Rajesh – National Institute of Technology, Kurukshetra

Rajesh

Designation:    Assistant Professor
Department:    Mechanical Engg
Qualification:    PhD
Address:
Publications:

Tersoff potential with improved accuracy for simulating graphene in molecular dynamics environment

G Rajasekaran, R Kumar, A Parashar

Materials Research Express 3 (3), 035011

1132016Enhanced thermal transport across a bi-crystalline graphene–polymer interface: an atomistic approach

A Verma, R Kumar, A Parashar

Physical Chemistry Chemical Physics 21 (11), 6229-6237

1032019Atomistic modeling of BN nanofillers for mechanical and thermal properties: a review

R Kumar, A Parashar

Nanoscale 8 (1), 22-49

862016Optimised cut-off function for Tersoff-like potentials for a BN nanosheet: a molecular dynamics study

R Kumar, G Rajasekaran, A Parashar

Nanotechnology 27 (8), 085706

762016Effects of different hydrogenation regimes on mechanical properties of h-BN: a reactive force field study

R Kumar, P Mertiny, A Parashar

The Journal of physical chemistry C 120 (38), 21932-21938

432016Effect of geometrical defects and functionalization on the interfacial strength of h-BN/polyethylene based nanocomposite

R Kumar, A Parashar

Polymer 146, 82-90

322018Fracture toughness enhancement of h-BN monolayers via hydrogen passivation of a crack edge

R Kumar, A Parashar

Nanotechnology 28 (16), 165702

282017Dislocation assisted crack healing in h-BN nanosheets

R Kumar, A Parashar

Physical Chemistry Chemical Physics 19 (32), 21739-21747

242017Displacement thresholds and knock-on cross sections for hydrogenated h-BN monolayers

R Kumar, A Parashar, P Mertiny

Computational Materials Science 142, 82-88

102018Effect of grain boundaries’ doping on the mechanical properties of nitrogen-doped bicrystalline graphene

R Kumar

Diamond and Related Materials 121, 108771

42022Effect of the interface on mechanical and fracture properties of lateral graphene/hexagonal boron-nitride heterostructure: A molecular dynamics study

J Singh, R Kumar

Diamond and Related Materials 136, 110001

32023Interface microstructure effects on dynamic failure behavior of layered Cu/Ta microstructures

R Kumar, J Chen, A Mishra, AM Dongare

Scientific Reports 13 (1), 11365

12023Reactive Forcefield (ReaxFF): Application to Predict 2D Nanomaterials Synthesis

R Kumar

Forcefields for Atomistic-Scale Simulations: Materials and Applications, 205-215

12022Tersoff and REBO Potentials

R Kumar, J Singh

Forcefields for Atomistic-Scale Simulations: Materials and Applications, 187-203

2022

Email: Rpawar@nitkkr.ac.in
Phone No: 999999999

Area of Interest:

Computational Mechanics, Molecular Dynamics Simulations, Density Functional Based Calculations, Mechanics of 2D and 3D Materials, Computational Modelling
Functionalization and Defect Engineering, Mechanical and Fracture Behavior of Materials
Multiscale Modelling, Multiphase Metallic Materials and Interfaces, Nanocomposites
Shockwave Propagation in Materials, High Strain Response of Multiphase Materials
Computational Techniques
Density Functional Calculations, Classical Molecular Dynamics Computational Packages LAMMPS, Materials Studio, Quantum Expresso, Atomsk, VMD, VASP
Programming Languages
Python, C++, Fortran

Others:

Ongoing