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5. Experimental Investigation and Characterization of Friction Stir Spot-Welded Dissimilar Aluminum Copper Metallic Lap Joints

Author

Devarajan, Karunakaran, primary, Karuppanan, Venkatachalapathy Vellaiyappan Sangli, additional, Duraisamy, Thirumalaikumarasamy, additional, Bhavirisetty, Srinivasa Kumar, additional, Laxmaiah, Gundagani, additional, Chauhan, Pankaj Kumar, additional, Razak, Abdul, additional, Asif, Mohammad, additional, and Linul, Emanoil, additional

Published
2023
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9. Sulfide (H 2 S) Corrosion Modeling of Cr-Doped Iron (Fe) Using a Molecular Modeling Approach.

Author

Asif M, Khan F, Hawboldt K, and Anwar S

Abstract

This work presents the use of density functional theory to study the adsorption/dissociation mechanism of the H 2 S molecule at the Cr-doped iron (Fe(100)) surface. It is observed that H 2 S is weakly adsorbed on Cr-doped Fe; however, the dissociated products are strongly chemisorbed. The most feasible path for disassociation of HS is favorable at Fe compared to Cr-doped Fe. This study also shows that H 2 S dissociation is a kinetically facile process, and the hydrogen diffusion follows the tortuous path. This study helps better understand the sulfide corrosion mechanism and its impact, which would help design effective corrosion prevention coatings., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Published
2023
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