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At least 91 records · Page 5

Bridging the Transition from Mesoscale to Microscale Turbulence in Numerical Weather Prediction Models

With a focus towards developing multiscale capabilities in numerical weather prediction models, the specific problem of the transition from the mesoscale to the microscale is investigated. For that purpose, idealized one-way nested mesoscale to large-eddy simulation (LES) experiments were carried out using the Weather Research and Forecasting model framework. It is demonstrated that switching from one-dimensional turbulent diffusion in the mesoscale model to three-dimensional LES mixing does not necessarily result in an instantaneous development of turbulence in the LES domain. However, very large fetches are needed for the natural transition to turbulence to occur. The computational burden imposed by these long fetches necessitates the development of methods to accelerate the generation of turbulence on a nested LES domain forced by a smooth mesoscale inflow. To that end, four new methods based upon finite amplitude perturbations of the potential temperature field along the LES inflow boundaries are developed, and investigated under convective conditions. Each method accelerated the development of turbulence within the LES domain, with two of the methods resulting in a rapid generation of production and inertial range energy content associated to microscales that is consistent with non-nested simulations using periodic boundary conditions. The cell perturbation approach, the simplest and most efficient of the best performing methods, was investigated further under neutral and stable conditions. Successful results were obtained in all the regimes, where satisfactory agreement of mean velocity, variances and turbulent fluxes, as well as velocity and temperature spectra, was achieved with reference non-nested simulations. In contrast, the non-perturbed LES solution exhibited important energy deficits associated to a delayed establishment of fully-developed turbulence. The cell perturbation method has negligible computational cost, significantly accelerates the generation of realistic turbulence, and requires minimal parameter tuning, with the necessary information relatable to mean inflow conditions provided by the mesoscale solution.

17 WIND ENERGY↗

Suppressing the numerical Cherenkov radiation in the Yee numerical scheme

The next generation of laser facilities will routinely produce relativistic particle beams from the interaction of intense laser pulses with solids and/or gases. Their modeling with Particle-In-Cell (PIC) codes needs dispersion-free Maxwell solvers in order to properly describe the interaction of electromagnetic waves with relativistic particles. A particular attention is devoted to the suppression of the numerical Cherenkov instability, responsible for the noise generation. It occurs when the electromagnetic wave is artificially slowed down because of the finite mesh size, thus allowing for the high energy particles to propagate with super-luminous velocities. In the present paper, we show how a slight increase of the light velocity in the Maxwell's equations enables to suppress this instability while keeping a good overall precision of calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical Simulation and Experimental Validation of Joint Performance in Aluminum-Steel Lap Welds Formed by Friction Stir Dovetailing

Friction stir dovetailing (FSD) is a new dissimilar material joining process that simultaneously forms a mechanical interlock and metallurgical bond at the dissimilar material interface. This work presents development of a modeling and simulation approach to predict mechanical performance of FSD thick section aluminum to steel joints. A finite element analysis (FEA) was carried out in order to predict the load-carrying capacity and failure location for aluminum thicknesses between 12.7 mm and 50.8 mm with different numbers of dovetails. The numerical results and corresponding experimental investigation are in agreement and suggest that the developed methods can be used effectively for design and analysis of FSD joints using standard FEA tools.

Friction stir dovetailing, Friction stir welding, ↗

Numerical study and test of the APS linac transverse deflecting cavity

The transverse deflecting cavity can be used to transform particle distributions in the 6D phase space, which makes it a promising component in phase space beam diagnostics and beam manipulations. In the Advanced Photon Source (APS) Linac, a LOLA-type traveling wave deflecting cavity was installed for the diagnostics of beam characteristics, such as the bunch length, bunch temporal profile, time-dependent energy spread and slice (time-correlated) transverse emittance. In this paper, this deflecting cavity is modeled and analyzed with the numerical method. The effects of the center cell and coupler cell dimensions on the performance of the whole structure are studied, which shows the coupler cell radius has a dominant effect over the coupler cell length and slot width on the global reflection coefficient and field flatness. Important RF parameters, such as S-11, field flatness and phase advance etc., of the LOLA-II cavity in tuning are calculated and discussed. After optimization, the field flatness of the cavity is 2.1%, the phase advance is 119.66 degrees degrees with a standard deviation smaller than 0.5 degrees and the bandwidth is 15.738 MHz when VSWR < 1.1 (i.e. the S-11, < -26 dB). Bead-pull measurements and RF conditioning have been also performed and discussed. Finally, the initial cavity commissioning with electron beam of 375 MeV is reported, and compared with simulation.

