Effect of cuttings particle content on the tribological behavior of Fe/DLC at casing and drill pipe joints: A molecular dynamics study

Zhu, Xiaohua; Wang, Xiaowen; Liu, Yunhai; Luo, Yiyao; Zhang, Hu; Li, Bo; Mao, Dongbi

doi:10.1016/j.molliq.2024.124006

Cited by 4 publications

(1 citation statement)

References 66 publications

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“…Molecular dynamics (MD) can conduct in-depth atomic analysis and has been widely used in the study of diamond friction, such as the study of micro-structure evolution [12], atomic motion [13], etc. In addition, MD has also been used to study various phenomena in processes such as nanoindentation [14,15], friction [16][17][18], and nanocutting [19][20][21]. For example, Shah et al [22] studied the nanoindentation of diamond through MD, and obtained temperature changes and friction coefficients through sliding contact simulation.…”

Section: Introductionmentioning

confidence: 99%

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

Tong,

Yang,

Liu

et al. 2024

Modelling Simul. Mater. Sci. Eng.

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Diamond, possessing high hardness and chemical stability, finds wide-ranging applications across various industries. However, during the friction process, a graphitization phenomenon may occur, which changes the mechanical properties of the diamond. In this study, molecular dynamics simulation was performed using SiC ball to investigate the influence of indentation depth and temperature on the graphitization transition of the diamond surface. The results showed that the dominant factor affecting the sp2 hybridization ratio during the indentation process was stress, while the temperature was the dominant factor during sliding. The results of this study can be used to understand the friction and wear behavior of diamonds and SiC ball and provide theoretical references for the industrial application of diamonds.

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Section: Introductionmentioning

confidence: 99%

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

Tong,

Yang,

Liu

et al. 2024

Modelling Simul. Mater. Sci. Eng.

Self Cite

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Study on the Erosion Resistance of Different TiN Crystal Planes by Molecular Dynamics

Yang,

Tong,

Liu

et al. 2024

Langmuir

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In this study, we innovatively combined the Fe–Ti–N potential function file to construct simulation models of different crystal facets of TiN/Fe ((001), (110), and (111)), which had not been previously explored. Employing molecular dynamics (MD) simulations, the research investigates the microscale differences in erosion resistance and surface properties of various TiN crystal planes under continuous impacts at varying velocities and angles. The results indicate that both surface wear and internal defects of the model increase with the impact velocity. Both TiN(110) and TiN(111) exhibit damage on their surfaces and interiors, with a larger wear range. In contrast, TiN(001), due to its superior elastic recovery capability, maintains a better surface condition, showing significantly less wear compared to TiN(110) and TiN(111). This disparity in performance among different crystal planes is attributed to variations in molecular gaps between planes, bonding points within the lattice, types of forces, and modes of action. Further research revealed that the wear volume increased with the rise in impact angle, reaching its peak at 90°. Regardless of the impact angle, TiN(001) consistently outperformed TiN(110) and TiN(111). The aim of the research is to compare the surface and internal defects of different crystal facets at the microscopic level, thereby selecting superior crystal facets and providing theoretical reference for the application of TiN materials in practical fracturing environments.

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Molecular Dynamics Investigation of Erosion Behavior and Mechanism of TiN Coatings at the Nanoscale: Implications for Wear in Oil Fracturing Environment

Tong,

Yang,

Liu

et al. 2024

ACS Appl. Nano Mater.

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Due to its high strength and toughness, the TiN coating is considered one of the most promising coatings for resistance to particle impact and erosion wear in oil fracturing environments. In this study, based on the combined potential file of the Fe−Ti−N ternary system, nanoscale simulation models of TiN/Fe with different crystal planes ((001), ( 110), ( 111)) are established for the first time. Molecular dynamics simulations (MD) were used to investigate the effects and mechanisms of wear resistance and erosion resistance of the TiN coating under nanoscale indentation, scratching, and continuous impact. The difference in the surface properties of TiN coatings with different crystal faces is emphasized. The results indicate that there is no absolute best crystal plane. Due to the differences in molecular gaps between different crystal planes, surface groups on the lattice interface with the external environment, binding points between molecules within the lattice, types of forces, and modes of action, different crystal planes exhibit different surface properties under different wear forms. In the indentation and scratch stage, TiN(111) has better stability and greater hardness due to the structural advantages of its own triangular lattice, which can resist external loads, produce less wear debris, and basically does not appear with cracks and other surface damage except scratches. During the impact phase, TiN(001) exhibits greater elastic resilience, maintaining surface stability even after continuous particle impact.

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Effect of cuttings particle content on the tribological behavior of Fe/DLC at casing and drill pipe joints: A molecular dynamics study

Cited by 4 publications

References 66 publications

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

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

Study on the Erosion Resistance of Different TiN Crystal Planes by Molecular Dynamics

Molecular Dynamics Investigation of Erosion Behavior and Mechanism of TiN Coatings at the Nanoscale: Implications for Wear in Oil Fracturing Environment

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