Study on nanoscale friction and wear mechanism of nickel-based single crystal superalloy by molecular dynamics simulations

Zhu, Zongxiao; Jiao, Shi; Wang, Hui; Wang, Linjun; Zheng, M.Y.; Zhu, Shengyu; Cheng, Jun; Yang, Jun

doi:10.1016/j.triboint.2021.107322

Cited by 47 publications

(10 citation statements)

References 42 publications

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“…The overall variation of the friction force with temperature was quite small. We can get the same conclusion from the simulated results reported by Zhu et al [18]. It should be noted that the simulations were performed at different temperatures in NVT (constant-volume, constant-temperature) ensemble, which means the frictional heat was not concerned since the temperature was constant during a simulation of friction.…”

Section: Frictional Forcesupporting

confidence: 85%

“…In addition, the simulation conditions have also been shown to exhibit an important influence on the friction process [14][15][16]. Very recently, Zhu et al [17,18] studied the friction and wear mechanisms of the nanocrystalline coating and single crystal of the nickel-based superalloy by means of molecular dynamics simulations. Shi et al [19] reported the friction and wear properties of Cu/Ta bilayer and multilayer during nano-scratch process.…”

Section: Introductionmentioning

confidence: 99%

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Atomic simulations of nanoscale friction behavior in polycrystalline alloy 690

Zhou

Bai

Hou

et al. 2022

Mater. Res. Express

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Fretting wear is one of the most important failure forms of alloy 690 heat exchanger tubes in nuclear power plants. The key to understanding the fretting wear of alloys lies in the friction process, especially at the atomic scale. In this study, molecular dynamics simulations were performed on alloy 690 to investigate the nanoscale friction behavior and its influencing factors, laying a foundation for further understanding the fretting wear mechanism of alloy 690. The friction processes of a single-asperity (probe) on a smooth polycrystalline surface (matrix) were investigated by molecular dynamics simulations at the atomic scale, and the variation law of friction force during the friction process was calculated. The factors that affected the friction force were discussed, including the pressing depth, temperature, and sliding speed of the probe, and the friction force was positively correlated with the pressing depth and sliding speed of the probe, while the temperature had little effect on the friction force. Observations of the generation and evolution of dislocations during the friction process and related factors such as grinding grooves and wear debris were also reported.

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Section: Frictional Forcesupporting

confidence: 85%

Section: Introductionmentioning

confidence: 99%

Atomic simulations of nanoscale friction behavior in polycrystalline alloy 690

Zhou

Bai

Hou

et al. 2022

Mater. Res. Express

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show abstract

“…Many scholars have used molecular dynamics to study the frictional wear properties of materials on the microscopic level [10][11][12][13][14][15][16][17][18][19][20]. Zhu et al studied the nano-friction behavior of nickel-based single crystal superalloy by using molecular dynamics simulation method, and discovered that repeated friction could reduce the volume and number of stacked defects [21]. Xie et al investigated the mechanical behavior and deformation mechanism of γ-TiAl alloy during high temperature nanosliding, and revealed that γ-TiAl alloy exhibited excellent wear resistance at high temperatures [22].…”

Section: Introductionmentioning

confidence: 99%

Study on the microscopic wear mechanism of nanoparticles sliding stainless steel

Sun

Yuan

Zheng

et al. 2023

Modelling Simul. Mater. Sci. Eng.

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In order to reveal the nanoscale friction behaviour and wear mechanism of 304 stainless steel during nano particles sliding, this study investigated the effects of sliding velocity and depth on the surface morphology, temperature, mechanical forces, coefficient of friction and sub-surface damage (SSD) of stainless steel by employing molecular dynamics simulations. The results demonstrate that the atoms symmetrically stack on both sides of the sliding grooves during the sliding process. Sliding friction, friction coefficient, defective atoms, phase changing degree and the length of dislocation line increases as the indentation depth of the abrasives, while sliding velocity had little impact on them. Temperature in sliding area and the squeezing effect distinctly increases with the indentation depth the abrasives, which leads more serious damage on the surface of workpiece. The damage layer with a sliding depth of 20 Å can reach about 57.2 Å at a sliding velocity of 100m/s, and it has a maximum value of 41.1 Å at a sliding distance of 50 Å. However, increasing sliding velocity can decline the surface SSD layer, which was at a sliding depth of 20 Å. The microscopic atoms evolution presented in the study uncovers the nano-sliding wear mechanism of stainless steel.

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“…MD simulation is a tool to study material changes at the nanoscale, which not only enables quantitative analysis at the microscopic molecular or even atomic level, but also observes the details of the dynamic changes within the material, and is now widely used in scientific research fields such as medicine, chemistry, and materials surface engineering [29][30][31][32][33]. Ma et al examined the surface sliding behaviour of Ni/Cu bilayers at the nanoscale, and found that the sliding force increases with the increase of sliding radius or depth when the sliding head radius or depth is certain [34].…”

Section: Introductionmentioning

confidence: 99%

Study on the surface microtexture microscopic friction and wear characteristics of 304 stainless steel

Sun,

Yuan,

Tang

et al. 2023

Modelling Simul. Mater. Sci. Eng.

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In order to reveal the friction behaviour and wear mechanism of nanoscale textures on the friction pair of 304 stainless steel, molecular dynamics simulations were firstly used to investigate the effects of smooth and textured surfaces on the tribological properties of the stainless steel substrate, and then focus on the effects of sliding velocity and depth on the surface morphology, mechanical force, friction coefficient, anisotropy, stress, temperature and dislocations of the textured substrate. The results show that the temperature, friction, stress, and dislocation line length of the textured surface are relatively smaller than those of the non-textured surface, and the textured surface has a smaller and more stable friction factor, which ultimately leads to a reduction of the friction factor by about 0.090. When the sliding distance is 120 Å, the number of defective atoms in the textured substrate is reduced by 12.9%, and its anisotropy is more stable. At the same indentation depth, the average friction coefficient, temperature and anisotropy increase significantly with increasing sliding velocity. The average friction coefficient is maximum when the sliding velocity is increased to 400 m s−1, with a value of about 0.833. The sliding friction, friction coefficient, dislocation line length, number of defect atoms, number of stacked atoms, stress, temperature and anisotropy factor increase with increasing depth of abrasive indentation. The average friction coefficient is minimum at a sliding depth of 4 Å, with a value of about 0.556, and the number of defective atoms is reduced by 83.2%. This indicates that textured surface treatment of 304 stainless steel and selection of appropriate sliding parameters can effectively reduce the wear during the friction process and improve the wear resistance of the substrate.

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Study on nanoscale friction and wear mechanism of nickel-based single crystal superalloy by molecular dynamics simulations

Cited by 47 publications

References 42 publications

Atomic simulations of nanoscale friction behavior in polycrystalline alloy 690

Atomic simulations of nanoscale friction behavior in polycrystalline alloy 690

Study on the microscopic wear mechanism of nanoparticles sliding stainless steel

Study on the surface microtexture microscopic friction and wear characteristics of 304 stainless steel

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