Turbulence and secondary motions in square duct flow

We study turbulent flows in pressure-driven ducts with square cross-section through direct numerical simulation in a wide enough range of Reynolds number to reach flow conditions which are representative of fully developed turbulence. Numerical simulations are carried out over extremely long integration times to get adequate convergence of the flow statistics, and specifically high-fidelity representation of the secondary motions which arise. The intensity of the latter is found to be in the order of 1-2% of the bulk velocity, and unaffected by Reynolds number variations. The smallness of the mean convection terms in the streamwise vorticity equation points to a simple characterization of the secondary flows, which in the asymptotic high-Re regime are found to be approximated with good accuracy by eigenfunctions of the Laplace operator. Despite their effect of redistributing the wall shear stress along the duct perimeter, we find that secondary motions do not have large influence on the mean velocity field, which can be characterized with good accuracy as that resulting from the concurrent effect of four independent flat walls, each controlling a quarter of the flow domain. As a consequence, we find that parametrizations based on the hydraulic diameter concept, and modifications thereof, are successful in predicting the duct friction coefficient

Direct numerical simulation of supersonic pipe flow at moderate Reynolds number

We study compressible turbulent flow in a circular pipe at computationally high Reynolds number. Classical related issues are addressed and discussed in light of the DNS data, including validity of compressibility transformations, velocity/temperature relations, passive scalar statistics, and size of turbulent eddies. Regarding velocity statistics, we find that Huang's transformation yields excellent universality of the scaled Reynolds stresses distributions, whereas the transformation proposed by Trettel and Larsson (2016) yields better representation of the effects of strong variation of density and viscosity occurring in the buffer layer on the mean velocity distribution. A clear logarithmic layer is recovered in terms of transformed velocity and wall distance coordinates at the higher Reynolds number under scrutiny (Re τ ≈ 1000), whereas the core part of the flow is found to be characterized by a universal parabolic velocity profile. Based on formal similarity between the streamwise velocity and the passive scalar transport equations, we further propose an extension of the above compressibility transformations to also achieve universality of passive scalar statistics. Analysis of the velocity/temperature relationship provides evidence for quadratic dependence which is very well approximated by the thermal analogy proposed by Zhang et al. (2014). The azimuthal velocity and scalar spectra show an organization very similar to canonical incompressible flow, with a bump-shaped distribution across the flow scales, whose peak increases with the wall distance. We find that the size growth effect is well accounted for through an effective length scale accounting for the local friction velocity and for the local mean shear

Determination of Charge States of C60 Adsorbed on Metal Surfaces

The charge transfer per molecule in a C60 monolayer on Au(110), on K/Au(110)c(2×2), and on a K multilayer has been determined by studying the electronic excitations from the valence bands and from the C 1s core level and the vibrational modes of the systems by electron energy loss spectroscopy. The electrons transferred are 1±1, 3±1, and 6±1, respectively. These results indicate strong chemical bonding of C60 on such metal surfaces.

Direct numerical simulation of developed compressible flow in square ducts

We carry out direct numerical simulation of compressible square duct flow in the range of bulk Mach numbers M b =0.2−3, and up to friction Reynolds number Re τ =500. The effects of flow compressibility on the secondary motions are found to be negligible, with the typical Mach number associated with the cross-stream flow always less than 0.1. As in the incompressible case, we find that the wall law for the mean streamwise velocity applies with good approximation with respect to the nearest wall, upon suitable compressibility transformation. The same conclusion also applies to a passive scalar field, whereas the mean temperature does not exhibit inertial layers because of nonuniformity of the aerodynamic heating. We further find that the same temperature/velocity relation that holds for planar channels is applicable with good approximation for square ducts, and develop a similar relation between temperature and passive scalars

Direct numerical simulation of supersonic turbulent flows over rough surfaces

We perform direct numerical simulation of supersonic turbulent channel flow over cubical roughness elements, spanning bulk Mach numbers -, both in the transitional and fully rough regime. We propose a novel definition of roughness Reynolds number which is able to account for the viscosity variations at the roughness crest and should be used to compare rough-wall flows across different Mach numbers. As in the incompressible flow regime, the mean velocity profile shows a downward shift with respect to the baseline smooth wall cases, however, the magnitude of this velocity deficit is largely affected by the Mach number. Compressibility transformations are able to account for this effect, and data show a very good agreement with the incompressible fully rough asymptote, when the relevant roughness Reynolds number is used. Velocity statistics present outer layer similarity with the equivalent smooth wall cases, however, this does not hold for the thermal field, which is substantially affected by the roughness, even in the channel core. We show that this is a direct consequence of the quadratic temperature-velocity relation which is also valid for rough walls. Analysis of the heat transfer shows that the relative drag increase is always larger than the relative heat transfer enhancement, however, increasing the Mach number brings data closer to the Reynolds analogy line due to the rising relevance of the aerodynamic heating

