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  1. No Access

    Article

    Dislocation–grain boundary interactions in Ta: numerical, molecular dynamics, and machine learning approaches

    The motivation of this work was to find the appropriate molecular dynamics (MD) and slip transmission parameters of dislocation–grain boundary (GB) interaction in tantalum that correlate with the stress requir...

    A. Kedharnath, Rajeev Kapoor, Apu Sarkar in Journal of Materials Science (2024)

  2. No Access

    Chapter and Conference Paper

    Effect of Tungsten Addition on Shock Loading Behavior in Ta–W System: A Molecular Dynamics Study

    The effect of tungsten addition to tantalum on spall strength is studied using the molecular dynamics technique. The single crystal configurations with piston plane lying on

    A. Kedharnath, Rajeev Kapoor, Apu Sarkar in Advances in Structural Integrity (2022)

  3. No Access

    Article

    Effect of symmetrical and asymmetrical tilt grain boundaries on the tensile deformation of zirconium bicrystals: a MD-based study

    The aim of this article was to study the effect of symmetrical as well as asymmetrical tilt grain boundaries on the tensile deformation of irradiated bicrystalline zirconium. Molecular statics-based simulation...

    Divya Singh, Avinash Parashar, A. Kedharnath, Rajeev Kapoor… in Journal of Materials Science (2019)