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Nikhil Kumar

CSIR-National Metallurgical Laboratory

SCHOLARLY PAPERS

3

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144

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Scholarly Papers (3)

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1.

Recent Advances in Mechanistic Insights into CO2 Hydrogenation to Methanol and Formic acid

Number of pages: 70 Posted: 27 May 2026
ARSALAN HAIDER, Xiaozhi Qi, Nikhil Kumar, Yu Qian, Sobia Tariq, Yizhuo Li, Shaotao Bai, Baode Ma, Zhongxin Chen and Runtong Zhang
Shenzhen Polytechnic University, affiliation not provided to SSRN, CSIR-National Metallurgical Laboratory, affiliation not provided to SSRN, Shenzhen Polytechnic University, Hunan University, Shenzhen Polytechnic University, Shenzhen Polytechnic University, affiliation not provided to SSRN and Shenzhen Polytechnic University
Downloads 58 (1,436,435)

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2.

Temperature Accelerated Reactive Molecular Dynamics Simulation of Magnesium Nanoparticles during Hydrolysis: Core-Shell Evolution and Implications for Hydrogen Storage

Number of pages: 43 Posted: 09 Sep 2025
Sunil Kumar, Ammasi Ayyandurai, Nikhil Kumar, Kuldeep Singh Gour, Swati Bishnoi and Sudip K. Pattanayek
Academy of Scientific and Innovative Research (AcSIR), affiliation not provided to SSRN, CSIR-National Metallurgical Laboratory, affiliation not provided to SSRN, IIT Delhi and IIT Delhi
Downloads 50 (1,133,231)

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Reactive molecular dynamics simulation, Magnesium hydride, Water, ReaxFF force field, Core-shell model

3.

Atomistic Simulation and Experimental Study of Water Induced Iron Corrosion and its Prevention Mechanism: Estimation of Excess Pair Entropy and Atomic Charge Migration at Interface

Number of pages: 54 Posted: 18 Mar 2025
Sunil Kumar, Nikhil Kumar, Lalit Kumar Meena, Arun Kumar, Roshan Kumar, Vivek Singh Yadav and Lalit Pandey
Academy of Scientific and Innovative Research (AcSIR), CSIR-National Metallurgical Laboratory, affiliation not provided to SSRN, National Institute of Technology Jamshedpur, affiliation not provided to SSRN, IIT Guwahati and Indian Institute of Technology Guwahati
Downloads 36 (1,249,711)

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Reactive Molecular Dynamic Simulation, Density Functional Theory, Iron, Corrosion Inhibitor, Xanthione, HOMO-LUMO