Optimization of electroless Ni B-nanodiamond coating corrosion resistance and understanding the nanodiamonds role on pitting corrosion behavior using shot noise theory and molecular dynamic simulation

Effect of Surface Activation on the Microstructure and Corrosion Resistance of MAO/Ni-P Composite Coating on AZ91D Magnesium Alloy

“…The open circuit potential of the mixed electrode system depends not only on the corrosion potentials of the Ni-P layer, the MAO layer, and the magnesium matrix, but also the surface area ratio of the galvanic coupling of the outer layer and the magnesium substrate [ 21 ]. It has been reported that different coatings lead to the different adsorption energy of the chloride ions on the surface of the coating, which results in different corrosion rates [ 40 ]. For the early stages of the immersion process, The Cl − ions cannot penetrate the coating and enter the substrate because the outermost electroless nickel layer was complete and compact with low porosity.…”

Corrosion Inhibition Mechanism of Ultra-High-Temperature Acidizing Corrosion Inhibitor for 2205 Duplex Stainless Steel

“…The charge group method was used for the interaction between van der Waals and Coulomb, and the truncation radius was 9.5 nm. The charge of each anion and cation was assigned by using the current method, and the universal force field was applied to define the potential energy [ 33 ].…”

“…Molecular simulation techniques play an important role in the modern characterization of materials [ 32 ], which are beneficial to the study of corrosion behavior by increasing the understanding of chemical and physical processes at the molecular and atomic levels. Cl − has a great influence on metal pitting corrosion, and the molecular dynamics (MD) simulations method is also used to study the pitting behavior of Cl − on metals [ 32 , 33 , 34 , 35 , 36 ]. By using molecular dynamics simulation, Sepehr Y et al [ 33 ] studied the pitting corrosion behavior of nano-diamonds.…”

“…Cl − has a great influence on metal pitting corrosion, and the molecular dynamics (MD) simulations method is also used to study the pitting behavior of Cl − on metals [ 32 , 33 , 34 , 35 , 36 ]. By using molecular dynamics simulation, Sepehr Y et al [ 33 ] studied the pitting corrosion behavior of nano-diamonds. Chen et al [ 34 ], using MD simulation, found that the mixed corrosive anions (Cl − and HSO 3 − ) adsorbed much more strongly to the passive film, and their diffusion coefficient was also significantly improved compared to the solution containing only one kind of anion.…”

The effects of electrodeposition temperature on morphology and corrosion resistance of calcium phosphorus coatings on magnesium alloy: comparative experimental and molecular dynamics simulation studies

“…Molecular dynamics simulation (MD) has become an effective strategy to study the structure, properties and interface bonding mode of metal/inorganic (organic) coating composite systems in the past decade. [21][22][23] Wang et al used MD to study the effect of the second phase on protein adsorption on Mg alloys surface and the results revealed the adsorption mechanism of proteins varied with the charge distribution of the second phase, the interaction between surface and proteins, and the distribution of water molecules. 24 Shang et al investigated the adsorption mechanism of three organic molecules on magnesium-based electroless Ni-P coating, and found the adsorption energy and the binding energy between the coating and organic molecules might affected by oxygen-containing functional groups.…”