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Sliding electrical contacts are commonly applied in electrical connectors, such as conductive slip rings, pantographs, switches, and commutators. However, they suffer from several unavoidable problems caused by friction and wear, including high energy consumption, intermittent failures, limited life, and even failure disasters. In this study, we realized an ultralow-friction and long-distance wear-free state, defined as structural superlubricity (SSL), between sliding electrical interfaces under ambient conditions. A conductive SSL can be implemented in experiments with single-crystal graphite flakes on flattened metals, such as Au and Ni films. Furthermore, we found that depositing a 2 to 3-nm-thick diamond-like carbon (DLC) film on a nickel alloy can lead to an even lower resistivity than that of metals alone. In addition, we revealed the mechanism by which DLC films can improve the conductivity between graphite and metals through density functional-theory simulations. In addition, we prepared a prototype of the SSL slip ring and proved that it possessed ultralow friction, was wear-free, and had no intermittent failures. Consequently, our results demonstrate a unique type of electrical-contact interface for applications requiring conduction while sliding. Thus, we opened the door for SSL electromechanical coupling. [ABSTRACT FROM AUTHOR]

The current-carrying friction characteristics are crucial for the performance of a sliding electrical contact, which plays critical roles in numerous electrical machines and devices. However, these characteristics are influenced by multiple factors such as material surface quality, chemical reactions, and atmospheric environment, leading to a challenge for researchers to comprehensively consider these impacts. Structural superlubricity (SSL), a state of nearly zero friction and no wear between contact solid surfaces, provides an ideal experimental system for these studies. Here, with microscale graphite flakes on atomic-flattened Au surface under applied voltages, we observed two opposite friction phenomena, depending only on whether the edge of graphite flake was in contact with the Au substrate. When in contact the friction force would increase with an increasing voltage, otherwise, the friction force would decrease. Notably, when the voltage was turned off, the friction force quickly recovered to its original level, indicating the absence of wear. Through atmosphere control and molecular dynamics simulations, we revealed the mechanism to be the different roles played by the water molecules confined at the interface or adsorbed near the edges. Our experimental results demonstrate the remarkable tunable and robust frictional properties of SSL under an electrical field, providing an ideal system for the fundamental research of not only sliding electrical contacts, but also novel devices which demand tunable frictions. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) van der Waals layered materials have been widely used as lubricant. Penta-graphene (PG), a 2D carbon allotrope exclusively composed of irregular carbon pentagons has recently been predicted to have superlubricating property. In the present study, by combining the molecular dynamics simulation and first-principles calculations, we investigated the frictional property of PG in both commensurate and incommensurate contacts. Our calculations show the ultra-low friction at the interface of relatively rotated bilayer PG with twist angles of more than 10° away from the commensurate configuration. Meanwhile, our calculations demonstrate the isotropy of the ultra-low friction at the interface of incommensurate contact, in contrast to the anisotropic of the commensurate contacting interface. Additionally, the evolution of friction force and the fluctuation of potential energy along sliding path correlate closely with the interface's structure. The energetics and charge density explain the difference between the friction at the interfaces of the commensurate and incommensurate contacts. Not only that, we found the correlation between the intrinsic structural feature and interlayer binding energy. Importantly, our findings on the retainment of the ultra-low friction under work conditions indicates that the superlubricating state of PG has good practical adaptability. [ABSTRACT FROM AUTHOR]

Structural superlubricity (SSL) refers to a state of ultralow friction and zero wear when two solid surfaces slide against each other. Recent investigations have identified amorphous carbon at the edge of the graphite mesa as the primary source of friction in such SSL systems. Here, the tensile stress of metal thin film is exploited to engineer vertically conductive edge-warping graphite mesas (EWGM). Through this approach, robust SSL performance is realized, demonstrated by sliding an 8 µm side length square EWGM on an atomically smooth Au substrate for 10000 cycles at a constant voltage of 1 mV. In this SSL system, differential friction coefficients lower than 1.5 × 10−4 are achieved, with static contact resistance between EWGM and Au substrate as low as 28 Ω and sliding contact resistance as low as 32 Ω. Moreover, the EWGM exhibits SSL behavior on polished Si wafer substrates. Furthermore, because of the no-edge contact with the substrate during sliding, friction is independent of the sliding speed of the EWGM. This study presents the first successful fabrication of conductive EWGM. Remarkably, in both EWGM-Au and EWGM-Si SSL systems, the measured frictions are more than one order of magnitude lower than those of ordinary self-retracting graphite mesas with no-edge warping, and no wear is observed during extended current-carrying sliding. Overall, these findings establish a solid groundwork for the future realization of macroscale conductive SSL systems. [ABSTRACT FROM AUTHOR]

