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- W4387305317 abstract "Abstract The frontiers of material corrosion research are transitioning from macroscopic corrosion to the micro or even nanoscale. However, nanomaterials contain a large number of simulated atoms, which brings great difficulties to the research of corrosion mechanisms and material development. Therefore, under the framework of lattice dynamics, combined with nano-thermodynamic theory, the electrochemical Butler-Volmer (BV) equation is developed to simplify the investigation of the anodic dissolution behavior of nanomaterials. The results show that the difference between the lattice parameters optimized using the General Utility Lattice Program (GULP) and the Cambridge Sequential Total Energy Package (CASTEP) results is 0.01 Å, and the variation in cohesion and surface energies is only 0.001 eV and 0.005 eV/Å 2 . Meanwhile, the anodic dissolution rates of Magnesium (Mg) at the (0001), (10一10), and (11一20) crystal planes calculated from the BV model based on lattice dynamics are in agreement with the results derived from first principles. During the active dissolution zone, the corrosion potential increases from − 7.53 V to -5.44 V, and the corrosion current density decreases from 47.48 A/cm 2 to 29.97 A/cm 2 as the Mg nanoparticles size increases from 1 nm to 6 nm. The improved model quantifies the relationship between surface properties and corrosion behavior through the size effect of nanoparticles, which enriches the way of studying electrochemical properties at the nanoscale." @default.
- W4387305317 created "2023-10-04" @default.
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- W4387305317 date "2023-10-03" @default.
- W4387305317 modified "2023-10-05" @default.
- W4387305317 title "Electrochemical model of anodic dissolution for magnesium nanoparticles" @default.
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- W4387305317 doi "https://doi.org/10.21203/rs.3.rs-3381132/v1" @default.
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