Employing per-component time step in DSMC simulations of disparate mass and cross-section gas mixtures

A new approach to simulation of stationary flows by Direct Simulation Monte Carlo method is proposed. The idea is to specify an individual time step for each component of a gas mixture. The approach consists of modifications mainly to collision phase and recommendation on choosing time step ratios. It allows softening the demands on the computational resources for cases of disparate collision diameters of molecules and/or disparate molecular masses. These are the cases important in vacuum deposition technologies. Few tests of the new approach are made. Finally, the usage of new approach is demonstrated on a problem of silver nanocluster diffusion in carrier gas argon in conditions of silver deposition experiments.Comment: The goal of submission is to find native English speaker willing to help me polish the paper. This is paper draft sent to Communications in Computational Physics. It is recommended to publication. The need of polishing was one of editors decision. See Additional data for MS Word source fil

INTEGRAL discovery of unusually long broad-band X-ray activity from the Supergiant Fast X-ray Transient IGR J18483-0311

We report on a broad-band X-ray study (0.5-250 keV) of the Supergiant Fast X-ray Transient IGR J18483-0311 using archival INTEGRAL data and a new targeted XMM-Newton observation. Our INTEGRAL investigation discovered for the first time an unusually long X-ray activity (3-60 keV) which continuously lasted for at least 11 days, i.e. a significant fraction (about 60%) of the entire orbital period, and spanned orbital phases corresponding to both periastron and apastron passages. This prolongated X-ray activity is at odds with the much shorter durations marking outbursts from classical SFXTs especially above 20 keV, as such it represents a departure from their nominal behavior and it adds a further extreme characteristic to the already extreme SFXT IGR J18483-0311. Our IBIS/ISGRI high energy investigation (100-250 keV) of archival outbursts activity from the source showed that the recently reported hint of a possible hard X-ray tail is not real and it is likely due to noisy background. The new XMM-Newton targeted observation did not detect any sign of strong X-ray outburst activity from the source despite being performed close to its periastron passage, on the contrary IGR J18483-0311 was caught during the common intermediate X-ray state with a low luminosity value of 3x10^33 erg s^-1 (0.5-10 keV). We discuss all the reported results in the framework of both spherically symmetric clumpy wind scenario and quasi-spherical settling accretion model.Comment: Accepted for publication on MNRAS. 10 pages, 7 figures, 1 tabl

Electron Dynamics in a Coupled Quantum Point Contact Structure with a Local Magnetic Moment

We develop a theoretical model for the description of electron dynamics in coupled quantum wires when the local magnetic moment is formed in one of the wires. We employ a single-particle Hamiltonian that takes account of the specific geometry of potentials defining the structure as well as electron scattering on the local magnetic moment. The equations for the wave functions in both wires are derived and the approach for their solution is discussed. We determine the transmission coefficient and conductance of the wire having the local magnetic moment and show that our description reproduces the experimentally observed features.Comment: Based on work presented at 2004 IEEE NTC Quantum Device Technology Worksho

Interfacial friction between semiflexible polymers and crystalline surfaces

The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with adjustable intrinsic stiffness. The structure and relaxation dynamics of polymer chains near interfaces are quantified by the radius of gyration and decay of the time autocorrelation function of the first normal mode. We found that the friction coefficient at small slip velocities exhibits a distinct maximum which appears due to shear-induced alignment of semiflexible chain segments in contact with solid walls. At large slip velocities the decay of the friction coefficient is independent of the chain stiffness. The data for the friction coefficient and shear viscosity are used to elucidate main trends in the nonlinear shear rate dependence of the slip length. The influence of chain stiffness on the relationship between the friction coefficient and the structure factor in the first fluid layer is discussed.Comment: 31 pages, 12 figure

The relationship between induced fluid structure and boundary slip in nanoscale polymer films

