Asymmetric transportation induced by thermal noise at the nanoscale

Wan, Rundong; Hu, Jun; Fang, Haiping

doi:10.1007/s11433-012-4695-8

Cited by 16 publications

(17 citation statements)

References 30 publications

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“…A perusal of literature shows that noise in nanoscale systems with no external fluctuations can be taken to be between 10 to 100 ps. 108 We found, for our system, that a cut-off of 50 ps for the minimum length of the event is essential for obtaining meaningful statistics of true translations close to the solid interface. However, for slabs close to the vacuum interface, a cut-off of even smaller values was found to yield the same estimates for 𝜏̅ 𝑐 𝑉𝐿𝑉 and 𝜏̅ 𝑐 𝑆𝐿𝑉 at appropriate z.…”

Section: Figurementioning

confidence: 79%

Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces

Vučemilović‐Alagić

Banhatti

Stepić

et al. 2019

Journal of Colloid and Interface Science

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HypothesisA prototypical modelling approach is required for a full characterisation of the static and equilibrium dynamical properties of confined ionic liquids (ILs), in order to gain predictive power of properties that are difficult to extract from experiments. Such a protocol needs to be constructed by benchmarking molecular dynamics simulations against available experiments. SimulationsWe perform an in-depth study of [C 2 Mim] + [NTf 2 ]in bulk, at the vacuum and at hydroxylated alumina surface. Using the charge methods CHelpG, RESP-HF and RESP-B3LYP with charge scaling factors 1.0, 0.9 and 0.85, we search for an optimum non-polarizable force field by benchmarking against self-diffusion coefficients, surface tension, X-ray reflectivity data, and structural data. FindingsBenchmarking, which relies on establishing the significance of an appropriate size of the model systems and the length of the simulations, yields RESP-HF/0.9 as the best suited force field for this IL overall. A complete and accurate characterisation of the spatially-dependent internal configurational space and orientation of IL molecules relative to the solid and vacuum interfaces is obtained. Furthermore, the density and mobility of IL ions in the plane parallel and normal to the interfaces is evaluated and the correlation between the stratification and dynamics in the interfacial layers is detectable deep into the films.

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Section: Figurementioning

confidence: 79%

Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces

Vučemilović‐Alagić

Banhatti

Stepić

et al. 2019

Journal of Colloid and Interface Science

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“…This net ux should be induced by thermal noise, according to a recent theoretical analysis. 37 The correlation lengths of the thermal uctuations become signicantly long for nanoscale systems. This differs from macroscopic systems in which the thermal noises are usually treated as white noise.…”

Section: Resultsmentioning

confidence: 99%

Asymmetric transport of water molecules through a hydrophobic conical channel

Yang

Guo

2014

RSC Adv.

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“…This finding extends the work of Einstein to nano-world beyond random Brownian motion, and is expected to have an essential role in the understanding of the nanoscale world. We also expect that directional transportation in macroscopic to nanoscopic time-scale such as biased water transports through nanochannels [29][30][31][32] can be accumulated from the orientation-dependent displacements of nanoparticles by controlling the particle orientation with various methods such as electric and magnetic fields. This provides new ideas to develop novel technology for various nanoscale and bulk applications, in such things as chemical separation, sensing and drug delivery.…”

Section: / 16mentioning

confidence: 99%

Asymmetrical free diffusion with orientation-dependence of molecules in finite timescales

Sheng

Guo

et al. 2013

Sci. China Phys. Mech. Astron.

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Using molecular dynamics simulations, we show that free diffusion of a nanoscale particle (molecule) with asymmetric structure critically depends on the orientation in a finite timescale of picoseconds to nanoseconds. In a timescale of ~100 ps, there are ~10% more possibilities for the particle moving along the initial orientation than moving opposite to the orientation; and the diffusion distances of the particle reach ~1 nm. We find that the key to this observation is the orientation-dependence of the damping force to the moving of the nanoscale particle and a finite time is required to regulate the particle orientation. This finding extends the work of Einstein to nano-world beyond random Brownian motion, thus will have a critical role in the understanding of the nanoscale world.

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Asymmetric transportation induced by thermal noise at the nanoscale

Abstract: 05.40.Ca, 66.10.cg Asymmetries in both structures and potentials are frequently exploited in nanoscale systems. In the past few decades, asymmetric transportation has been extensively

Cited by 16 publications

References 30 publications

Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces

Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces

Asymmetric transport of water molecules through a hydrophobic conical channel

Asymmetrical free diffusion with orientation-dependence of molecules in finite timescales

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