Monpara, Shruti Sharma, A S Panwar, M P Gururajan, Resonance, January, 2015. (PDF link; might take long to download).
Effect of epitaxial strain on phase separation in thin films, A Lahiri, T A Abinandanan, M P Gururajan, S Bhattacharyya, Philosophical Magazine Letters, Vol. 94, 11, pp. 702-707, 2014.
On the incorporation of cubic and hexagonal anisotropy in interfacial energy in phase field models using higher order tensor terms, E S Nani and M P Gururajan, Philosophical Magazine, Vol. 94, 29, pp. 3331-3352, 2014. If you do not have access to the journal, you can try this URL for accessing the paper
Wrinkling of Atomic Planes in Ultrathin Au Nanowires, A Roy, S Kundu, K Mueller, A Rosenauer, S Singh, P Pant, M P Gururajan, P Kumar, J Weissmüller, A Singh, N Ravishankar, ACS Nano Letters, Vol. 14, 8, pp. 4859-4866, 2014.
Phase field modelling of the evolution of solid-solid and solid-liquid boundaries: Fourier and wavelet implementations, M P Gururajan, Mira Mitra, S B Amol and E Chandrasekhar, pp. 247-272 in Wavelets and fractals in earth system sciences, Edited by E Chandrasekhar, V M Dimri, and V M Gadre, Taylor and Francis, 2013.
Phase field models as computer experiments: growth kinetics of anisotropic precipitates, R Mukherjee, T A Abinandanan and M P Gururajan, Advances in Materials Development, Materials Science Forum , Vol. 736, pp. 1-12, 2013.
Precipitate growth with composition dependent diffusivity -- Comparison with theory and phase field simulations, R Mukherjee, T A Abinandanan and M P Gururajan, Scripta Materialia, Vol. 62, pp. 85-88 (2010).
Phase field study of precipitate growth: Effect of misfit strain and interface curvature, R Mukherjee, T A Abinandanan, and M P Gururajan, Acta Materialia, Vol. 57, pp. 3947-3954 (2009)
Phase field modeling of grain growth: effect of boundary thickness, triple junctions, misorientation, and anisotropy, I M McKenna, M P Gururajan, and P W Voorhees, Journal of Materials Science, Vol. 44, pp. 2206-2217 (2009).
A phase field study of morphological instabilities in multilayer thinfilms, B G Chirranjeevi, T A Abinandanan, and M P Gururajan, Acta Materialia, Vol. 57, pp. 1060-1067 (February 2009).
Phase inversion in two-phase solid systems driven by an elastic modulus mismatch, M P Gururajan and T A Abinandanan, Philosophical Magazine, Vol. 87, 33, pp. 5279-5288 (November 2007)
Phase field study of precipitate rafting under a uniaxial stress, M P Gururajan and T A Abinandanan, Acta Materialia, Vol. 55, 15, pp. 5015-5026 (September 2007)
A phase field study of microstructural evolution in elastically inhomogeneous systems, M P Gururajan and T A Abinandanan, Proceedings of solid-solid phase transformations in inorganic materials 2005, May 29th - June 3rd, 2005, Edited by James M. Howe, David E. Laughlin, Jong K. Lee, Ulrich Dahmen, and William A. Soffa, TMS 2005, volume 2, 747.
Effect of interaction energies on the vacancy behaviour in B2 ordered intermetallics, M P Gururajan and T A Abinandanan, Materials Science and Engineering A, Vol. 329-331, pp. 388-394 (June 2002)
Correlation between bond energies and point-defect behaviour in B2 intermetallics, M P Gururajan and T A Abinandanan, Philosophical Magazine A, Vol. 81, 12, pp. 2785-2795 (December 2001)
Mean field theory of point defects in beta-NiAl, M P Gururajan and T A Abinandanan, Intermetallics, Vol. 8, 7, pp. 759-767 (July 2000)