Dr. Sunil Kumar
Dr. Sunil Kumar's picture
Name :   Dr.Sunil Kumar
Designation :   Scientist -C and Assistant Professor
Contact Information :
  • Email id :  sunil@nml.res.in
  • Mobile/Phone no:  06572345029, 7541810554
Educational Qualification :   Ph.D (Chemical Engineering)
Areas of Expertise :   Molecular Dynamics Simulation, Density Functional Theory Simulation, Phase Field Simulations
No. of Papers Published :   24
  • International :   Single author publications 1. Sunil Kumar, Structural evolution of iron-copper (Fe-Cu) bimetallic janus nanoparticles during solidification: an atomistic investigation. Journal of Physical Chemistry C 124 (2020) 1053-1063. (Impact factor = 4.320) 2. Sunil Kumar, Evolution of nano-porous structure of aluminium-magnesium alloy during multi-axial tensile deformation: Estimation of stress-strain response and dimension-less aspect ratio, Material Chemistry and Physics 220 (2018) 50-57. (Impact factor = 2.210) 3. Sunil Kumar, Wettability and Structural Evolution of Gold over a Single-walled Carbon Nanotube: an Atomistic Investigation, Journal of Physical Chemistry C 122 (2018) 16346–16355. (Impact factor = 4.484) 4. Sunil Kumar, Spreading and Orientation of Silver Nano-drop over a flat Graphene Substrate: an Atomistic Investigation, Carbon 138 (2018) 26-41. (Impact factor = 7.082) 5. Sunil Kumar, Graphene Engendered aluminium crystal growth and mechanical properties of its composite: An atomistic investigation, Material Chemistry and Physics 208 (2018) 41-48. (Impact factor = 2.210) 6. Sunil Kumar, Graphene engendered 2-D structural morphology of aluminium atoms: Molecular dynamics simulation study. Material Chemistry and Physics 202 (2017) 329-339. (Impact factor = 2.210) 7. Sunil Kumar, Effect of applied force and atomistic organization of copper on its adhesion to graphene substrate, RSC Advance 7 (2017) 25118-25131. (Impact factor = 3.108) Complete list of publications 2020 1. Sunil Kumar, and Trilochan Mishra. "Shock wave induced exfoliation of molybdenum disulfide (MoS2) in various solvents: All-atom molecular dynamics simulation." Journal of Molecular Liquids 314 (2020): 113671. (Impact factor = 5.056) 2. Sunil Kumar, Trilochan Mishra, and Avik Mahata. "Manipulation of mechanical properties of monolayer molybdenum disulfide: Kirigami and hetero-structure based approach." Materials Chemistry and Physics (2020): 123280. (Impact factor = 3.408) 3. Sunil Kumar, Structural evolution of iron-copper (fe-cu) bimetallic janus nanoparticles during solidification: an atomistic investigation. Journal of Physical Chemistry C 124 (2020) 1053-1063. (Impact factor = 4.189) 4. Chakravarty, K., Sunil Kumar, Increase in energy efficiency of a steel billet reheating furnace by heat balance study and process improvement. Energy Reports 6 (2020) 343-349. (Impact factor = 3.595) 2019 5. Sunil Kumar, S. K. Pattanayek, Effect of Multiaxial Tensile Deformation on the Mechanical Properties of Semiflexible Polymeric Samples. Journal of Physical Chemistry B 123 (2019) 9238-9249. (Impact factor = 2.857) 6. Sunil Kumar, S. K. Pattanayek, Force induced removal of an encapsulated semi-flexible polymer from single walled carbon nanotube, Chemical Physics 516 (2019) 22-27. (Impact factor = 1.771) 7. Sunil Kumar, S. K. Das, S. K. Pattanayek, Reactivity-Controlled Aggregation of Graphene Nanoflakes in Aluminum Matrix: Atomistic Molecular Dynamics Simulation. Journal of Physical Chemistry C 123 (2019) 18017-18027. (Impact factor = 4.189) 2018 8. Sunil Kumar, Evolution of nano-porous structure of aluminium-magnesium alloy during multi-axial tensile deformation: Estimation of stress-strain response and dimension-less aspect ratio. Material Chemistry and Physics 220 (2018) 50-57. (Impact factor = 3.408) 9. Sunil Kumar, Wettability and Structural Evolution of Gold over a Single-walled Carbon Nanotube: an Atomistic