Structural superlubricity refers to the lubrication state in which the friction between two crystalline surfaces in incommensurate contact is nearly zero; this has become an important branch in recent tribological research. Two-dimensional (2D) materials with structural superlubricity such as graphene, MoS2, h-BN, and alike, which possess unique layered structures and excellent friction behavior, will bring significant advances in the development of high-performance microelectromechanical systems (MEMS), as well as in space exploration, space transportation, precision manufacturing, and high-end equipment. Herein, the review mainly introduces the tribological properties of structural superlubricity among typical 2D layered materials and summarizes in detail the underlying mechanisms responsible for superlubricity on sliding surfaces and the influencing factors including the size and layer effect, elasticity effect, moiré superlattice, edge effect, and other external factors like normal load, velocity, and temperature, etc. Finally, the difficulties in achieving robust superlubricity from micro to macroscale were focused on, and the prospects and suggestions were discussed. [ABSTRACT FROM AUTHOR]

The gradient nanostructure is machined on the aluminum (Al) alloy by the two-dimensional ultrasonic surface burnishing process (2D-USBP). The mechanism of why the gradient nanostructure enhances wear resistance is investigated. The mechanical properties and microstructure characterization for the gradient nanostructure are performed by operating a nanoindenter, transmission electron microscopy (TEM), and electron backscattered diffraction (EBSD). Dry wear tests are performed on the samples before and after machining to evaluate the wear resistance and mechanisms. The effect of the gradient nanostructure on the wear resistance is explored by developing the crystal plasticity (CP) finite element and molecular dynamics (MD) models. The characterization results show that the 2D-USBP sample prepared a gradient structure of ∼600 µm thick on the aluminum surface, increasing the surface hardness from 1.13 to 1.71 GPa and reducing the elastic modulus from 78.84 to 70.14 GPa. The optimization of the surface microstructure and the increase of the mechanical properties effectively enhance the wear resistance of the sample, with 41.20%, 39.07%, and 54.58% of the wear scar areas for the 2D-USBP treated samples to the original samples under 5, 10, and 15 N loads, respectively. The gradient nanostructure hinders the slip of dislocations inside the sample during the wear process and reduces the size and scope of plastic deformation; meanwhile, the resistance to deformation, adhesion, and crack initiation and propagation of the sample surface is improved, resulting in enhanced wear resistance. [ABSTRACT FROM AUTHOR]

Abstract The gradient nanostructure is machined on the aluminum (Al) alloy by the two-dimensional ultrasonic surface burnishing process (2D-USBP). The mechanism of why the gradient nanostructure enhances wear resistance is investigated. The mechanical properties and microstructure characterization for the gradient nanostructure are performed by operating a nanoindenter, transmission electron microscopy (TEM), and electron backscattered diffraction (EBSD). Dry wear tests are performed on the samples before and after machining to evaluate the wear resistance and mechanisms. The effect of the gradient nanostructure on the wear resistance is explored by developing the crystal plasticity (CP) finite element and molecular dynamics (MD) models. The characterization results show that the 2D-USBP sample prepared a gradient structure of ∼600 µm thick on the aluminum surface, increasing the surface hardness from 1.13 to 1.71 GPa and reducing the elastic modulus from 78.84 to 70.14 GPa. The optimization of the surface microstructure and the increase of the mechanical properties effectively enhance the wear resistance of the sample, with 41.20%, 39.07%, and 54.58% of the wear scar areas for the 2D-USBP treated samples to the original samples under 5, 10, and 15 N loads, respectively. The gradient nanostructure hinders the slip of dislocations inside the sample during the wear process and reduces the size and scope of plastic deformation; meanwhile, the resistance to deformation, adhesion, and crack initiation and propagation of the sample surface is improved, resulting in enhanced wear resistance.

Structural superlubricity refers to the lubrication state in which the friction between two crystalline surfaces in incommensurate contact is nearly zero; this has become an important branch in recent tribological research. Two-dimensional (2D) materials with structural superlubricity such as graphene, MoS2, h-BN, and alike, which possess unique layered structures and excellent friction behavior, will bring significant advances in the development of high-performance microelectromechanical systems (MEMS), as well as in space exploration, space transportation, precision manufacturing, and high-end equipment. Herein, the review mainly introduces the tribological properties of structural superlubricity among typical 2D layered materials and summarizes in detail the underlying mechanisms responsible for superlubricity on sliding surfaces and the influencing factors including the size and layer effect, elasticity effect, moiré superlattice, edge effect, and other external factors like normal load, velocity, and temperature, etc. Finally, the difficulties in achieving robust superlubricity from micro to macroscale were focused on, and the prospects and suggestions were discussed.

