Nanoscale Friction Behavior of Transition-Metal Dichalcogenides: Role of the Chalcogenide

Vazirisereshk, Mohammad R.; Hasz, Kathryn; Zhao, Meng; Johnson, A. T. Charlie; Carpick, Robert W.; Martini, Ashlie

doi:10.1021/acsnano.0c07558

Cited by 46 publications

(31 citation statements)

References 60 publications

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“…The only structural change that could affect friction is thermal expansion corresponds to less than 100 parts per million strain over the temperature range we have studied. 50 While an effect of lattice spacing on friction has been seen in experiments and simulations, 10 the effect occurred for changes in lattice parameters that were over 500 times greater than that which thermal expansion would cause for our temperature range. We note that the energy corrugation predicted by the sinusoidal form with the best fit values of Fig.…”

Section: Resultsmentioning

confidence: 70%

“…While there has been extensive investigation into the macroscale behavior of dry sliding contacts, [7][8][9] the fundamental mechanisms behind the low friction behavior of these contacts, and the factors which limit it, remain unclear. 10 There have been numerous prior investigations into the influence of sliding speed and temperature on nanoscale friction, particularly in the wearless regime [11][12][13][14] . Frequently, the results of these studies are analyzed using the thermal Prandtl-Tomlinson (PTT) model.…”

Section: Introductionmentioning

confidence: 99%

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Bifurcation of nanoscale thermolubric friction behavior for sliding on MoS2

Hasz

Vazirisereshk

Martini

et al. 2021

Phys. Rev. Materials

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We present atomic force microscopy (AFM) experiments of wearless sliding between nanoscale tips and both bulk and monolayer MoS2 in ultrahigh vacuum across a wide range of temperatures and scanning speeds. Atomic lattice stick-slip behavior is consistently resolved.However, a bifurcation of behavior is seen, with some measurements showing a strong decrease in friction with increasing temperature and others showing athermal and low friction under nominally identical conditions. The difference between thermal and athermal behavior is attributed to a change in the corrugation of the potential energy surface, potentially due to 2 trace amounts of adsorbed contaminants. While the speed dependence at a given temperature is consistent with the thermal Prandtl-Tomlinson model for atomic-scale friction, that is not the case for the temperature dependence (when it is present), nor can the temperature dependence be described by other existing models. We discuss the limitations of these models in light of the measured results.

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Section: Resultsmentioning

confidence: 70%

Section: Introductionmentioning

confidence: 99%

Bifurcation of nanoscale thermolubric friction behavior for sliding on MoS2

Hasz

Vazirisereshk

Martini

et al. 2021

Phys. Rev. Materials

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“…[2] The nanoscale friction properties of TMDs are thus actively studied. [3] Innovative integration of the TMDs as coatings into a tribological design and assessing their energetic efficiency requires understanding their irreversible thermodynamic behaviour during the nanoscale friction processes and its extrapolation to dynamics of a typical AFM tip sliding on 2D material surfaces quantified through ab initio calculations. The mesoscopic dynamics of an AFM tip was described by the adaptation of classical thermally activated PT model of dry adhesive friction [15] coupled to the framework of modern stochastic thermodynamics.…”

Section: Introductionmentioning

confidence: 99%

Multi‐scale model predicting friction of crystalline materials

Torche

Silva

Kramer

et al. 2021

Adv Materials Inter

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macroscopic scales. This calls for a datadriven approach implementing efficient and accurate multi-scale modelling techniques to inform and interpret laboratory experiments. These include the lateralforce atomic force microscopy (AFM), which is the key experimental tool used for quantifying the nanoscale friction processes. [4] In particular, AFM is able to record the mechanical force exerted by a crystalline surface onto a nano-scale asperity dragged on top of it. Common computational models frequently used to study the microscopic laws of friction include quantum-mechanical first principles calculations, atomistic models based on molecular dynamics, nonlinear Prandtl-Tomlinson (PT) or Frenkel-Kontrova models, agentbased earthquake models, and models based on continuum mechanics applicable at macroscopic scales. The multi-scale modeling approach requires interfacing typically two or more of these levels of modeling into a systematic framework. [5] So far, the most refined multi-scale modelling of atomic friction has combined first principles calculations with molecular dynamics methods. [6,7] While highly accurate, this methodology requires significant computational resources, which restricts its applicability to relatively short time-and length-scales. More importantly, the lack of reliable force fields for the majority of materials is a major limitation for the transferability needed for new-materials screenings.The mesoscopic to macroscopic scale range of the friction processes has been studied by bridging atomistic molecular dynamics, linear response theory, and continuum mechanics into a unified multi-scale approach. [8] However, continuum theories inherently exclude the possibility of thermal and structural fluctuations and their applicability to the nanoscale friction range becomes problematic, as it is inherently a farfrom-equilibrium phenomenon dominated by such fluctuations and size effects. [9] Instead, it is often more fruitful to employ non-equilibrium statistical mechanics combined with transition state theory or stochastic Langevin dynamics. [10] This approach has been successful in generalizing, for example, the classical PT model to describe the thermally activated nano-scale friction in AFM experiments, [11][12][13][14][15] which qualitatively captured the velocity, load, and temperature dependencies observed in experiments. [13,16,17] To advance this statistical level of modeling requires incorporating the fundamental ability to describe the nanoscale frictional behavior of specific materials, which is the main objective in this work.The main result of this work is a fully consistent thermally activated thermodynamic model, which combines mesoscopic A multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico is presented. The approach is based on stochastic thermodynamics founded on the classical thermally activated 2D Prandtl-Tomlinson model, linked with first principles methods to accurately capture the properties of real materials. It allows inves...

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“…Materials like WTe 2 and MoS 2 promise superior structural and mechanical properties that will lead to reduced dimensions, costs and increased efficiency in applications 2 . The nanoscale friction properties of TMDs are thus actively studied 3 .…”

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confidence: 99%

Multi-scale model predicting friction of crystalline materials

Torche,

Silva,

Kramer

et al. 2022

Preprint

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We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional Prandtl-Tomlinson model, linked with First Principles methods to accurately capture the properties of real materials. It allows investigating the energy dissipation due to friction in materials as it arises directly from their electronic structure, and naturally accessing the time-scale range of a typical friction force microscopy. This opens new possibilities for designing a broad class of material surfaces with atomically tailored properties. We apply the multi-scale framework to a class of two-dimensional layered materials and reveal a delicate interplay between the topology of the energy landscape and dissipation that known static approaches based solely on the energy barriers fail to capture.

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Nanoscale Friction Behavior of Transition-Metal Dichalcogenides: Role of the Chalcogenide

Cited by 46 publications

References 60 publications

Bifurcation of nanoscale thermolubric friction behavior for sliding on MoS2

Bifurcation of nanoscale thermolubric friction behavior for sliding on MoS2

Multi‐scale model predicting friction of crystalline materials

Multi-scale model predicting friction of crystalline materials

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