Effect of the Graphitization Mechanism on the Friction and Wear Behavior of DLC Films Based on Molecular Dynamics Simulations

Zhu, Xiaohua; Wang, Xiaowen; Liu, Yunhai; Luo, Yiyao; Liu, Yi; Zhang, Hu; Zhao, Xiaohan

doi:10.1021/acs.langmuir.2c02925

Cited by 21 publications

(13 citation statements)

References 47 publications

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“…The P e is the minimum when the atomic spacing reaches equilibrium . The evolution of P e is helpful to determine when the system is in equilibrium to distinguish the friction state of the system . The left half of the P e curve has a significant decreasing trend (Figures S2j–l and S3j–l), indicating that the system is more compact with the decrease of the atomic spacing.…”

Section: Resultsmentioning

confidence: 99%

“…41 The evolution of P e is helpful to determine when the system is in equilibrium to distinguish the friction state of the system. 42 The left half of the P e curve has a significant decreasing trend (Figures S2j−l and S3j−l), indicating that the system is more compact with the decrease of the atomic spacing. This corresponds to the sliding simulation gradually approaching the stable node (Figures S2a−f and S3a−f), which belongs to the pre-friction period.…”

Section: ■ Materials and Methodsmentioning

confidence: 94%

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Probing the Effect of Cuttings Particle Size on the Friction and Wear Mechanism at the Casing Friction Interface: A Molecular Dynamics Study

Zhu,

Wang,

Liu

et al. 2023

Langmuir

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Cuttings particles of different sizes in the drilling fluid are the leading cause of wear at the casing and drill pipe joints, and diamond-like carbon (DLC) films have excellent research potential in reducing tool wear due to their ultra-low friction coefficient and high wear resistance. In this paper, a corresponding molecular dynamics model was developed using LAMMPS to investigate the effect of silica particles of different particle sizes on the friction and wear mechanisms of Fe/DLC friction pairs at the microscale. The results show that small cuttings particles in a dry environment are more likely to cause interface wear between the casing and drill pipe joint, while in a water environment, the opposite is true. The main reason is that small particles in a dry environment have smaller contact areas and greater indentation depth, leading to greater wear at the friction interface. The movement of water molecules in the water environment will promote the composite movement of large particles, thereby exacerbating the wear of the interface. Moreover, the relevant research results at the micro-scale indicate that DLC films can effectively reduce wear, which provides theoretical support for its application in drill pipe joints.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Materials and Methodsmentioning

confidence: 94%

Probing the Effect of Cuttings Particle Size on the Friction and Wear Mechanism at the Casing Friction Interface: A Molecular Dynamics Study

Zhu,

Wang,

Liu

et al. 2023

Langmuir

Self Cite

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show abstract

“…The friction force ( F f ) is obtained by summing the tangential forces of all of the Cr atoms in the upper rigid layer along the x direction. , Figure shows that the change of F f under different loadings and the water-lubricated friction of Cr and crystalline cellulose can be divided into three stages. In the beginning of sliding (stage I, S I ), F f and its fluctuation magnitude are quite high.…”

Section: Resultsmentioning

confidence: 99%

“…The friction generated by the relative sliding of Cr films and cellulose leads to a change of the temperature at contact interfaces, which varies at different loadings and sliding velocities, as shown in Figure . In this study, the temperature (Temp) is calculated by E k = 3 k B × Temp/2, where E k is the kinetic energy of atoms and is obtained by the mass and velocity of atoms and k B is the Boltzmann constant. , The temperature oscillates violently caused by high F f at the beginning and then rises to stabilize and fluctuate within a certain range. It is noticed that the temperature changes more drastically with increasing velocity at the beginning, with the largest value even higher than the stabilization.…”

Section: Resultsmentioning

confidence: 99%

“…The main component of cotton is natural cellulose, and now, the studies of friction and wear of cellulose with different materials mainly use experimental methods. − The advantage of experimental methods is that the results are realistic and reliable; however, the experimental environment is limited, and it is difficult to provide a clear understanding of friction and wear because it is not revealed at the atomic level. The environment of molecular dynamics (MD) simulations is more extensive, and it can compensate for experimental shortcomings and show the friction and wear mechanism at the atomic level. − Pan et al , and Hao et al investigated the friction properties between Fe and polytetrafluoroethylene (PTFE) by combining experimental and MD simulations and, more importantly, confirmed the correctness and reliability of MD simulations on friction and wear. At the same time, using MD simulations to study the properties of cellulose − and water acting as lubricants to reduce friction and wear − is still valid and feasible.…”

Section: Introductionmentioning

confidence: 99%

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Friction Properties of Crystalline Cellulose Sliding on Chromium under Water Lubrication Based on Molecular Dynamics Simulations

Fan,

Geng,

Wang

et al. 2023

Langmuir

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This work studies the friction and wear behaviors of chromium (hard material) and crystalline cellulose (soft material) under water lubrication considering the loading and sliding velocity on friction force, temperature of contact interfaces, and worn atoms from the atomic view. The change of friction force with sliding velocity is greater than that with loading, and it is easier to obtain a stable friction at high velocity. The average friction force in the stabilization gradually increases with loading and velocity, and the growth rate decreases with loading, while it increases with velocity. The temperature of contact interfaces at the beginning of sliding changes rapidly and gradually becomes stable. The temperature at the stabilization increases distinctly with velocity, while it does not change much with loading. Both the loading and sliding velocity have an important influence on the wear of soft material; it is noticed that the amount of worn atoms increases close to exponentially with velocity and linearly with loading. However, the wear of hard material changes less with increasing loading and sliding velocity.

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Polymer‐Protein Assemblies with Tunable Vesicular and Hierarchical Nanostructures

Ren,

Guan,

2024

Angewandte Chemie

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The construction of variable structured multi‐protein nano‐assemblies is of great interest for the development of protein‐based therapeutic systems. This study showcases the synthesis of polymer‐protein assemblies with tunable structure like single‐ and multi‐layer polymer‐crosslinked protein vesicles, Janus protein vesicles and other hierarchical‐structured assemblies by utilizing a dynamic template‐assistant intermittent‐assembly approach. The generalization of the methodology helps the protein assemblies to gain notable functional complexity. And we demonstrate compelling evidence highlighting the substantial impact of the topological morphology of protein nanoaggregates on their cellular uptake capacity.

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Effect of the Graphitization Mechanism on the Friction and Wear Behavior of DLC Films Based on Molecular Dynamics Simulations

Cited by 21 publications

References 47 publications

Probing the Effect of Cuttings Particle Size on the Friction and Wear Mechanism at the Casing Friction Interface: A Molecular Dynamics Study

Probing the Effect of Cuttings Particle Size on the Friction and Wear Mechanism at the Casing Friction Interface: A Molecular Dynamics Study

Friction Properties of Crystalline Cellulose Sliding on Chromium under Water Lubrication Based on Molecular Dynamics Simulations

Polymer‐Protein Assemblies with Tunable Vesicular and Hierarchical Nanostructures

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