Thermodiffusion in model nanofluids by molecular dynamics simulations

In this work, a new algorithm is proposed to compute single particle (infinite dilution) thermodiffusion using Non-Equilibrium Molecular Dynamics simulations through the estimation of the thermophoretic force that applies on a solute particle. This scheme is shown to provide consistent results for simple Lennard-Jones fluids and for model nanofluids (spherical non-metallic nanoparticles + Lennard-Jones fluid) where it appears that thermodiffusion amplitude, as well as thermal conductivity, decrease with nanoparticles concentration. Then, in nanofluids in the liquid state, by changing the nature of the nanoparticle (size, mass and internal stiffness) and of the solvent (quality and viscosity) various trends are exhibited. In all cases the single particle thermodiffusion is positive, i.e. the nanoparticle tends to migrate toward the cold area. The single particle thermal diffusion 2 coefficient is shown to be independent of the size of the nanoparticle (diameter of 0.8 to 4 nm), whereas it increases with the quality of the solvent and is inversely proportional to the viscosity of the fluid. In addition, this coefficient is shown to be independent of the mass of the nanoparticle and to increase with the stiffness of the nanoparticle internal bonds. Besides, for these configurations, the mass diffusion coefficient behavior appears to be consistent with a Stokes-Einstein like law

Gaussian approximation for finitely extensible bead-spring chains with hydrodynamic interaction

The Gaussian Approximation, proposed originally by Ottinger [J. Chem. Phys., 90 (1) : 463-473, 1989] to account for the influence of fluctuations in hydrodynamic interactions in Rouse chains, is adapted here to derive a new mean-field approximation for the FENE spring force. This "FENE-PG" force law approximately accounts for spring-force fluctuations, which are neglected in the widely used FENE-P approximation. The Gaussian Approximation for hydrodynamic interactions is combined with the FENE-P and FENE-PG spring force approximations to obtain approximate models for finitely-extensible bead-spring chains with hydrodynamic interactions. The closed set of ODE's governing the evolution of the second-moments of the configurational probability distribution in the approximate models are used to generate predictions of rheological properties in steady and unsteady shear and uniaxial extensional flows, which are found to be in good agreement with the exact results obtained with Brownian dynamics simulations. In particular, predictions of coil-stretch hysteresis are in quantitative agreement with simulations' results. Additional simplifying diagonalization-of-normal-modes assumptions are found to lead to considerable savings in computation time, without significant loss in accuracy.Comment: 26 pages, 17 figures, 2 tables, 75 numbered equations, 1 appendix with 10 numbered equations Submitted to J. Chem. Phys. on 6 February 200

The INTEGRAL high energy cut-off distribution of type 1 AGN

In this letter we present the primary continuum parameters, the photon index Gamma and the high energy cut-off Ec, of 41 type-1 Seyfert galaxies extracted from the INTEGRAL complete sample of AGN. We performed a broad band (0.3-100 keV) spectral analysis by fitting simultaneously the soft and hard X-ray spectra obtained by XMM and INTEGRAL/IBIS-Swift/BAT respectively in order to investigate the general properties of these parameters in particular their distribution and mean values. We find a mean photon index for the whole sample of 1.73 with a standard deviation of 0.17 and a mean high energy cut-off of 128 keV with a standard deviation of 46 keV. This is the first time that the cut-off energy is constrained in a such large number of AGN. We have 26 measurements of the cut-off, which corresponds to 63% of the entire sample, distributed between 50 and 200 keV. There are a further 11 lower limits mostly below 300 keV. Using the main parameters of the primary continuum, we have been able to obtain the actual physical parameters of the Comptonizing region i.e. the plasma temperature kT_e from 20 to 100 keV and the optical depth tau <4. Finally, with the high S/N spectra starting to come from NuSTAR it will soon be possible to better constrain the cut-off values in many AGN, allowing the determination of more physical models and so to better understand the continuum emission and geometry of the region surrounding black holes.Comment: 21 pages, 4 figures, 1 table. Accepted for publication on ApJ Letter

