A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes

Wei, Boyu; Kong, Ning; Zhang, Jie; Hong, Zhenjun; Zhu, Hongtao; Zhuang, Yuan; Wang, Bo

doi:10.1007/s40544-020-0459-z

Cited by 22 publications

(14 citation statements)

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“…Until now, it is a pity that simulation and modeling are seldomly used in depicting tribological processes and revealing the improved tribological performance in MMNCs. To fully understand the anti-wear mechanisms in MMNCs, simulation and modeling from atomic scale [104] up to macroscopic phenomena would be useful [162,163].…”

Section: Modeling and Simulationmentioning

confidence: 99%

“…With the development of first-principle calculation [164], molecular dynamics (MD) simulation [60,163], etc., the MMNC tribological performance could be better correlated with the enhanced mechanical properties like microscopic pull out force [60], as shown in Fig. 18.…”

Section: Modeling and Simulationmentioning

confidence: 99%

“…These simulation and modeling techniques could potentially explain the nanophase-induced reduced plowing effects, changed wear modes, etc. by observing the microstructural interaction like dislocations [60], grain boundaries [163], atom reconfiguration [104], and energy landscapes [164]. With the detailed simulation and modeling, the effects of the coupled factors, including test environments [165] could be decoupled and minimized to help determine the real tribological performance in MMNCs [166].…”

Section: Modeling and Simulationmentioning

confidence: 99%

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Metal matrix nanocomposites in tribology: Manufacturing, performance, and mechanisms

et al. 2022

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Metal matrix nanocomposites (MMNCs) become irreplaceable in tribology industries, due to their supreme mechanical properties and satisfactory tribological behavior. However, due to the dual complexity of MMNC systems and tribological process, the anti-friction and anti-wear mechanisms are unclear, and the subsequent tribological performance prediction and design of MMNCs are not easily possible: A critical up-to-date review is needed for MMNCs in tribology. This review systematically summarized the fabrication, manufacturing, and processing techniques for high-quality MMNC bulk and surface coating materials in tribology. Then, important factors determining the tribological performance (mainly anti-friction evaluation by the coefficient of friction (CoF) and anti-wear assessment with wear rate) in MMNCs have been investigated thoroughly, and the correlations have been analyzed to reveal their potential coupling/synergetic roles of tuning tribological behavior of MMNCs. Most importantly, this review combined the classical metal/alloy friction and wear theories and adapted them to give a (semi-)quantitative description of the detailed mechanisms of improved anti-friction and anti-wear performance in MMNCs. To guarantee the universal applications of these mechanisms, their links with the analyzed influencing factors (e.g., loading forces) and characteristic features like tribo-film have been clarified. This approach forms a solid basis for understanding, predicting, and engineering MMNCs’ tribological behavior, instead of pure phenomenology and experimental observation. Later, the pathway to achieve a broader application for MMNCs in tribo-related fields like smart materials, biomedical devices, energy storage, and electronics has been concisely discussed, with the focus on the potential development of modeling, experimental, and theoretical techniques in MMNCs’ tribological processes. In general, this review tries to elucidate the complex tribo-performances of MMNCs in a fundamentally universal yet straightforward way, and the discussion and summary in this review for the tribological performance in MMNCs could become a useful supplementary to and an insightful guidance for the current MMNC tribology study, research, and engineering innovations.

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Section: Modeling and Simulationmentioning

confidence: 99%

Section: Modeling and Simulationmentioning

confidence: 99%

Section: Modeling and Simulationmentioning

confidence: 99%

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Metal matrix nanocomposites in tribology: Manufacturing, performance, and mechanisms

et al. 2022

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“…Adapted from ( Li H. et al, 2017 ) (F) MD simulations about the change of friction force and the average number of broken Mo‐S bonds during the scratching process of the MoS 2 without (f 1 ) and with (f 2 ) defects. Adapted from Wei et al (2021) .…”

Section: Two-dimensional Materialsmentioning

confidence: 99%

Role of Interfacial Bonding in Tribochemical Wear

et al. 2022

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Tribochemical wear of contact materials is an important issue in science and engineering. Understanding the mechanisms of tribochemical wear at an atomic scale is favorable to avoid device failure, improve the durability of materials, and even achieve ultra-precision manufacturing. Hence, this article reviews some of the latest developments of tribochemical wear of typical materials at micro/nano-scale that are commonly used as solid lubricants, tribo-elements, or structural materials of the micro-electromechanical devices, focusing on their universal mechanisms based on the studies from experiments and numerical simulations. Particular focus is given to the fact that the friction-induced formation of interfacial bonding plays a critical role in the wear of frictional systems at the atomic scale.