Revealing the evolution of nanoscale third bodies confined between sliding surfaces is essential to understanding the friction and electrical properties for solid contacts. Here, with graphite/graphite contacts in structural superlubricity, a state of no wear and ultralow friction, we in situ reveal the morphological evolution of a third body layer introduced by air through measuring friction and conductance during cyclic hold-slide tests. The directional transport of confined molecules causes apparent elastic deformation of the third body layer, leading to local graphite/graphite direct contact. Together with a proposed quantum tunneling effective thickness ( d eff ) model, a constant volume of third bodies with a sub-nm thickness is observed. Our work provides a feasible approach to investigate the kinetics of substances under nanoscale confinement.

Structural superlubricity, a state of zero wear and ultralow friction between two sliding solid contact surfaces, offers transformative potential for NEMS/MEMS switches, relays, logic devices, and sensors. Ultralow resistivity in two-dimensional (2D)/three-dimensional (3D) van der Waals heterostructures is critical for most applications. Using high-vacuum thermal evaporation of Au, we fabricate defect-free single-crystal graphite/Au van der Waals heterostructures in the SSL state, achieving a record-low resistivity of 2.542 × 10 -12 Ω m 2 , which is 6 times lower than that of prior reports. The resistance remains stable under varying loads and speeds, attributed to the all-atom contact and defect-free single-crystal graphite. Thermal evaporation of Au preserves the single-crystal graphite 2D lattice, enabling lower resistivity. The 2D/3D SSL heterostructure is simpler, more stable, and broadly more applicable than 2D/2D systems. It establishes the electrical foundation for applying superlubric technology in micro-nano devices and provides a platform for studying fundamental behaviors at 2D/3D sliding interfaces, including electron friction, phonon dissipation, and electron transfer.

Structural superlubricity is a theoretical concept stating that the friction force is absent between two rigid, incommensurate crystalline surfaces. However, elasticity of the contact pairs could modify the lattice registry at interfaces by nucleating local slips, favoring commeasure. The validity of structural superlubricity is thus concerned for large-scale systems where the energy cost of elastic distortion to break the lattice registry is low. In this work, we study the size dependence of superlubricity between single-crystal graphite flakes. Molecular dynamics simulations show that with nucleation and propagation of out-of-plane dislocations and strained solitons at Bernal interfaces, the friction force is reduced by one order of magnitude. Elastic distortion is much weaker for non-Bernal or incommensurate ones, remaining notable only at the ends of contact. Lattice self-organization at small twist angles perturbs the state of structural superlubricity through a reconstructed potential energy surface. Theoretical models are developed to illustrate and predict the interfacial elastoplastic behaviors at length scales beyond those in the simulations. These results validate the rigid assumption for graphitic superlubricity systems at microscale, and reveal the intrinsic channels of mechanical energy dissipation. The understandings lay the ground for the design of structural superlubricity applications. [ABSTRACT FROM AUTHOR]

With the development of advanced manufacturing, superlubricity, with a friction coefficient smaller than 0.001, is highly expected at the contacting surfaces. It has been revealed that the Moiré pattern formed between two crystalline surfaces could take a crucial effect on structural superlubricity. Whereas how to tune tribological properties by manipulating the Moiré patterns is still not well studied and understood. In this work, a misfit interval statistical method (MISM) is developed to identify the geometrical characteristics of a Moiré pattern quantitatively, in which the distribution of lattice misfits can act as a good indicator to demonstrate (non-)superlubricity at the interfaces. Both the contact size (D) and the twist angle (θ) substantially affect the distribution of misfits and hence play a dominant role in affecting frictional properties. Furthermore, a parameter-free model is suggested to distinguish the regimes between non-superlubricity and superlubricity in the D- θ diagram. For the case of twisting bilayer graphene, the prediction made by this model are in good agreement with molecular dynamics (MD) simulation results. The model is generic to the other homogenous and heterogeneous interfaces, and the results in this work provide a new perspective on tuning interfacial superlubricity based on the Moiré patterns. [Display omitted] [ABSTRACT FROM AUTHOR]