Investigation, Journal of Physical Chemistry C 122 (2018) 16346–16355 (Impact factor = 4.189) 10. Sunil Kumar, S. K. Das, S. K. Pattanayek, Evolution of Nanostructure and Mechanical Properties of Silver in the Confined Region between Graphene Sheets: an Atomistic Investigation. Computational Material Science 152 (2018) 393-407. (Impact factor = 2.863) 11. Sunil Kumar, Spreading and Orientation of Silver Nano-drop over a flat Graphene Substrate: an Atomistic Investigation, Carbon 138 (2018) 26-41. (Impact factor = 8.821) 12. Sunil Kumar, S. K. Pattanayek, Semi-flexible Polymer Engendered Aggregation/dispersion of Fullerene (C60) Nano-particles: An atomistic investigation, Chemical Physics Letter 701 (2018) 22-29. (Impact factor = 2.029) 13. Sunil Kumar, Graphene Engendered aluminium crystal growth and mechanical properties of its composite: An atomistic investigation, Material Chemistry and Physics, 202 (2018) 329-339. (Impact factor = 3.408) 14. Sunil Kumar, S. K. Das, Characterization of mechanical properties and nano-porous structure of Aluminium-Magnesium alloy during multi-axial tensile deformation: An atomistic investigation, Journal of Alloys and Compounds 740 (2018) 626-638. (Impact factor = 4.650) 15. S. K. Paul, Sunil Kumar, S. Tarafder. Orientation-dependent crack-tip blunting and crack propagation in a single crystal BCC iron. Bulletin of Materials Science 41 (2018) 148. (Impact factor = 1.392) 2017 16. Sunil Kumar, Graphene engendered 2-D structural morphology of aluminium atoms: Molecular dynamics simulation study. Material Chemistry and Physics 202 (2017) 329-339. (Impact factor = 3.408) 17. Sunil Kumar, V. C. Srivastava, G. K. Mandal, S. K. Pattanayek, and K. L. Sahoo. Single-Walled Carbon Nanotube Engendered Pseudo-1D Morphologies of Silver Nanowire. The Journal of Physical Chemistry C 121(2017) 20468–20480. (Impact factor = 4.189) 18. Sunil Kumar, S. K. Das. Tri-axial tensile deformation induced nanoporous structure of aluminium: estimation of surface area, solid volume and dimensionless aspect ratio. Physical Chemistry Chemical Physics 19 (2017) 21024-21032. (Impact factor = 3.430) 19. Sunil Kumar, Effect of applied force and atomistic organization of copper on its adhesion to graphene substrate. RSC Advance 7 (2017) 25118-25131. (Impact factor = 3.119) 20. S. K. Paul, Sunil Kumar and S. Tarafder, Effect of loading conditions on nucleation of nano void and failure of nanocrystalline aluminum: An atomistic investigation, Engineering Fracture Mechanics 176 (2017) 257-262. (Impact factor = 3.426) 2016 21. Sunil Kumar and S. K. Pattanayek. Effect of organization of semi-flexible polymers on mechanical properties of its composite with single wall carbon nanotubes. Composites Science and Technology 134 (2016) 242-250. (Impact factor = 7.094) 22. Sunil Kumar, S. K. Pattanayek, G. G. Pereira and S. Mohanty. Effect of uniformly applied force and molecular characteristics of a polymer chain on its adhesion to graphene substrates. Langmuir 32 (2016) 2750-2760. (Impact factor = 3.557) 2015 23. *#Sunil Kumar, S. K. Pattanayek, and G. G. Pereira. Polymers encapsulated in short single wall carbon nanotubes: Pseudo-1D morphologies and induced chirality. The Journal of chemical physics 142 (2015) 114901. (Impact factor = 2.991) *Selected as FEATURED article and COVER PAGE image. #Most downloaded article of the Journal of Chemical Physics in the 2015. 2014 24. Sunil Kumar, S. K. Pattanayek, and G. G. Pereira. Organization of polymer chains onto long, single-wall carbon nano-tubes: effect of tube diameter and cooling method. The Journal of chemical physics 140 (2014) 024904. (Impact factor = 2.991)
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Equipment/Software Skills :   High performance computing Clusters, LAMMPS, GROMACS, MICRESS, OPENPHASE,

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