Molecular simulation study of nanoscale friction for alkyl monolayers on Si(111)

Zhang, Luzheng; Jiang, Shaoyi

doi:10.1063/1.1485961

Cited by 56 publications

(60 citation statements)

References 61 publications

(44 reference statements)

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“…The results showed the dependence of frictional force and normal load, and furthermore, it was demonstrated that Amonton's law was valid for nano-scale friction. 54 Lan and Zhang (2004) reported on the interaction between nano-scale tip and thin film which was similar to the model investigated by Tupper et al 55 Zhang and Jiang (2002) also presented the frictional behavior of SAM molecules on Si (111) with respect to relative humidity. According to the simulation, friction coefficient of hydrophilic surface decreased from 0.5 to 0.2 as relative humidity increased from 15 to 80%.…”

Section: Numerical Analysismentioning

confidence: 59%

“…According to the simulation, friction coefficient of hydrophilic surface decreased from 0.5 to 0.2 as relative humidity increased from 15 to 80%. 56 Tanaka et al (2003) performed simulation on the frictional behavior of Perfluoropolyether (PFPE) coating with respect to normal load. The results showed that friction coefficient decreased from 0.8 to 0.2 when the normal pressure was increased from 0.1 x 10 9 to 2.0 x 10 9 Pa. Stick-slip behavior and fluctuation of frictional force at high load were also observed in the simulation.…”

Section: Numerical Analysismentioning

confidence: 99%

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Nano-scale friction: A review

Kim

2009

Int. J. Precis. Eng. Manuf.

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Frictional force is a resistant force that must be overcome to achieve relative motion between two components in contact. The economical and technological benefits of controlling friction and wear are tremendous. However, due to the complex nature of the phenomena, clear understanding of the mechanisms are yet to be achieved, particularly at the nano-scale where surface forces tend to dominate the tribological behavior of the system. In this paper the results of numerous theoretical, experimental, and numerical works on the fundamental mechanisms of friction at the nano-scale are reviewed. It is shown that friction coefficient values for nano-scale systems are quite varied depending on the conditions under which the system is investigated. As for the mechanism that causes friction at the nano-scale, interaction of the atoms plays a vital role. Furthermore, factors such as atomic radius, interatomic potential energy, and lattice parameters contribute to the degree of atomic interaction.

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Section: Numerical Analysismentioning

confidence: 59%

Section: Numerical Analysismentioning

confidence: 99%

Nano-scale friction: A review

Kim

2009

Int. J. Precis. Eng. Manuf.

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“…The parameters of the Tersoff potential used for silicon are presented in Table 1 [7]. Moreover, this table also involves the parameters σ and ε of the Lennard-Jones potential for silicon [9]. It should be emphasized that the Lennard-Jones interaction (repulsion) was taken into account only in the case where the atoms approach each other to a distance r < (R -D) when simulating the nanoassembly consisting of the icosahedron and the fullerene.…”

Section: The Molecular Dynamics Modelmentioning

confidence: 99%

Molecular dynamics simulation of the physicochemical properties of silicon nanoparticles containing 73 atoms

et al. 2007

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The physicochemical properties of 73-atom silicon nanoparticles that have a crystal structure, a random atomic packing, and a packing formed by inserting a 13-atom icosahedron into a 60-atom fullerene are investigated using the molecular dynamics method. Analysis of the behavior of the internal energy, the radial distribution function, the distribution of bond angles, and the specific heat at a constant pressure C p in the temperature range 10-1710 K indicates that a crystalline nanoparticle undergoes melting at a temperature of 710 K and that the structural transformations occurring in particles with an irregular atomic packing exhibit specific features. It is demonstrated that the temperature dependence of the self-diffusion coefficient follows a linear behavior. Local deviations from the linear behavior are most pronounced for the crystalline nanoparticle.

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“…The Tersoff potential parameters for silicon were reported by Tersoff; 167,168 the Lennard-Jones potential parameters were reported by Zhang and Jiang. 237 The repulsion (Lennard-Jones potential) was taken into account only if the atoms approached one another to inadmissibly short distances in the simulation of nanoassembly of an icosahedron and fullerene. The Tersoff potential is applicable to simulation of the systems with, on average, 3 ± 4 covalent bonds per atom.…”

Section: Stability and Thermal Size Effects Of Silicon Clusters Dmentioning

confidence: 99%

Stability and thermal evolution of transition metal and silicon clusters

Полухин¹,

Vatolin²

2015

Russ. Chem. Rev.

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ContentsRussian Chemical Reviews 84 (5) 498 ± 539 (2015) # 2015 Russian Academy of Sciences and Turpion Ltd V A Polukhin, N A Vatolin Russ. Chem. Rev. 84 (5) 498 ± 539 (2015) 499 { Structure designations: Ih is icosahedral, fcc is face-centred cubic, hcp is hexagonal close-packed, bcc is body-centred cubic, pc is primitive cubic; sph is sphalerite type. V A Polukhin, N A Vatolin Russ. Chem. Rev. 84 (5) 498 ± 539 (2015) V A Polukhin, N A Vatolin Russ. Chem. Rev. 84 (5) 498 ± 539 (2015)

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Molecular simulation study of nanoscale friction for alkyl monolayers on Si(111)

Abstract: An atomistic simulation study of a solid monolayer and trilayer of n-hexane on graphite

Cited by 56 publications

References 61 publications

Nano-scale friction: A review

Nano-scale friction: A review

Molecular dynamics simulation of the physicochemical properties of silicon nanoparticles containing 73 atoms

Stability and thermal evolution of transition metal and silicon clusters

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