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    Mouparna Manna

    About


    Designation: Doctor
    Degree: Ph. D.
    Supervisor: Manojit Ghosh

    Academic Qualification

    Ph.D.( Computational Materials Science and Engineering), Department of Metallurgical and Materials Engineering, National Institute of Technology Rourkela,

    Thesis Title: Study of radiation damage in metallic systems using molecular dynamics simulations.


    Research Area


    Topic: Design development and multi-scale materials modeling of high entropy alloy based multifunctional composites through additive manufacturing (PAIR Project)

    Computational Materials Science,Mechanical behavior of materials, Molecular Dynamics, Solid State Physics, Atomistic Simulation and Modelling, Materials Informatics


    Skills


    Operating System: Windows, High Performance Computing (HPC) and Linux

    Atomistic and Molecular Simulation Packages: LAMMPS, Atomsk, OVITO

    Computational chemistry software package: Avogadro, Packmol and Vesta

    Life cycle assessment software package: GREET (Greenhouse gases, Regulated Emissions, and Energy use in Technologies)


    Publications


    1. Manna, M., and Pal, S. (2024)Irradiation damage evolution dependence on misorientaton angle for∑ 5 grain boundary of Nb: An atomistic simulation-based study. Journal of Engineering Materials and Technology, pp.1-22. 

    2. Manna, M., and Pal, S. (2023). Molecular dynamics simulation for radiation response of Nb bicrystal having sigma 13, sigma 29, and sigma 85 grain boundary. Journal of Applied Physics, 133(16). 

    3. Jain, V., Das, K., Chaudhuri, A.,Manna, M., Pal, S., and Ghosh, M. (2023). Modelling of thermal behaviour in Niobium during Electron Beam Welding. Materials Today Communications, 107020. 

    4. Manna, M., and Pal, S. (2022). Improvement in radiation resistance of nanocrystalline Cu using grain boundary engineering: an atomistic simulation study. Journal of Materials Science, 57(42), 19832-19845. 

    5. Manna, M., Singh, S. K., and Pal, S. (2025). Molecular Dynamics Simulation Study of Irradiated High-Entropy Alloy with Crystalline–Amorphous Nanolaminate. High Entropy Alloys and Materials, 1-15.

    6. Manna, M., and Pal, S. (2024, February). Investigation of Primary Radiation Damage in Nanocrystalline Tantalum Using Machine-Learning Interatomic Potential: An Atomistic Simulation Study. In International Conference on Reliability, Safety, and Hazard (pp. 167- 182). Singapore: Springer Nature Singapore.