coupler↗

Direct numerical simulations of a high Karlovitz number laboratory premixed jet flame – an analysis of flame stretch and flame thickening [Direct numerical simulations of a high Ka laboratory premixed jet flame - an analysis of flame stretch and flame thickening]

This article reports an analysis of the first detailed chemistry direct numerical simulation (DNS) of a high Karlovitz number laboratory premixed flame. The DNS results are first compared with those from laser-based diagnostics with good agreement. The subsequent analysis focuses on a detailed investigation of the flame area, its local thickness and their rates of change in isosurface following reference frames, quantities that are intimately connected. The net flame stretch is demonstrated to be a small residual of large competing terms: the positive tangential strain term and the negative curvature stretch term. The latter is found to be driven by flame speed–curvature correlations and dominated in net by low probability highly curved regions. Flame thickening is demonstrated to be substantial on average, while local regions of flame thinning are also observed. The rate of change of the flame thickness (as measured by the scalar gradient magnitude) is demonstrated, analogously to flame stretch, to be a competition between straining tending to increase gradients and flame speed variations in the normal direction tending to decrease them. The flame stretch and flame thickness analyses are connected by the observation that high positive tangential strain rate regions generally correspond with low curvature regions; these regions tend to be positively stretched in net and are relatively thinner compared with other regions. Finally, high curvature magnitude regions (both positive and negative) generally correspond with lower tangential strain; these regions are in net negatively stretched and thickened substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simple and General Unitarity Conserving Numerical Real-Time Propagators of the Time-Dependent Schrödinger Equation Based on Magnus Expansion

Magnus expansion (ME) provides a general way to expand the real-time propagator of a time-dependent Hamiltonian within the exponential such that the unitarity is satisfied at any order. Here, we use this property and explicit integration of Lagrange interpolation formulas for the time-dependent Hamiltonian within each time interval and derive approximations that preserve unitarity for the differential time evolution operators of general time-dependent Hamiltonians. The resulting second-order approximation is the same as using the average of Hamiltonians for two end points of time. We identify three fourth-order approximations involving commutators of Hamiltonians at different times and also derive a sixth-order expression. A test of these approximations along with other available expressions for a two-state time-dependent Hamiltonian with sinusoidal time dependences provides information on the relative performance of these approximations and suggests that the derived expressions can serve as useful numerical tools for time evolution in time-resolved spectroscopy, quantum control, quantum sensing, real-time ab initio quantum dynamics, and open system quantum dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical Simulation of Vibrational Sum Frequency Generation Intensity for Non-Centrosymmetric Domains Interspersed in an Amorphous Matrix: A Case Study for Cellulose in Plant Cell Wall

Vibrational sum frequency generation (SFG) spectroscopy can specifically probe molecular species non-centrosymmetrically arranged in a centrosymmetric or isotropic medium. This capability has been extensively utilized to detect and study molecular species present at the two-dimensional (2D) interface at which the centrosymmetry or isotropy of bulk phases is naturally broken. The same principle has been demonstrated to be very effective for the selective detection of non-centrosymmetric crystalline nanodomains interspersed in three-dimensional (3D) amorphous phases. However, the full spectral interpretation of SFG features has been difficult due to the complexity associated with the theoretical calculation of SFG responses of such 3D systems. This paper describes a numerical method to predict the relative SFG intensities of non-centrosymmetric nanodomains in 3D systems as functions of their size and concentration as well as their assembly patterns, i.e., the distributions of tilt, azimuth, and rotation angles with respect to the lab coordinate. We applied the developed method to predict changes in the CH and OH stretch modes characteristic to crystalline cellulose microfibrils distributed with various orders, which are relevant to plant cell wall structures. As a result, the same algorithm can also be applied to any SFG-active nanodomains interspersed in 3D amorphous matrices.

