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  1. No Access

    Chapter

    Atomistic Modelling of Bio-Nanocomposites for Bone Tissue Engineering Applications

    Biopolymers, such as collagen, chitosan, and cellulose, are abundant in nature. Their potential use as scaffolds in bone tissue engineering may open new avenues for speedy tissue recovery. However, they are we...

    Jashveer Singh, Rajesh Kumar in Polymer Composites: From Computational to … (2024)

  2. No Access

    Chapter

    Atomistic Simulations for Mechanical Behaviour of Natural Biopolymers for Material Design

    Biopolymers such as chitosan, cellulose, and collagen are naturally existing classes of polymers with a wide range of applications. However, the non-availability of ample experimental techniques gives rise to ...

    Jashveer Singh, Rajesh Kumar in Microbiology-2.0 Update for a Sustainable Future (2024)

  3. No Access

    Chapter

    Tersoff and REBO Potentials

    Interatomic potentials are used to describe the motion of the individual atoms in atomistic simulations. A perfect approach of the interatomic forces in a system of atoms requires massive quantum mechanical ca...

    Rajesh Kumar, Jashveer Singh in Forcefields for Atomistic-Scale Simulation… (2022)

  4. No Access

    Chapter and Conference Paper

    Effect of Loading Rate and Constraint on Dynamic Ductile Fracture Toughness of P91 Steel

    The dynamic ductile fracture toughness (J 0.2d and J d -R curve) of P91 steel is an important parameter for design against failure of fast reactor sub-assem...

    S. Sathyanarayanan, Jashveer Singh… in Proceedings of Fatigue, Durability and Fra… (2018)