On the nonlocal viscosity kernel of mixtures

In this report we investigate the multiscale hydrodynamical response of a liquid as a function of mixture composition. This is done via a series of molecular dynamics simulations where the wave vector dependent viscosity kernel is computed for three mixtures each with 7-15 different compositions. We observe that the nonlocal viscosity kernel is dependent on composition for simple atomic mixtures for all the wave vectors studied here, however, for a model polymer melt mixture the kernel is independent of composition for large wave vectors. The deviation from ideal mixing is also studied. Here it is shown that a Lennard-Jones mixture follows the ideal mixing rule surprisingly well for a large range of wave vectors, whereas for both the Kob-Andersen mixture and the polymer melt large deviations are found. Furthermore, for the polymer melt the deviation is wave vector dependent such that there exists a critical length scale at which the ideal mixing goes from under-estimating to over-estimating the viscosity

An improved 2.5 GHz electron pump: single-electron transport through shallow-etched point contacts driven by surface acoustic waves

We present an experimental study of a 2.5 GHz electron pump based on the quantized acoustoelectric current driven by surface acoustic waves (SAWs) through a shallow-etched point contact in a GaAs/AlGaAs heterostructure. At low temperatures and with an additional counter-propagating SAW beam, up to n = 20 current plateaus at I=nef could be resolved, where n is an integer, e the electron charge, and f the SAW frequency. In the best case the accuracy of the first plateau at 0.40 nA was estimated to be dI/I = +/- 25 ppm over 0.25 mV in gate voltage, which is better than previous results.Comment: 11 pages, 4 figure

How `sticky' are short-range square-well fluids?

The aim of this work is to investigate to what extent the structural properties of a short-range square-well (SW) fluid of range $\lambda$ at a given packing fraction and reduced temperature can be represented by those of a sticky-hard-sphere (SHS) fluid at the same packing fraction and an effective stickiness parameter $\tau$. Such an equivalence cannot hold for the radial distribution function since this function has a delta singularity at contact in the SHS case, while it has a jump discontinuity at $r=\lambda$ in the SW case. Therefore, the equivalence is explored with the cavity function $y(r)$. Optimization of the agreement between y_{\sw} and y_{\shs} to first order in density suggests the choice for $\tau$. We have performed Monte Carlo (MC) simulations of the SW fluid for $\lambda=1.05$, 1.02, and 1.01 at several densities and temperatures $T^*$ such that $\tau=0.13$, 0.2, and 0.5. The resulting cavity functions have been compared with MC data of SHS fluids obtained by Miller and Frenkel [J. Phys: Cond. Matter 16, S4901 (2004)]. Although, at given values of $\eta$ and $\tau$, some local discrepancies between y_{\sw} and y_{\shs} exist (especially for $\lambda=1.05$), the SW data converge smoothly toward the SHS values as $\lambda-1$ decreases. The approximate mapping y_{\sw}\to y_{\shs} is exploited to estimate the internal energy and structure factor of the SW fluid from those of the SHS fluid. Taking for y_{\shs} the solution of the Percus--Yevick equation as well as the rational-function approximation, the radial distribution function $g(r)$ of the SW fluid is theoretically estimated and a good agreement with our MC simulations is found. Finally, a similar study is carried out for short-range SW fluid mixtures.Comment: 14 pages, including 3 tables and 14 figures; v2: typo in Eq. (5.1) corrected, Fig. 14 redone, to be published in JC

Origin of the Universal Roughness Exponent of Brittle Fracture Surfaces: Correlated Percolation in the Damage Zone

We suggest that the observed large-scale universal roughness of brittle fracture surfaces is due to the fracture process being a correlated percolation process in a self-generated quadratic damage gradient. We use the quasi-static two-dimensional fuse model as a paradigm of a fracture model. We measure for this model, that exhibits a correlated percolation process, the correlation length exponent nu approximately equal to 1.35 and conjecture it to be equal to that of uncorrelated percolation, 4/3. We then show that the roughness exponent in the fuse model is zeta = 2 nu/(1+2 nu)= 8/11. This is in accordance with the numerical value zeta=0.75. As for three-dimensional brittle fractures, a mean-field theory gives nu=2, leading to zeta=4/5 in full accordance with the universally observed value zeta =0.80.Comment: 4 pages RevTeX

Dielectric response of a polar fluid trapped in a spherical nanocavity

We present extensive Molecular Dynamics simulation results for the structure, static and dynamical response of a droplet of 1000 soft spheres carrying extended dipoles and confined to spherical cavities of radii $R=2.5$, 3, and 4 nm embedded in a dielectric continuum of permittivity $\epsilon' \geq 1$. The polarisation of the external medium by the charge distribution inside the cavity is accounted for by appropriate image charges. We focus on the influence of the external permittivity $\epsilon'$ on the static and dynamic properties of the confined fluid. The density profile and local orientational order parameter of the dipoles turn out to be remarkably insensitive to $\epsilon'$. Permittivity profiles $\epsilon(r)$ inside the spherical cavity are calculated from a generalised Kirkwood formula. These profiles oscillate in phase with the density profiles and go to a ``bulk'' value $\epsilon_b$ away from the confining surface; $\epsilon_b$ is only weakly dependent on $\epsilon'$, except for $\epsilon' = 1$ (vacuum), and is strongly reduced compared to the permittivity of a uniform (bulk) fluid under comparable thermodynamic conditions. The dynamic relaxation of the total dipole moment of the sample is found to be strongly dependent on $\epsilon'$, and to exhibit oscillatory behaviour when $\epsilon'=1$; the relaxation is an order of magnitude faster than in the bulk. The complex frequency-dependent permittivity $\epsilon(\omega)$ is sensitive to $\epsilon'$ at low frequencies, and the zero frequency limit $\epsilon(\omega=0)$ is systematically lower than the ``bulk'' value $\epsilon_b$ of the static primitivity.Comment: 12 pages including 17 figure