STREAmS: A high-fidelity accelerated solver for direct numerical simulation of compressible turbulent flows

We present STREAmS, an in-house high-fidelity solver for direct numerical simulations (DNS) of canonical compressible wall-bounded flows, namely turbulent plane channel, zero-pressure gradient turbulent boundary layer and supersonic oblique shock-wave/boundary layer interaction. The solver incorporates state-of-the-art numerical algorithms, specifically designed to cope with the challenging problems associated with the solution of high-speed turbulent flows and can be used across a wide range of Mach numbers, extending from the low subsonic up to the hypersonic regime. From the computational viewpoint, STREAmS is oriented to modern HPC platforms thanks to MPI parallelization and the ability to run on multi-GPU architectures. This paper discusses the main implementation strategies, with particular reference to the CUDA paradigm, the management of a single code for traditional and multi-GPU architectures, and the optimization process to take advantage of the latest generation of NVIDIA GPUs. Performance measurements show that single-GPU optimization more than halves the computing time as compared to the baseline version. At the same time, the asynchronous patterns implemented in STREAmS for MPI communications guarantee very good parallel performance especially in the weak scaling spirit, with efficiency exceeding 97% on 1024 GPUs. For overall evaluation of STREAmS with respect to other compressible solvers, comparison with a recent GPU-enabled community solver is presented. It turns out that, although STREAmS is much more limited in terms of flow configurations that can be addressed, the advantage in terms of accuracy, computing time and memory occupation is substantial, which makes it an ideal candidate for large-scale simulations of high-Reynolds number, compressible wall-bounded turbulent flows. The solver is released open source under GPLv3 license. Program summary: Program Title: STREAmS CPC Library link to program files: https://doi.org/10.17632/hdcgjpzr3y.1 Developer's repository link: https://github.com/matteobernardini/STREAmS Code Ocean capsule: https://codeocean.com/capsule/8931507/tree/v2 Licensing provisions: GPLv3 Programming language: Fortran 90, CUDA Fortran, MPI Nature of problem: Solving the three-dimensional compressible Navier–Stokes equations for low and high Mach regimes in a Cartesian domain configured for channel, boundary layer or shock-boundary layer interaction flows. Solution method: The convective terms are discretized using a hybrid energy-conservative shock-capturing scheme in locally conservative form. Shock-capturing capabilities rely on the use of Lax–Friedrichs flux vector splitting and weighted essentially non-oscillatory (WENO) reconstruction. The system is advanced in time using a three-stage, third-order RK scheme. Two-dimensional pencil distributed MPI parallelization is implemented alongside different patterns of GPU (CUDA Fortran) accelerated routines

An Exact Solution for the Lattice Gas Model in One Dimension

A simple method to obtain a canonical partition function for one dimensional lattice gas model is presented. The simplification is based upon rewriting a sum over all possible configurations to a sum over numbers of clusters in the system.Comment: 6 pages, LaTe

Dissociation of CH Species on Ni(111):A HREELS Study

The isothermal dissociation rate of CCH and CH on Ni(111) was measured by following, with HREEL spectroscopy, the intensity of the CH stretching peak as a function of time. By repeating the experiment at several different temperatures we obtained an activation energy of 8±3 kcal/mol for the CCH dissociation reaction and of 12±3 kcal/mol for the CH dissociation reaction. Pre-exponential factors were found to be 10^3±1 s-1 in both cases. Independent thermal desorption spectra show a feature at 470 K and a tail extending up to 600 K which can be assigned to the CCH dissociation and the CH dissociation respectively. The two experiments are quantitatively consistent

Correction of systematic errors in scanning tunnelling spectra on semiconductor surfaces: the energy gap of Si(111)-7x7 at 0.3 K

The investigation of the electronic properties of semiconductor surfaces using scanning tunnelling spectroscopy (STS) is often hindered by non-equilibrium transport of the injected charge carriers. We propose a correction method for the resulting systematic errors in STS data, which is demonstrated for the well known Si(111)-(7x7) surface. The surface has an odd number of electrons per surface unit cell and is metallic above 20 K. We observe an energy gap in the ground state of this surface by STS at 0.3 K. After correction, the measured width of the gap is (70 +- 15) meV which is compatible with previous less precise estimates. No sharp peak of the density of states at the Fermi level is observed, in contrast to proposed models for the Si(111)-(7x7) surface.Comment: 10 pages, 4 figure