Rubber friction on smooth surfaces

We study the sliding friction for viscoelastic solids, e.g., rubber, on hard flat substrate surfaces. We consider first the fluctuating shear stress inside a viscoelastic solid which results from the thermal motion of the atoms or molecules in the solid. At the nanoscale the thermal fluctuations are very strong and give rise to stress fluctuations in the MPa-range, which is similar to the depinning stresses which typically occur at solid-rubber interfaces, indicating the crucial importance of thermal fluctuations for rubber friction on smooth surfaces. We develop a detailed model which takes into account the influence of thermal fluctuations on the depinning of small contact patches (stress domains) at the rubber-substrate interface. The theory predicts that the velocity dependence of the macroscopic shear stress has a bell-shaped f orm, and that the low-velocity side exhibits the same temperature dependence as the bulk viscoelastic modulus, in qualitative agreement with experimental data. Finally, we discuss the influence of small-amplitude substrate roughness on rubber sliding friction.Comment: 14 pages, 16 figure

Comment on "Calculation of microcanonical entropy differences from configurational averages"

We introduce a simple improvement on the method to calculate equilibrium entropy differences between classical energy levels proposed by Davis (S. Davis, Phys. Rev. E, 050101, 2011). We demonstrate that the modification is superior to the original whenever the energy levels are sufficiently closely spaced or whenever the microcanonical averaging needed in the method is carried out by importance sampling Monte Carlo. We also point out the necessary adjustments if Davis's method (improved or not) is to be used with molecular dynamics simulations.Comment: 5 pages, 1 figure, completely rewritte

Modification of the Gay-Berne potential for improved accuracy and speed

A modification of the Gay-Berne potential is proposed which is about 10% to 20% more speed efficient (that is, the original potential runs 15% to 25% slower, depending on architecture) and statistically more accurate in reproducing the energy of interaction of two linear Lennard-Jones tetratomics when averaged over all orientations. For the special cases of end-to-end and side-by-side configurations, the new potential is equivalent to the Gay-Berne one.Comment: 5 pages (incl. title page), [preprint,aip,jcp]{RevTEX-4.1}, 1 figure, 1 table. Revised version fixes mathematical typos and adds short paragraph on a natural generalization to dissimilar particle

Note on the physical basis of spatially resolved thermodynamic functions

The spatial resolution of thermodynamic functions, exemplified by the entropy, is discussed. A physical definition of the spatial resolution based on a spatial analogy of the partial molar entropy is advocated. It is shown that neither the grid cell theory (Gerogiokas et al., J. Chem. Theory Comput., 10, 35 [2014]), nor the first-order grid inhomogeneous solvation theory (Nguyen et al. J. Chem. Phys., 137, 044101 [2012]), of spatially resolved hydration entropies satisfies the definition.Comment: Essentially 2 double-column pages, no figure

Resonant photon tunneling enhancement of the radiative heat transfer

We study the dependence of the heat transfer between two semi-infinite solids on the dielectric properties of the bodies. We show that the heat transfer at short separation between the solids may increase by many order of magnitude when the surfaces are covered by adsorbates, or can support low-frequency surface plasmons. In this case the heat transfer is determined by resonant photon tunneling between adsorbate vibrational modes, or surface plasmon modes. We study the dependence of the heat flux between two metal surfaces on the electron concentration using the non-local optic dielectric approach, and co mpare with the results obtained within local optic approximation.Comment: 5 pages, 3 figure

Computational predictions of energy materials using density functional theory

In the search for new functional materials, quantum mechanics is an exciting starting point. The fundamental laws that govern the behaviour of electrons have the possibility, at the other end of the scale, to predict the performance of a material for a targeted application. In some cases, this is achievable using density functional theory (DFT). In this Review, we highlight DFT studies predicting energy-related materials that were subsequently confirmed experimentally. The attributes and limitations of DFT for the computational design of materials for lithium-ion batteries, hydrogen production and storage materials, superconductors, photovoltaics and thermoelectric materials are discussed. In the future, we expect that the accuracy of DFT-based methods will continue to improve and that growth in computing power will enable millions of materials to be virtually screened for specific applications. Thus, these examples represent a first glimpse of what may become a routine and integral step in materials discovery

Influence of electric current on the Casimir forces between graphene sheets

We investigate the dependence of the thermal Casimir force between two graphene sheets on the drift velocity of the electrons in one graphene sheet. We show that the drift motion produces a measurable change of the thermal Casimir force due to the Doppler effect. The thermal Casimir force as well as the Casimir friction are strongly enhanced in the case of resonant photon tunneling when the energy of the emitted photon coincides with the energy of electron-hole pair excitations. In the case of resonant photon tunneling, even for temperatures above room temperature the Casimir friction is dominated by quantum friction due to quantum fluctuations. Quantum friction can be detected in frictional drag experiment between graphene sheets for high electric field.Comment: 6 pages, 2 figure

Non-contact friction between nanostructures

We calculate the van der Waals friction between two semi-infinite solids in normal relative motion and find a drastic difference in comparison with the parallel relative motion. The case of the good conductors is investigated in details both within the local optic approximation, and using a non-local optic dielectric approach. We show that the friction may increase by many order of magnitude when the surfaces are covered by adsorbates, or can support low-frequency surface plasmons. In this case the friction is determined by resonant photon tunneling between adsorbate vibrational modes, or surface plasmon modes. The theory is compared to atomic force microscope experimental data.Comment: Published in PR