Friction at sliding interfaces, even in the atomistically smooth limit, can proceed through many energy dissipation channels, such as phononic and electronic excitation. These processes are often entangled and difficult to distinguish, eliminate, and control, especially in the presence of wear. Structural superlubricity (SSL) is a wear-free state with ultralow friction that closes most of the dissipation channels, except for electronic friction, which raises a critical concern of how to effectively eliminate and control such a channel. In this work, we construct a Schottky junction between a microscale graphite flake and a doped silicon substrate in the SSL state to address the issue and achieve wide-range (by 6×), continuous, and reversible electronic friction tuning by changing the bias voltage. No wear or oxidation at the sliding interfaces was observed, and the ultralow friction coefficient indicated that electronic friction dominated the friction tuning. The mechanism of electronic friction is elucidated by perturbative finite element analysis, which shows that migration of the space-charge region leads to drift and diffusion of charge carriers at Schottky junctions, resulting in energy dissipation.

Structural superlubricity is a special frictionless contact in which two crystals are in incommensurate arrangement such that relative in-plane translation is associated with vanishing energy barrier crossing. So far, it has been realized in multilayer graphene and other van der Waals (2D crystals with hexagonal or triangular crystalline symmetries, leading to isotropic frictionless contacts. Directional structural superlubricity, to date unrealized in 2D systems, is possible when the reciprocal lattices of the two crystals coincide in one direction only. Here, directional structural superlubricity a α-bismuthene/graphite van der Waals system is evidenced, manifested by spontaneous hopping of the islands over hundreds of nanometers at room temperature, resolved by low-energy electron microscopy and supported by registry simulations. Statistical analysis of individual and collective α-bismuthene islands populations reveal a heavy-tailed distribution of the hopping lengths and sticking times indicative of Lévy flight dynamics, largely unobserved in condensed-matter systems., (© 2024 Wiley‐VCH GmbH.)

Contact engineering enhances electronic device performance and functions but often involves costly, inconvenient fabrication and material replacement processes. We develop an in situ , reversible, full-device-scale approach to reconfigurable 2D van der Waals contacts. Ideal p-type Schottky contacts free from surface dangling bonds and Fermi-level pinning are constructed at structurally superlubric graphite-MoS 2 interfaces. Pressure control is introduced, beyond a threshold of which tunneling across the contact can be activated and amplified at higher loads. Record-high figures of merits such an ideality factor nearing 1 and an off-state current of 10 -11 A were reported. The concept of on-device moving contacts is demonstrated through a wearless Schottky generator, operating with an optimized overall efficiency of 50% in converting weak, random external stimuli into electricity. The device combines generator and pressure-sensor functions, achieving a high current density of 31 A/m 2 and withstanding over 120,000 cycles, making it ideal for neuromorphic computing and mechanosensing applications.

Structural superlubricity (SSL), a state of ultra-low friction between two solid contacts, is a fascinating phenomenon in modern tribology. With extensive molecular dynamics simulations, for systems showing SSL, here we discover two different dependences between friction and normal load by varying the size of the loading area. The essence behind the observations stems from the coupling between the normal load and the edge effect of SSL systems. Keeping normal load constant, we find that by reducing the loading area, the friction can be reduced by more than 65% compared to the large loading area cases. Based on the discoveries, a theoretical model is proposed to describe the correlation between the size of the loading area and friction. Our results reveal the importance of loading conditions in the friction of systems showing SSL, and provide an effective way to reduce and control friction.

Wear-free sliding between two contacted solid surfaces is the ultimate goal in the effort to extend the lifetime of mechanical devices, especially when it comes to inventing new types of micro-electromechanical systems where wear is often a major obstacle. Here we report experimental observations of wear-free sliding for a micrometer-sized graphite flake on a diamond-like-carbon (DLC) surface under ambient conditions with speeds up to 2.5 m/s, and over a distance of 100 km. The coefficient of friction (COF) between the microscale graphite flake, a van der Waals (vdW) layered material and DLC, a non-vdW-layered material, is measured to be of the order of |${10^{ - 3}}$|⁠ , which belongs to the superlubric regime. Such ultra-low COFs are also demonstrated for a microscale graphite flake sliding on six other kinds of non-vdW-layered materials with sub-nanometer roughness. With a synergistic analysis approach, we reveal the underlying mechanism to be the combination of interfacial vdW interaction, atomic-smooth interfaces and the low normal stiffness of the graphite flake. These features guarantee a persistent full contact of the interface with weak interaction, which contributes to the ultra-low COFs. Together with the extremely high in-plane strength of graphene, wear-free sliding is achieved. Our results broaden the scope of superlubricity and promote its wider application in the future. [ABSTRACT FROM AUTHOR]

Graphullerene (GF), an extended quasi-two-dimensional network of C 60 molecules, is proposed as a multicontact platform for constructing superlubric interfaces with layered materials. Such interfaces are predicted to present very small and comparable sliding energy corrugation regardless of the identity of the underlying flat layered material surface. It is shown that, beyond the geometrical effect, covalent interlinking between the C 60 molecules results in reduction of the sliding energy barrier. For extended GF supercells, negligible sliding energy barriers are found along all sliding directions considered, even when compared to the case of the robust superlubric graphene/h-BN heterojunction. This suggests that multicontact architectures can be used to design ultrasuperlubric interfaces, where superlubricity may persist under extreme sliding conditions.