XMM-Newton and INTEGRAL analysis of the Supergiant Fast X-ray Transient IGR J17354-3255

We present the results of combined INTEGRAL and XMM-Newton observations of the supergiant fast X-ray transient (SFXT) IGR J17354$-$3255. Three XMM-Newton observations of lengths 33.4 ks, 32.5 ks and 21.9 ks were undertaken, the first an initial pointing to identify the correct source in the field of view and the latter two performed around periastron. Simultaneous INTEGRAL observations across $\sim66\%$ of the orbital cycle were analysed but the source was neither detected by IBIS/ISGRI nor by JEM-X. The XMM-Newton light curves display a range of moderately bright X-ray activity but there are no particularly strong flares or outbursts in any of the three observations. We show that the spectral shape measured by XMM-Newton can be fitted by a consistent model throughout the observation, suggesting that the observed flux variations are driven by obscuration from a wind of varying density rather than changes in accretion mode. The simultaneous INTEGRAL data rule out simple extrapolation of the simple powerlaw model beyond the XMM-Newton energy range.Comment: 13 pages, 9 figures, This article has been accepted for publication in Monthly Notices of the Royal Astronomical Society Published by Oxford University Pres

Single polymer dynamics: coil-stretch transition in a random flow

By quantitative studies of statistics of polymer stretching in a random flow and of a flow field we demonstrate that the stretching of polymer molecules in a 3D random flow occurs rather sharply via the coil-stretch transition at the value of the criterion close to theoretically predicted.Comment: 4 pages, 5 figure

Geometric scaling of purely-elastic flow instabilities

We present a combined experimental, numerical and theoretical investigation of the geometric scaling of the onset of a purely-elastic flow instability in a serpentine channel. Good qualitative agreement is obtained between experiments, using dilute solutions of flexible polymers in microfluidic devices, and two-dimensional numerical simulations using the UCM model. The results are confirmed by a simple theoretical analysis, based on the dimensionless criterion proposed by Pakdel-McKinley for onset of a purely-elastic instability

Quantum dot dephasing by edge states

We calculate the dephasing rate of an electron state in a pinched quantum dot, due to Coulomb interactions between the electron in the dot and electrons in a nearby voltage biased ballistic nanostructure. The dephasing is caused by nonequilibrium time fluctuations of the electron density in the nanostructure, which create random electric fields in the dot. As a result, the electron level in the dot fluctuates in time, and the coherent part of the resonant transmission through the dot is suppressed

Flow pattern transition accompanied with sudden growth of flow resistance in two-dimensional curvilinear viscoelastic flows

We find three types of steady solutions and remarkable flow pattern transitions between them in a two-dimensional wavy-walled channel for low to moderate Reynolds (Re) and Weissenberg (Wi) numbers using direct numerical simulations with spectral element method. The solutions are called "convective", "transition", and "elastic" in ascending order of Wi. In the convective region in the Re-Wi parameter space, the convective effect and the pressure gradient balance on average. As Wi increases, the elastic effect becomes suddenly comparable and the first transition sets in. Through the transition, a separation vortex disappears and a jet flow induced close to the wall by the viscoelasticity moves into the bulk; The viscous drag significantly drops and the elastic wall friction rises sharply. This transition is caused by an elastic force in the streamwise direction due to the competition of the convective and elastic effects. In the transition region, the convective and elastic effects balance. When the elastic effect dominates the convective effect, the second transition occurs but it is relatively moderate. The second one seems to be governed by so-called Weissenberg effect. These transitions are not sensitive to driving forces. By the scaling analysis, it is shown that the stress component is proportional to the Reynolds number on the boundary of the first transition in the Re-Wi space. This scaling coincides well with the numerical result.Comment: 33pages, 23figures, submitted to Physical Review