Molecular dynamics simulation and experimental investigation of structural transformation and graphitization in diamond during friction

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

“…After sliding, due to bond breaking and recombination, open rings, five-atom rings, and six-atom rings appear (as shown by the red circles in figure 8(b)). These six-atom rings are the newly generated graphite rings [32], which microscopically confirm the surface phase transition and graphitization of diamond [61], consistent with the experimental detection of increased graphite content in CVD diamond film friction performance research [62].…”

“…Subsequently, fz increases with indentation depth, while fx changes very little. From figure 10, it can be observed that when sliding at depths of 5, 7, and 10 Å, fz initially decreases significantly, which is due to the wear of the SiC surface atoms and their accumulation on the rear surface, resulting in a decrease in indentation depth [32]. In addition, the trend of the µ curve is consistent with that of the fx curve.…”

“…The distance between the SiC ball and the diamond body surface is 10 Å, and the specific parameters are shown in table 1. The model parameters were referenced from previously published literature [31,32]. It is important to note that this article primarily focuses on the wear of diamond surfaces, therefore neglecting the wear of SiC spheres.…”

“…With the increasing maturity of SiC technology, it has important applications in industrial manufacturing, defense equipment, and civilian products. Using silicon carbide as a indenter to simulate the friction and wear process of diamond is representative, and related research has been conducted previously [31][32][33]. However, these studies have shown that hard SiC particles can affect the surface of diamond, but they do not specifically explain the main influencing factors of diamond wear by hard SiC particles under different relative motions.…”

Molecular dynamics simulation of sliding friction behavior of titanium aluminum alloy with vacancy defects

“…The friction force will initially experience a period of time to grow, eventually stabilize, and have some fluctuation due to the release of stress energy caused by deformation, according to research by Li et al [5] on iron aluminum alloys at various temperatures, friction speeds, aluminum contents, and wear depths. Xie et al [6] systematically studied the temperaturedependent mechanical-heat alloy nanowire response of the γ-TiAl alloy, further demonstrating that the rise in temperature leads to an increase in the number of high-stress atoms and also causes the increase in wear atoms.…”