Super microgenerator (SMG) refers to a generator that can efficiently convert extremely weak external stimuli into electrical energy and has a small size, high power density and long lifespan, offer ground-breaking solutions for powering wearable devices, wireless distributed sensors and implanted medical equipment. However, the friction and wear between the interfaces of ordinary microgenerator results in an extremely low lifespan. Here, we present a prototype of SMGs based on a 2D-2D (graphite-MoS 2 ) Schottky contact in the state of structural superlubricity (no wear and nearly zero friction between two contacted solid surfaces). What is even more interesting is when the graphite flake is slid from the bulk to the edge of MoS 2 , the output current will enhance from 31 to 56 A m -2 . Through the I-V curve measurement, we found that the conductive channel across the junction can be activated and further enhanced at the edge of MoS 2 compare to bulk, which provide the explanation for the above-mentioned edge enhancement of power generation. Above results provide the design principles of high-performance SMGs based on 2D-2D Schottky junctions., (© 2024 IOP Publishing Ltd.)

The structural superlubricity (SSL), a state of near-zero friction between two contacted solid surfaces, has been attracting rapidly increasing research interest since it was realized in microscale graphite in 2012. An obvious question concerns the implications of SSL for micro- and nanoscale devices such as actuators. The simplest actuators are based on the application of a normal load; here we show that this leads to remarkable dynamical phenomena in microscale graphite mesas. Under an increasing normal load, we observe mechanical instabilities leading to dynamical states, the first where the loaded mesa suddenly ejects a thin flake and the second characterized by peculiar oscillations, during which a flake repeatedly pops out of the mesa and retracts back. The measured ejection speeds are extraordinarily high (maximum of 294 m/s), and correspond to ultrahigh accelerations (maximum of 1.1x1010 m/s²). These observations are rationalized using a simple model, which takes into account SSL of graphite contacts and sample microstructure and considers a competition between the elastic and interfacial energies that defines the dynamical phase diagram of the system. Analyzing the observed flake ejection and oscillations, we conclude that our system exhibits a high speed in SSL, a low friction coefficient of 3.6x10-6, and a high quality factor of 1.3x107 compared with what has been reported in literature. Our experimental discoveries and theoretical findings suggest a route for development of SSL-based devices such as high-frequency oscillators with ultrahigh quality factors and optomechanical switches, where retractable or oscillating mirrors are required. [ABSTRACT FROM AUTHOR]

Surface defects and their mutual interactions are anticipated to affect the superlubric sliding of incommensurate layered material interfaces. Atomistic understanding of this phenomenon is limited due to the high computational cost of ab initio simulations and the absence of reliable classical force-fields for molecular dynamics simulations of defected systems. To address this, we present a machine-learning potential (MLP) for bilayer defected graphene, utilizing state-of-the-art graph neural networks trained against many-body dispersion corrected density functional theory calculations under iterative configuration space exploration. The developed MLP is utilized to study the impact of interlayer bonding on the friction of bilayer defected graphene interfaces. While a mild effect on the sliding dynamics of aligned graphene interfaces is observed, the friction coefficients of incommensurate graphene interfaces are found to significantly increase due to interlayer bonding, nearly pushing the system out of the superlubric regime. The methodology utilized herein is of general nature and can be adapted to describe other homogeneous and heterogeneous defected layered material interfaces.

Classical friction laws traditionally assume that the friction between solid pairs remains constant with a given normal load. However, our study has unveiled a remarkable deviation from conventional wisdom. In this paper, we discovered that altering the loading mode of micro graphite flakes led to significant changes in the lateral friction under identical normal loads. By adding a cap onto a single graphite flake to disperse the normal load applied by an atomic force microscope (AFM) tip, we were able to distribute the concentrated force. Astonishingly, our results demonstrated a notable 4-7 times increase in friction as a consequence of load dispersion. Finite element analysis (FEA) further confirmed that the increase in compressive stress at the edges of the graphite flake, resulting from load dispersion, led to a significant increase in friction. This study underscores the critical role of the loading mode in microscale friction dynamics, challenging the prevailing notion that friction remains static with a given normal force. Importantly, our research sheds light on the potential for achieving macroscale structural superlubricity (SSL) by assembling microscale SSL graphite flakes by using a larger cap.