The molecular mechanism of slip at the interface between polymer melts and weakly attractive smooth surfaces is investigated using molecular dynamics simulations. In agreement with our previous studies on slip flow of shear-thinning fluids, it is shown that the slip length passes through a local minimum at low shear rates and then increases rapidly at higher shear rates. We found that at sufficiently high shear rates, the slip flow over atomically flat crystalline surfaces is anisotropic. It is demonstrated numerically that the friction coefficient at the liquid-solid interface (the ratio of viscosity and slip length) undergoes a transition from a constant value to the power-law decay as a function of the slip velocity. The characteristic velocity of the transition correlates well with the diffusion velocity of fluid monomers in the first fluid layer near the solid wall at equilibrium. We also show that in the linear regime, the friction coefficient is well described by a function of a single variable, which is a product of the magnitude of surface-induced peak in the structure factor and the contact density of the adjacent fluid layer. The universal relationship between the friction coefficient and induced fluid structure holds for a number of material parameters of the interface: fluid density, chain length, wall-fluid interaction energy, wall density, lattice type and orientation, thermal or solid walls.Comment: 33 pages, 14 figure

Droplet evaporation in one-component fluids: Dynamic van der Waals theory

In a one-component fluid, we investigate evaporation of a small axysymmetric liquid droplet in the partial wetting condition on a heated wall at $T\sim 0.9 T_c$. In the dynamic van der Waals theory (Phys. Rev. E {\bf 75}, 036304 (2007)), we take into account the latent heat transport from liquid to gas upon evaporation. Along the gas-liquid interface, the temperature is nearly equal to the equilibrium coexisting temperature away from the substrate, but it rises sharply to the wall temperature close to the substrate. On an isothermal substrate, evaporation takes place mostly on a narrow interface region near the contact line in a late stage, which is a characteristic feature in one-component fluids.Comment: 6 pages, 6 figure

Supersymmetry solution for finitely extensible dumbbell model

Exact relaxation times and eigenfunctions for a simple mechanical model of polymer dynamics are obtained using supersymmetry methods of quantum mechanics. The model includes the finite extensibility of the molecule and does not make use of the self-consistently averaging approximation. The finite extensibility reduces the relaxation times when compared to a linear force. The linear viscoelastic behaviour is obtained in the form of the ``generalized Maxwell model''. Using these results, a numerical integration scheme is proposed in the presence of a given flow kinematics.Comment: 5 pages, 2 figure

Influence of Magnetic Moment Formation on the Conductance of Coupled Quantum Wires

In this report, we develop a model for the resonant interaction between a pair of coupled quantum wires, under conditions where self-consistent effects lead to the formation of a local magnetic moment in one of the wires. Our analysis is motivated by the experimental results of Morimoto et al. [Appl. Phys. Lett. \bf{82}, 3952 (2003)], who showed that the conductance of one of the quantum wires exhibits a resonant peak at low temperatures, whenever the other wire is swept into the regime where local-moment formation is expected. In order to account for these observations, we develop a theoretical model for the inter-wire interaction that calculated the transmission properties of one (the fixed) wire when the device potential is modified by the presence of an extra scattering term, arising from the presence of the local moment in the swept wire. To determine the transmission coefficients in this system, we derive equations describing the dynamics of electrons in the swept and fixed wires of the coupled-wire geometry. Our analysis clearly shows that the observation of a resonant peak in the conductance of the fixed wire is correlated to the appearance of additional structure (near $0.75\cdot$ or $0.25\cdot 2e^2/h$) in the conductance of the swept wire, in agreement with the experimental results of Morimoto et al

Impact of high-energy tails on granular gas properties

The velocity distribution function of granular gases in the homogeneous cooling state as well as some heated granular gases decays for large velocities as $f\propto\exp(- {\rm const.} v)$. That is, its high-energy tail is overpopulated as compared with the Maxwell distribution. At the present time, there is no theory to describe the influence of the tail on the kinetic characteristics of granular gases. We develop an approach to quantify the overpopulated tail and analyze its impact on granular gas properties, in particular on the cooling coefficient. We observe and explain anomalously slow relaxation of the velocity distribution function to its steady state.Comment: 5 pages, 5 figure