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“…The atomic structure defects exist inevitably by nature, which have a substantial effect on physicochemical properties of 2D materials, such as optical, [12] electrical, [5,13] tribological, [14,15] and mechanical [16] properties. The accurate defect quantification is an essential task to achieve the reliable material property control.…”

Section: Introductionmentioning

confidence: 99%

Microscopical Quantification of Ion‐Induced Nanodefects in Monolayer MoS₂ Based on Differential Reflectance

Qiu

Wang

et al. 2021

Adv Materials Inter

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microscope [17,18] (EM), inherent disadvantages of EM method have limited its application due to the expensive and timeconsuming characteristics, and the incapability of large-area test. Another kind of characterizing method is to analyze defects reversely from the measured changes of material properties. For example, the defect density in graphene is evaluated by the Raman intensity ratio of I D /I G , [19,20] and defects in WSe 2 are monitored by the photoluminescence (PL) intensity ratio of I Xb /I X0 . [21] However, the indirect characterizing method still requires an acquisition time of seconds per pixel. Thus, it is necessary to explore a new defect quantification method which is cheap, practical, and of high-speed imaging for large-area online inspection tasks. Here, we develop a practical defect quantification method based on differential reflectance spectroscopy (DRS) mapping. DRS is widely used in thin film characterization, [22][23][24][25][26] and it is well known for the ability to characterize large-area inhomogeneity of stacked thin films at sublayer precision. [27] For example, DRS was used for real-time monitoring of 2D semiconductor film growth. [22,24] As for high-speed imaging, the hyperspectral imaging [28,29] (HSI) technique could be combined as DRS measures the strong first-order optical signal. By taking a series of photos in response to different spectral ranges, HSI performs rapid spectral imaging beyond point-scanning methods. In this paper, a typical 2D semiconductor MoS 2 is selected as the model material due to easy calibration of its defect density by the defect activated Raman characteristic peak at ≈227 cm -1 . [30][31][32] Defects with different densities are induced into monolayer MoS 2 (ML-MoS 2 ) by focused ion beam (FIB) irradiation. The large-area defect mapping of ML-MoS 2 is performed by monochromatic photos after the DRS study. The feasibility of DRS mapping is demonstrated which is expected to achieve high-throughput online detect inspection for 2D materials. Results and Discussion Raman Characterization of ML-MoS 2 Defect SamplesAs a nondestructive vibrational spectroscopy technique, Raman spectroscopy can provide detailed information about chemical structure, phase, crystallinity, and molecular interactions. The layer-number identification of mechanically exfoliated MoS 2 samples was performed by Raman microscopyThe defect engineering is widely used in 2D heterostructure devices as nanodefects (like atomic vacancies) significantly alter the electronic, mechanical, and optical properties of 2D nanomaterials. Defect inspection on large-area samples at video rates is requisite for semiconductor manufacturing industry. Take molybdenum disulfide (MoS 2 ) as the study case, the differential reflectance spectroscopy (DRS) is first introduced into nanodefect quantification of 2D materials. Different densities of defects are induced by ion bombardment and the average interdefect distance L D is calibrated using Raman spectra analysis. The evolutions of several defect-induced DR...

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A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes

Cited by 22 publications

References 61 publications

Metal matrix nanocomposites in tribology: Manufacturing, performance, and mechanisms

Metal matrix nanocomposites in tribology: Manufacturing, performance, and mechanisms

Role of Interfacial Bonding in Tribochemical Wear

Microscopical Quantification of Ion‐Induced Nanodefects in Monolayer MoS₂ Based on Differential Reflectance

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A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes

Cited by 22 publications

References 61 publications

Metal matrix nanocomposites in tribology: Manufacturing, performance, and mechanisms

Metal matrix nanocomposites in tribology: Manufacturing, performance, and mechanisms

Role of Interfacial Bonding in Tribochemical Wear

Microscopical Quantification of Ion‐Induced Nanodefects in Monolayer MoS2 Based on Differential Reflectance

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Product

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Microscopical Quantification of Ion‐Induced Nanodefects in Monolayer MoS₂ Based on Differential Reflectance