Two-dimensional (2D) van der Waals (vdW) layered materials have attracted considerable attention due to their potential applications in various fields. Among these materials, graphite is widely employed to achieve structural superlubricity (SSL), where the interfacial friction between two solids is almost negligible and the wear is zero. However, the development of integrated SSL systems using graphite flakes still faces a major obstacle stemming from the inherent delamination-induced instability in vdW layered materials. To address this issue, we propose a nondestructive filtering technique that utilizes electrical measurement to identify robust graphite flakes without delamination. Our experimental results confirm that all the filtered graphite flakes exhibit delamination-free behavior after more than 7000 cycles of sliding on a series of 2D and 3D substrates. Besides, we employ three types of characterizing methods to confirm that the filtering process does not impair the graphite flakes. Moreover, with focused ion beam (FIB) assisted slicing characterization and statistical analysis, we have discovered that all of the filtered flakes possess a graphite layer thickness below 100 nm. This is consistent with the thickness of the single crystalline graphite layer of our samples reported in the literature, suggesting the absence of incommensurate interfaces in the filtered graphite flakes. Our work contributes to a deeper understanding of the relationship between graphite conductance and incommensurate interfaces. In addition, we present a possible solution to address the delamination problem in layered materials, and this technique shows the potential to characterize the internal microstructure of grains and the distribution of grain boundaries in vdW materials on a large scale.

Manipulation techniques are the key to measuring fundamental properties of layered materials and their monolayers (2D materials) on the micro- and nanoscale as well as a necessity to the solution of relevant existing challenges. An example is the challenge against upscaling structural superlubricity, a phenomenon of near-zero friction and wear in solid contacts. To date, the largest single structural superlubric contact only has a size of a few tens of micrometers, which is achieved on graphite mesa, a system that has shown microscale superlubricity. The first obstacle against extending the contact size is the lack of suitable manipulation techniques. Here, a micro-dome technique is demonstrated on graphite mesas by shearing contacts 2500 times larger in area than previously possible. With this technique, submillimeter graphite mesas are opened, characterized for the first time, and compared to their microscale counterparts. Interfacial structures, which are possibly related to the failure of superlubricity, are observed: commensurate grains, external steps, and carbon aggregates. Furthermore, a proof-of-concept mechanical model is developed to understand how the micro-dome technique works and to predict its limits. Finally, a dual-axis force measuring device is developed and integrated with the micro-dome technique to measure the normal and lateral forces when shearing submillimeter mesas. These results provide a platform technique for future research on structural superlubricity on different scales and manipulation of structures of layered materials in general.

Since Penta-Graphene (PG), a two-dimensional (2D) carbon allotrope exclusively composed of five-membered rings, was proposed, its electronic structure, thermal conductivity, and other properties have been extensively investigated based on density functional theory (DFT) and molecular dynamics (MD) methods, but its interlayer frictional properties have not been reported. This work is based on the molecular dynamics (MD) simulation method to study the phenomenon of interlayer robust structural superlubricity of Penta-Graphene van der Waals layered structures, including Penta-Graphene/Penta-Graphene (PG/PG), Penta-Graphene/Graphene (PG/G), and Penta-Graphene/MoS 2 (PG/MoS 2). Furthermore, we demonstrate the dominance of edge effects in the friction process. Based on our statistical results, it is found that the frictional contribution per atom in the edge region is at least one order of magnitude greater than the contribution of the in-plane atoms. In addition, the factors affecting the frictional properties of the interlayer are investigated, and the associated physical mechanisms of friction are discussed. This work may apply to other pentagonal heterostructure systems, which could help in the future exploration of novel structural superlubricity systems. Meanwhile, this work not only effectively increases the variety of structural superlubricity materials but also expands the application of two-dimensional pentagonal materials in the field of nanofriction. [ABSTRACT FROM AUTHOR]

