Atomic erosion behavior and influence mechanism during erosion impact of TiC coatings with different crystal faces in oil production environment: A molecular dynamics simulation

Probing the Atomic Erosion Wear Characteristics of TiC-Coated Fe in Oil and Gas Drilling Environments

“…At this point, the workpiece enters the plastic deformation stage, evolving numerous defect structures within the workpiece, accompanied by energy consumption and stress release, leading to irregular fluctuations in the curve. 20 At the same time, the load fluctuations in the X-direction become more intense as the depth increases (Figure 2b), but the fluctuations between the indenter and TiC-coated Fe are not as intense as those with pure Fe. Additionally, the normal load of the indenter increases with the increase in the number of atomic layers and significantly surpasses that of the pure Fe system when the thickness reaches 10 atomic layers in the TiC-coated Fe system (Figure 2a, blue curve and cyan curve).…”

“…This results in a rapid increase in the load–displacement curve in the Z -direction with a decreasing slope and intense oscillations. At this point, the workpiece enters the plastic deformation stage, evolving numerous defect structures within the workpiece, accompanied by energy consumption and stress release, leading to irregular fluctuations in the curve . At the same time, the load fluctuations in the X -direction become more intense as the depth increases (Figure b), but the fluctuations between the indenter and TiC-coated Fe are not as intense as those with pure Fe.…”

“…Therefore, all subsequent references to TiC coatings in this paper pertain to the (111) crystal plane orientation. 20 Therefore, this study chooses single-crystal Fe as the substrate to investigate the wear and erosion resistance of the TiC(111) coating. Diamond tip particles with a radius of 30 Å are positioned 10 Å above the substrate and treated as rigid bodies in nanoindentation and scratch simulations.…”

“…It should be noted that previous studies have demonstrated that the TiC(111) crystal plane coating exhibits superior hardness, wear resistance, and erosion resistance compared to the (001) and (110) crystal planes. Therefore, all subsequent references to TiC coatings in this paper pertain to the (111) crystal plane orientation . Therefore, this study chooses single-crystal Fe as the substrate to investigate the wear and erosion resistance of the TiC(111) coating.…”

Exploring the evolution mechanisms of indentation and scratching on diamond structural transformation based on molecular dynamics

“…Therefore, system equilibrium during the relaxation stage can be judged by considering the total energy and total temperature of the system. When the total energy of the system stabilizes and the temperature reaches the set value, we consider the system to have reached equilibrium [55,56]. The system temperature and energy during the relaxation process are shown in figure 2.…”