Items where Author is "Kumar, Sunil"

Article

Kumar, Arun and Kumar, Sunil and Kumar, Ashok and Sharma, Sanjay (2025) Prediction of creep degradation in Fe-Cr-Ni single-crystal alloys for high-temperature applications: a molecular-dynamics and machine-learning approach. Mechanics of Time-Dependent Materials, 29(1) .

Kumar, Sunil and Sahu, Ranjan K (2025) External Electric Field Induced Atomic Charge Migration and Surface Degradation of CsPbI3: A Reactive Molecular Dynamics Simulation based study. Material Chemistry and Physics , 333 .

Kumar, Roshan and Kumar, Sunil and Sahu, Ranjan K and Kailath, A J (2024) Atomic Investigation of Corrosion Mechanism and Surface Degradation of Fe-Cr-Ni Alloy in Presence of Water: Advance Reactive Molecular Dynamics Simulation. Transactions of the Indian Institute of Metals, 77(3) . pp. 875-887.

Kumar, Roshan and Kumar, Sunil and Kailath, A J and Sahu, Ranjan K (2024) Mechanistic investigation of hydrogen generation from water and magnesium catalyst reaction: Advanced reactive molecular dynamics simulation. International Journal of Hydrogen Energy, 52 Part A . pp. 1440-1445.

Kumar, Sunil (2024) Structural phase transformation in single-crystal Fe–Cr–Ni alloy during creep deformation using molecular dynamics simulation and regression-based machine learning methodology. Bulletin of Materials Science .

Kumar, Sunil and Sahu, Ranjan K (2024) Fe–Al core-shell structure as an efficient catalyst for dual hydrogen production and storage by thermochemical water splitting: A reactive molecular dynamic simulation. International Journal of Hydrogen Energy .

Kumar, Roshan and Kumar, Sunil and Sahu, Ranjan K (2024) Mechanistic investigation of hydrogen generation from water and magnesium catalyst reaction: Advanced reactive molecular dynamics simulation. International Journal of Hydrogen Energy, 52 (8.1).

Kumar, Roshan and Kumar, Sunil and Sahu, Ranjan Kumar and Kailath, Ansu J. (2024) Atomic Investigation of Corrosion Mechanism and Surface Degradation of Fe–Cr–Ni Alloy in Presence of Water: Advance Reactive Molecular Dynamics Simulation. Transactions of the Indian institute of Metals, 77 . pp. 875-887.

Kumar, Arun and Kumar, Sunil and Kumar, Ashok (2023) Structural phase transformation in single-crystal Fe-Cr-Ni alloy during creep deformation using molecular dynamics simulation and regression-based machine learning methodology. Bulletin of Materials Science, 47(1) .

Kumar, Sunil and Sahu, Ranjan K (2023) Fe-Al core-shell structure as an efficient catalyst for dual hydrogen production and storage by thermochemical water splitting: A reactive molecular dynamic simulation. International Journal of Hydrogen Energy, 52 Part A . pp. 1498-1506.

Kumar, Arun and Agarwal, Ashish and Kumar, A and Kumar, Sunil (2023) Prediction of hot metal temperature in a blast furnace iron-making process using multivariate data analysis and machine learning methodology. Metallurgical Research & Technology, 120(6) .

Kumar, Sunil and Nandi, Sukalpan and Pattanayek, S K and Madan, M and Kaushik, B and Kumar, R and Krishna, K Gopala (2023) Atomistic characterization of multi nano-crystal formation process in Fe-Cr-Ni alloy during directional solidification: Perspective to the additive manufacturing. Materials Chemistry and Physics, 308 .

Kumar, Sunil and Sahu, Ranjan K (2023) Aluminum nanotubes as an efficient catalyst for hydrogen production via thermochemical water splitting: a reactive molecular dynamics simulation. Physical Chemistry Chemical Physics .

Nandi, Sukalpan and Kumar, Sunil (2022) Atomistic structural transformation of iron single crystal under bi-axial stretching using classical molecular dynamics simulation. Bulletin of Materials Science, 45(4) .

Kumar, Sunil and Mishra, Trilochan and Sahu, Ranjan K (2022) Mechanical-load and temperature-engendered degradation of α-CsPbI3: reactive molecular dynamics simulation. Journal of Material Chemistry C, 10 (8.06). pp. 12091-12105.

Sahu, Ranjan K and Kumar, Sunil and Mandal , D and Das Chakraborty, S and Bhattacharya, P and Mishra, T (2021) Dangling Bond-Induced Surface Depletion in CdS Leaf. ACS Applied Electronic Materials, 3(7) . pp. 2977-2987.

Kumar, Sunil and Mishra, T (2020) Shock wave induced exfoliation of molybdenum disulfide (MoS2) in various solvents: All-atom molecular dynamics simulation. Journal of Molecular Liquids, 314 (5.065). p. 113671.

Kumar, Sunil and Mishra, T and Mahata, Avik (2020) Manipulation of mechanical properties of monolayer molybdenum disulfide: Kirigami and hetero-structure based approach. Materials Chemistry and Physics, 252 (IF-3.408). p. 123280.