Time scale for the onset of Fickian diffusion in supercooled liquids

We propose a quantitative measure of a time scale on which Fickian diffusion sets in for supercooled liquids and use Brownian Dynamics computer simulations to determine the temperature dependence of this onset time in a Lennard-Jones binary mixture. The time for the onset of Fickian diffusion ranges between 6.5 and 31 times the $\alpha$ relaxation time (the $\alpha$ relaxation time is the characteristic relaxation time of the incoherent intermediate scattering function). The onset time increases faster with decreasing temperature than the $\alpha$ relaxation time. Mean squared displacement at the onset time increases with decreasing temperature

Three-body interactions in complex fluids: virial coefficients from simulation finite-size effects

A simulation technique is described for quantifying the contribution of three-body interactions to the thermodynamical properties of coarse-grained representations of complex fluids. The method is based on comparing the third virial coefficient $B_3$ for a complex fluid with that of an approximate coarse-grained model described by a pair potential. To obtain $B_3$ we introduce a new technique which expresses its value in terms of the measured volume-dependent asymptote of a certain structural function. The strategy is applicable to both Molecular Dynamics and Monte Carlo simulation. Its utility is illustrated via measurements of three-body effects in models of star polymer and highly size-asymmetrical colloid-polymer mixtures.Comment: 13 pages, 8 figure

Coarse-graining diblock copolymer solutions: a macromolecular version of the Widom-Rowlinson model

We propose a systematic coarse-grained representation of block copolymers, whereby each block is reduced to a single ``soft blob'' and effective intra- as well as intermolecular interactions act between centres of mass of the blocks. The coarse-graining approach is applied to simple athermal lattice models of symmetric AB diblock copolymers, in particular to a Widom-Rowlinson-like model where blocks of the same species behave as ideal polymers (i.e. freely interpenetrate), while blocks of opposite species are mutually avoiding walks. This incompatibility drives microphase separation for copolymer solutions in the semi-dilute regime. An appropriate, consistent inversion procedure is used to extract effective inter- and intramolecular potentials from Monte Carlo results for the pair distribution functions of the block centres of mass in the infinite dilution limit.Comment: To be published in mol.phys(2005

The role of binaries in the enrichment of the early Galactic halo. I. r-process-enhanced metal-poor stars

The detailed chemical composition of most metal-poor halo stars has been found to be highly uniform, but a minority of stars exhibit dramatic enhancements in their abundances of heavy neutron-capture elements and/or of carbon. The key question for Galactic chemical evolution models is whether these peculiarities reflect the composition of the natal clouds, or if they are due to later mass transfer of processed material from a binary companion. If the former case applies, the observed excess of certain elements was implanted within selected clouds in the early ISM from a production site at interstellar distances. Our aim is to determine the frequency and orbital properties of binaries among these chemically peculiar stars. This information provides the basis for deciding whether mass transfer from a binary companion is necessary and sufficient to explain their unusual compositions. This paper discusses our study of a sample of 17 moderately (r-I) and highly (r-II) r-process-element enhanced VMP and EMP stars. High-resolution, low signal-to-noise spectra of the stars were obtained at roughly monthly intervals over 8 years with the FIES spectrograph at the Nordic Optical Telescope. From these spectra, radial velocities with an accuracy of ~100 m/s were determined by cross-correlation against an optimized template. 14 of the programme stars exhibit no significant RV variation over this period, while 3 are binaries with orbits of typical eccentricity for their periods, resulting in a normal binary frequency of ~18+-6% for the sample. Our results confirm our preliminary conclusion from 2011, based on partial data, that the chemical peculiarity of the r-I and r-II stars is not caused by any putative binary companions. Instead, it was imprinted on the natal molecular clouds of these stars by an external, distant source. Models of the ISM in early galaxies should account for such mechanisms.Comment: 14 pages, 3 figures, accepted for publication in Astronomy and Astrophysic

Fourth virial coefficients of asymmetric nonadditive hard-disc mixtures

The fourth virial coefficient of asymmetric nonadditive binary mixtures of hard disks is computed with a standard Monte Carlo method. Wide ranges of size ratio ($0.05\leq q\leq 0.95$) and nonadditivity ($-0.5\leq \Delta\leq 0.5$) are covered. A comparison is made between the numerical results and those that follow from some theoretical developments. The possible use of these data in the derivation of new equations of state for these mixtures is illustrated by considering a rescaled virial expansion truncated to fourth order. The numerical results obtained using this equation of state are compared with Monte Carlo simulation data in the case of a size ratio $q=0.7$ and two nonadditivities $\Delta=\pm 0.2$.Comment: 9 pages, 7 figures; v2: section on equation of state added; tables moved to supplementary material (http://jcp.aip.org/resource/1/jcpsa6/v136/i18/p184505_s1#artObjSF