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  1. No Access

    Chapter

    Reinforcing Potential of 2D Nanofiller in Polyethylene: A Molecular Dynamics Approach

    In this chapter, the authors have emphasized the reinforcing potential of the 2D nanofiller such as graphene and hexagonal boron nitride nanosheet in the polymer matrix nanocomposites using a molecular dynamic...

    Ankur Chaurasia, Sandeep Kumar Singh… in Forcefields for Atomistic-Scale Simulation… (2022)

  2. No Access

    Article

    Inter-granular fracture behaviour in bicrystalline boron nitride nanosheets using atomistic and continuum mechanics-based approaches

    Hexagonal boron nitride nanosheets (BNNS) are among the emerging nanomaterials with potential application in water purification, nanocomposites and ion separation. In this article, atomistic followed by sequen...

    Bharat Bhushan Sharma, Avinash Parashar in Journal of Materials Science (2021)

  3. No Access

    Article

    Mechanical and fracture behaviour of hydroxyl functionalized h-BN nanosheets

    Hydroxyl functionalized h-BN nanosheets (BNNS) are potential applicant for reinforcing polymer-based nanocomposites and develo** nanomembranes for ion separation. So far, the literature is almost mute on the...

    Bharat Bhushan Sharma, Avinash Parashar in Journal of Materials Science (2020)

  4. 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)