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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No.of.Patents :
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No.of.Technologies :
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Equipment/Software Skills : High performance computing Clusters,
LAMMPS,
GROMACS,
MICRESS,
OPENPHASE,
Awards and Recognitions :
My current research area is understanding the physical metallurgy of the metal and alloy using Molecular Dynamics Simulation (MDS). My other research area includes design, synthesis and characterization of advance 2D materials, 3D printing of materials, metal-matrix graphene/nanotube composite, polymer crystallization and polymer nano-composite using MDS.
My current research area is understanding the physical metallurgy of the metal and alloy using Molecular Dynamics Simulation (MDS). My other research area includes design, synthesis and characterization of advance 2D materials, 3D printing of materials, metal-matrix graphene/nanotube composite, polymer crystallization and polymer nano-composite using MDS.
