Low friction of diamond sliding against Al2O3 ceramic ball based on the first principles calculations

Zhang, Renhui; Lu, Zhibin; Shi, Wei; Leng, Senlin; Tang, Bang-Cheng

doi:10.1016/j.surfcoat.2015.10.062

Cited by 12 publications

(6 citation statements)

References 44 publications

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“…Qi and Cui et al reported that the minimum W sep corresponds to a low friction coefficient under the static state [ 21 , 22 ]. In our previous work, we confirmed that the theory obtained by Qi and Cui et al is also applied for dynamic state [ 20 ]. As shown in Figure 5 a–c, W sep has no concern with interface distance and exhibits small values less than 0.012 J/m 2 .…”

Section: Resultssupporting

confidence: 88%

“…Combining Figure 5 , Figure 6 and Figure 9 , we can confirm that the structural superlubricity could be achieved for graphene/antimonene heterojunctions. In our previous work, the maximin shear force (

) could correspond to the extremely static friction force [ 20 ]. The friction coefficient could be calculated by:

.…”

Section: Resultsmentioning

confidence: 99%

“…In our previous work, adhesion between two contact surfaces could be well characterized using the work of separation ( W sep ) [ 20 ]. Thus, the W sep is calculated as follows:

where

and

is the total energy of antimonene and graphene,

is the total energy of graphene/antimonene heterojunctions, and A is the interfacial area.…”

Section: Methodsmentioning

confidence: 99%

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The Unusual Tribological Properties of Graphene/Antimonene Heterojunctions: A First-Principles Investigation

Jiang

Zhang

2021

Materials

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The extremely low friction between incommensurate two-dimensional (2D) materials has drawn more attention in the recent years. Structural superlubricity is a fascinating tribological phenomenon that is achieved in 2D heterojunctions despite the aligned or misaligned contacts that occur due to the disappearance of the lateral interactions between two incommensurate contacting surfaces. In this study, using the first-principles method, we report the computational realization of structural superlubricity for graphene/antimonene heterojunctions at the nanoscale. The calculated results clearly demonstrate that structural superlubricity between graphene and antimonene monolayers could be achieved under the misaligned contacts. The structural superlubricity is mainly attributed to lower work of separation, which maintains superlow friction coefficients.

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Section: Resultssupporting

confidence: 88%

) could correspond to the extremely static friction force [ 20 ]. The friction coefficient could be calculated by:

.…”

Section: Resultsmentioning

confidence: 99%

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The Unusual Tribological Properties of Graphene/Antimonene Heterojunctions: A First-Principles Investigation

Jiang

Zhang

2021

Materials

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“…Polishing is routinely done to reduce as-grown diamond surface roughness [87]. Tribology of such polished surfaces has been studied in detail but there is lack of literature [88][89][90] against silicon nitride ceramics [91] under machine oil lubrication [92]. Moreover, due to very hard and rough top surface of CVD grown PCD, researchers are hesitant to probe the as-grown PCD surface with their expensive Berkovich or other indenters [93][94][95].…”

Section: Introductionmentioning

confidence: 99%

Polycrystalline Diamond Characterisations for High End Technologies

Mallik¹

2020

Some Aspects of Diamonds in Scientific Research and High Technology

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Characterisations of polycrystalline diamond (PCD) coatings have routinely been done over the past three decades of diamond research, but there is less number of reports on some of its very unique properties. For example, diamond is the hardest known material and, in probing such hard surfaces with any indenter tip, it may lead to damage of the instrument. Due to such chances of experimental accidents, researchers have performed very few attempts in evaluating the mechanical properties of PCDs. In the present work, some of these very special properties of diamond that are less reported in the literature are being re-investigated. PCDs were characterised by photoluminescence (PL), Fourier transform infrared (FTIR) spectroscopy, transmission electron microscope (TEM), and X-ray diffraction (XRD) techniques. The diamond surface was also polished to bring the as-grown micron level of surface roughness (detrimental for wear application) down to few hundreds of nanometer. The tribological properties of such polished and smooth surfaces were found to be appropriate for wear protective coating application. This chapter revisits some of the unreported issues in the synthesis and characterisation of PCD coatings grown on Si wafer by the innovative 915 MHz microwave plasma chemical vapour deposition (MPCVD) technique.

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“…Theoretical methods used in this paper have been employed to predict the properties of many materials successfully in our previous work [10][11][12][13][14]. Actually, the simulation is an effective method to investigate materials properties [15][16][17][18].We hope that the calculated results will contribute to the Materials Genome Initiative project which can accelerate advanced materials discovery [19] and will also extend the range of applications of Ca 2 Nb 2 O 7 .…”

Section: Introductionmentioning

confidence: 99%

Electronic structure, anisotropic elastic and thermal properties of monoclinic Ca2Nb2O7

Yang¹,

Zhao²,

Shahid³

et al. 2016

Ceramics International

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The electronic structure, anisotropic elastic and thermal properties of monoclinic Ca 2 Nb 2 O 7 have been investigated by density functional theory (DFT) calculations and further are verified by experimental results. It has been shown that the monoclinic Ca 2 Nb 2 O 7 is a direct band gap insulator with the calculated band gap of 3.07 eV which is comparable with the experimental value of 3.33 eV. The bottom of the conduction band (CB) is dominated by the 4d orbitals of the Nb atoms and the 2p orbitals of O atoms, while the top of valence band (VB) mainly consists of the 2p orbitals of O atoms. Calculated sound velocities of different directions show that the faster mixed mode (v +) is much larger than that of slower mixed mode (v-) and pure transverse mode (v t) in both [100] and [001] directions. The pure longitudinal mode v l has the greatest sound velocity among the three acoustic modes in the [010] direction. According to Clarke's model, monoclinic Ca 2 Nb 2 O 7 has low limit thermal conductivity with 1.43 W•m-1 •K-1 at high temperature, and minimum thermal conductivity in (100),(110),(010) and (001) planes sensitively depends on the directions.

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Low friction of diamond sliding against Al2O3 ceramic ball based on the first principles calculations

Cited by 12 publications

References 44 publications

The Unusual Tribological Properties of Graphene/Antimonene Heterojunctions: A First-Principles Investigation

The Unusual Tribological Properties of Graphene/Antimonene Heterojunctions: A First-Principles Investigation

Polycrystalline Diamond Characterisations for High End Technologies

Electronic structure, anisotropic elastic and thermal properties of monoclinic Ca2Nb2O7

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