Two-dimensional layered materials arise enormous research enthusiasm for achieving superlubricity. We theoretically study the atomic friction behaviors of the heterogeneous graphene/GaSe bilayer system under normal load and defect/functionalization effects through first-principles methods. The heterogeneous graphene/GaSe exhibits much lower friction and shear strength than the homogeneous graphene/graphene and GaSe/GaSe, and the introduced OH-functionalized graphene can further reduce the friction. The ultralow friction coefficients of 0.0033∼0.080 indicate the heterogeneous graphene/GaSe is a promising solid lubricant with superlubricity. The larger electrostatic repulsion caused by the incommensurate interface of the heterogeneous bilayer system and the less variation of the charge density differences along the whole sliding is responsible for the lower friction. • The heterogeneous graphene/GaSe is a solid superlubricity predicted by DFT simulation. • Lower friction is detected in heterogeneous bilayer than homogeneous counterparts due to the incommensurate interface. • OH-functionalizing graphene can further reduce the friction. [ABSTRACT FROM AUTHOR]

Smoothed molecular dynamics (SMD) method is an efficient atomic simulation method by introducing mapping strategy between atoms and one set of background mesh into molecular dynamics (MD) procedure. Much larger feasible time step can be adopted in SMD method because of the smoothing effect for high-frequency modes of motion. A dual-mesh SMD method is proposed to improve the accuracy of graphene simulation. The multiple-time-step (MTS) integration scheme is adopted for MD–SMD coupling and an adaptive scheme for identifying MD region is developed. An alternating load balancing strategy is proposed to ensure high parallel efficiency when the MTS coupling method is executed on parallel computers. The proposed method is validated with several typical examples of single- and multiple-layer graphene as well as the graphene structural superlubricity problems. • The dual-mesh SMD (DM-SMD) method is proposed for graphene. • An adaptive MD–SMD algorithm is designed for molecular simulation of friction. • An alternating load balancing strategy is proposed for multiple-time-step methods. • The improved MD–SMD method successfully analyzes the structural superlubricity problem. [ABSTRACT FROM AUTHOR]

Structural superlubricity is a fundamentally important research topic in the area of tribology. Van der Waals heterojunctions of 2D materials are an ideal system for achieving structural superlubricity and possessing potentially a wide range of applications in the future due to their ultra-flat and incommensurate crystal interfaces. Here we briefly introduce the origin and mechanism of structural superlubricity and summarize the representative experimental results, in which the coefficient of friction has achieved the order of 10 -5 . Furthermore, we analyze the factors affecting structural superlubricity of 2D materials, including dynamic reconstruction of interfaces, edge effects, interfacial adsorption, etc, and give a perspective on how to realize the macroscopic expansion and where it can be applied in practice., (© 2021 IOP Publishing Ltd.)

Structural superlubricity is a fascinating physical phenomenon that plays a significant role in many scientific and technological fields. Here, we report the robust superlubricating state achieved on the interface of relatively rotated graphdiyne (GDY) bilayers; such an interface with ultralow friction is formed at nearly arbitrary rotation angles and sustained at temperatures up to 300 K. We also identified the reverse correlation between the friction coefficient and size of the Moiré lattice formed on the surface of the incommensurate stacked GDY bilayers, particularly in a small size range. Our investigations show that the ultralow friction and the reduction of the friction coefficient with the increase in size of the Moiré lattice are closely related to the interfacial energetics and charge density as well as the atomic arrangement. Our findings enable the development of a new solid lubricant with novel superlubricating properties, which facilitate precise modulation of the friction at the interface between two incommensurate contacting crystalline surfaces.

Nanogenerators promise self-powered sensors and devices for extensive applications in internet of things, sensor networks, big data, personal healthcare systems, artificial intelligence et al. However, low electric current densities and short product lifespans have blocked nanogenerators' applications. Here we show that structural superlubricity, a state of nearly zero friction and wear between two contacted solid surfaces, provides a revolutionary solution to the above challenge. We propose the first three types of superlubric nanogenerators (SLNGs), namely the capacitor-based, triboelectric, and electret-based SLNGs. With a systematical analysis on the influences of material and structural parameters to these SLNGs' performances, we demonstrate that these SLNGs can achieve not only enduring lifespans, but also superb performances – three orders of magnitude in current densities and output powers higher than those of conventional nanogenerators. Furthermore, we show that SLNGs can be driven by very weak external loads (down to ~1 μ N) in very low frequencies (down to ~ 1 μ H z) , and are thus capable to harvest electric energies from an extremely board spectrum of environments and biosystems. Among the three types of SLNGs, the capacitor-based is synthetically most competitive in the senses of performance, fabrication and maintaining. These theoretical results can guide designs and accelerate fabrications of SLNGs toward real applications. Image 1 • Three types of superlubric nanogenerators (SLNGs), namely the capacitor-based, triboelectric, and electret-based SLNGs, are proposed. • Theoretical analysis shows that SLNGs can achieve not only enduring lifespans • But also, SLNGs can achieve superb performances – three orders of magnitude higher than conventional nanogenerators. • SLNGs are capable to harvest electric energies in environments and biosystems with very weak external loads and very low frequencies. [ABSTRACT FROM AUTHOR]

