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Lalit Kumar Meena

affiliation not provided to SSRN

  • affiliation not provided to SSRN

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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
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Abstract:

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