Chakravarty, Koushik and Kumar, Sunil (2020) Increase in energy efficiency of a steel billet reheating furnace by heat balance study and process improvement. Energy Reports, 6 (IF-3.83). pp. 343-349.

Kumar, Sunil (2020) Structural Evolution of Iron–Copper (Fe–Cu) Bimetallic Janus Nanoparticles during Solidification: An Atomistic Investigation. The Journal of Physical Chemistry C, 124 (IF-4.309). pp. 1053-1063.

Kumar, Sunil and Pattanayek, S K (2019) Effect of Multiaxial Tensile Deformation on the Mechanical Properties of Semiflexible Polymeric Samples. The Journal of Physical Chemistry B, 123(43) . pp. 9238-9249.

Kumar, Sunil and Pattanayek, S K (2019) Force induced removal of an encapsulated semi-flexible polymer from single walled carbon nanotube. The Journal of Chemical Physics, 516 . pp. 22-27.

Kumar, Sunil and Pattanayek, S K and Das, S K (2019) Reactivity-Controlled Aggregation of Graphene Nanoflakes in Aluminum Matrix: Atomistic Molecular Dynamics Simulation. Journal of Physics Chemistry C, 123(29) . pp. 18017-18027.

Kumar, Sunil (2018) Wettability and Structural Evolution of Gold over a Single-Walled Carbon Nanotube: An Atomistic Investigation. The Journal of Physical Chemistry C, 122 (IF-4.484). pp. 16346-16355.

Kumar, Sunil and Das, Suchandan K and Pattanayek, S K (2018) Evolution of nanostructure and mechanical properties of silver nano-particle in the confined region between graphene sheets: An atomistic investigation. Computational Materials Science, 152 (2.292). pp. 393-407.

Kumar, Sunil (2018) Spreading and orientation of silver nano-drop over a flat graphene substrate: An atomistic investigation. Carbon, 138 (IF-7.082). pp. 26-41.

Kumar, Sunil and Pattanayek, Sudip K. (2018) Semi-flexible polymer engendered aggregation/dispersion of fullerene (C60) nano-particles: An atomistic investigation. Chemical Physics Letters, 701 (1.815). pp. 22-29.

Kumar, Sunil (2018) Graphene Engendered aluminium crystal growth and mechanical properties of its composite: An atomistic investigation. Materials Chemistry and Physics, 201 (IF-2.084). pp. 41-48.

Kumar, Sunil and Das, Suchandan K (2018) 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 (IF-3.133). pp. 626-638.

Kumar, Sunil and Mandal, G K and Rajnikanth, V and Misra, S and Ghosh Chowdhury, S and Srivastava, V C (2018) Effect of cooling media on microstructure and mechanical properties of Nb/Ti containing microalloyed steel. Journal of Metallurgy and Materials Science, 60(1) . pp. 1-12.

Paul, Surajit Kumar and Kumar, Sunil and Tarafder, S (2018) Orientation-dependent crack-tip blunting and crack propagation in a single crystal BCC iron. Bulletin of Material Science, 41(6) (IF-1.264). pp. 1-6.

Kumar, Sunil and Srivastava, V C and Mandal, G K and Pattanayek, S K and Sahoo, K L (2017) Single-Walled Carbon Nanotube Engendered Pseudo-1D Morphologies of Silver Nanowire. Journal of Physical Chemistry C, 121 (IF-4.536). pp. 20468-20480.

Paul, Surajit Kumar and Kumar, Sunil and Tarafder, S (2017) Effect of loading conditions on nucleation of nano void and failure of nanocrystalline aluminum: An atomistic investigation. Engineering Fracture Mechanics, 176 (IF-2.151). pp. 257-262.

Kumar, Sunil (2017) Effect of applied force and atomic organization of copper on its adhesion to a graphene substrate. RSC Advances, 7(40) (IF-3.108). pp. 25118-25131.

Kumar, Sunil (2017) Graphene engendered 2-D structural morphology of aluminium atoms: Molecular dynamics simulation study. Materials Chemistry and Physics, 202 (2.084). pp. 329-339.

Kumar, Sunil and Das, Suchandan K (2017) A triaxial tensile deformation-induced nanoporous structure of aluminium: estimation of surface area, solid volume, and dimensionless aspect ratio. Physical chemistry chemical physics, 19(31) (IF-4.123). pp. 21024-21032.

Book or NML Publication

Kumar, Sunil and Mishra, T (2020) Organization of Bio-Molecules in Bulk and Over the Nano-Substrate: Perspective to the Molecular Dynamics Simulations. In: Biointerface Engineering: Prospects in Medical Diagnostics and Drug Delivery. Springer Nature Singapore, pp. 149-166.

Project Reports

Kumar, Sunil and Tiwari, S K (2012) Multilayer Alloy Coating on Mild Steel for Corrosion Resistance. Training Report (TR). CSIR -NML, Jamshedpur. (Unpublished)