Structural superlubricity has attracted increasing interest in modern tribology. However, experimental identification of superlubric interfaces among the vast number of heterojunctions is a trial-and-error and time-consuming approach. In this work, based on the requirements on the in-plane stiffnesses of layered materials and the interfacial interactions at the sliding incommensurate interfaces of heterojunctions for structural superlubricity, we propose criteria for predicting structural superlubricity between heterojunctions. Based on these criteria, we identify 61 heterojunctions with potential superlubricity features from 208 candidates by screening the data of first-principles calculations. This work provides a universal route for accelerating the discovery of new superlubric heterojunctions.

Disorder in the contact between an amorphous slider and a crystalline substrate leads to a cancellation of lateral forces. Atomically flat, rigid surfaces exhibit structural superlubricity, with the frictional stress in circular contacts of radius a vanishing as 1/ a . The inclusion of elasticity allows relative motion of domains on the surface in response to the random interfacial forces. The competition between disorder and elastic deformation is predicted to limit structural superlubricity and produce a constant frictional stress for a larger than a characteristic domain size λ that depends on the ratio of the shear modulus G to the magnitude of interfacial shear stresses τ 0 . Extensive simulations of a flat, amorphous punch sliding on a crystalline substrate with different system sizes and G /τ 0 are used to test scaling predictions and determine unknown prefactors that are needed for quantitative analysis. For bulk systems, we find an exponential decrease of the large a frictional stress and 1/λ with increasing G /τ 0 . For thin free-standing films, the stress and 1/λ are inversely proportional to G /τ 0 . These results may help explain the size-dependent friction of nanoparticles and plate-like materials used as solid lubricants.

"Structural superlubricity" is an important fundamental phenomenon in modern tribology that is expected to greatly diminish friction in mechanical engineering, but now is limited to achieve only at nanoscale and microscale in experiment. A novel principle for broadening the structural superlubricating state based on numberless micro-contact into macroscale superlubricity is demonstrated. The topography of micro-asperities on engineering steel substrates is elaborately constructed to divide the macroscale surface contact into microscale point contacts. Then at each contact point, special measures such as pre-running-in period and coating heterogeneous covalent/ionic or ionic/ionic nanocomposite of 2D materials are devised to manipulate the interfacial ordered layer-by-layer state, weak chemical interaction, and incommensurate configuration, thereby satisfying the prerequisites responsible for structural superlubricity. Finally, the robust superlubricating states on engineering steel-steel macroscale contact pairs are achieved with significantly reduced friction coefficient in 10 -3 magnitude, extra-long antiwear life (more than 1.0 × 10 6 laps), and good universality to wide range of materials and loads, which can be of significance for the industrialization of "structural superlubricity.", (© 2020 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Herein, structural superlubricity, a fascinating phenomenon where the friction is ultralow due to the lateral interaction cancellation resulted from incommensurate contact crystalline surfaces, is reviewed. Various kinds of nano- and microscale materials such as 2D materials, metals, and compounds are used for the fabrication. For homogeneous frictional pairs, superlow friction forces exist in most relative orientations with incommensurate configuration. Heterojunctions bear no resemblance to homogeneous contact, since the lattice constants are naturally mismatched which leads to a robust structural superlubricity with any orientation of the two different surfaces. A discussion on the perspectives of this field is also provided to meet the existing challenges and chart the future., (© 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Structural superlubricity describes the state of virtually frictionless sliding if two atomically flat interfaces are incommensurate, that is, they share no common periodicity. Despite the exciting prospects of this low friction phenomenon, there are physical limitations to the existence of this state. Theory predicts that the contact size is one fundamental limit, where the critical size threshold mainly depends on the interplay between lateral contact compliance and interface interaction energies. Here we provide experimental evidence for this size threshold by measuring the sliding friction force of differently sized antimony particles on MoS 2 . We find that superlubric sliding with the characteristic linear decrease of shear stress with contact size prevails for small particles with contact areas below 15 000 nm 2 . Larger particles, however, show a transition toward constant shear stress behavior. In contrast, Sb particles on graphite show superlubricity over the whole size range. Ab initio simulations reveal that the chemical interaction energies for Sb/MoS 2 are much stronger than for Sb/HOPG and can therefore explain the different friction properties as well as the critical size thresholds. These limitations must be considered when designing low friction contacts based on structural superlubricity concepts.