36 MATERIALS SCIENCE↗

Convergence of Cloud Droplet Spectral Relative Dispersion During Entrainment‐Mixing Based on Particle‐Resolved Direct Numerical Simulations

Entrainment-mixing processes critically impact cloud microphysical properties, but their effects on the relative dispersion (d) of cloud droplet size distributions (CDSDs) remain elusive. A direct numerical simulation model is initialized with different CDSDs to fill the gap. These results show that d decreases for broad CDSDs and increases for narrow ones, ultimately converging to approximately 0.5 regardless of initial CDSDs during the evaporation-dominated mixing stage. The supersaturation fluctuation and the shape of CDSDs jointly influence the convergence behavior of d. Further sensitivity tests show that the initial microphysical/dynamical/thermodynamical conditions exert negligible effects on the final converged value of d but affect the convergence rate (k). The k generally increases with increasing droplet number concentration and dissipation rate, and increases with decreasing liquid water content, relative humidity of entrained air, and mixing fraction of cloudy air. A conceptual model with two timescales is proposed; k and the timescales are negatively correlated, meaning that slow mixing and/or evaporation process results in slow convergence of d. In conclusion, this finding provides an important reference for improving understanding and parameterization of d during the entrainment-mixing processes.

54 ENVIRONMENTAL SCIENCES↗

How numerical simulations helped to achieve breakeven on the NIF

The inertial confinement fusion program relies upon detailed simulations with inertial confinement fusion (ICF) codes to design targets and to interpret the experimental results. These simulations treat as much physics from essential principles as is practical, including laser deposition, cross beam energy transfer, x-ray production and transport, nonlocal thermal equilibrium kinetics, thermal transport, hydrodynamic instabilities, thermonuclear burn, and transport of reaction products. Improvements in radiation hydrodynamic code capabilities and vast increases in computing power have enabled more realistic, accurate 3D simulations that treat all known asymmetry sources. We describe how numerical simulations helped to guide the program, assess the impediments to breakeven, and optimize every aspect of target design. A preshot simulation of the first National Ignition Facility experiment that surpassed breakeven predicted an increased yield that matches the experimental result, within the preshot predicted uncertainty, with a target gain of 1.5. We will cover the key developments in Lawrence Livermore National Laboratory ICF codes that enabled these simulations and give specific examples of how they helped to guide the program.

Marinak, M. M. (ORCID:0009000331127696)↗

Numerical solution of the Sinanoǧlu equation using a multicentre radial-angular grid

The pair functions that minimize the correlation energy of second-order many-body perturbation (MP2) theory (the Hylleraas functional) are obtained as solutions to the corresponding Sinanoglu equation by expanding them on a six-dimensional, multicenter, radial-angular grid of two electrons. Cusps in the pair functions at the nuclei are described numerically accurately by the multicenter grid. A cusp in each singlet pair function at the coalescence of the two electrons is taken into account analytically by a correlation factor. With a grid of approximately 10,000 points per atom, the MP2 correlation energies for atoms and polyatomic molecules are obtained usually within 0.1 mE h of the complete-basis-set results. The correlation factor, auxiliary basis functions, and a judicious choice of integration algorithms are all necessary to stabilize the grid-based MP2 and underlying Hartree–Fock (HF) calculations. The auxiliary basis set, in particular, largely restores the Hermiticity and diagonal dominance of the Fock matrix as well as furnishes virtual orbitals used in a resolution-of-the-identity approximation to lower the dimension of some integrals. The results of the grid-based HF and MP2 calculations without a correlation factor are found to suffer from large, nonsystematic errors frequently.

Many-body perturbation theory↗

Comprehensive numerical methodology for direct numerical simulations of compressible Rayleigh-Taylor instability

A comprehensive numerical methodology has been developed that handles the challenges introduced by considering the compressive nature of Rayleigh-Taylor instability (RTI) systems, which include sharp interfacial density gradients on strongly stratified background states, acoustic wave generation and removal at computational boundaries, and stratification-dependent vorticity production. The computational framework is used to simulate two-dimensional single-mode RTI to extreme late-times for a wide range of flow compressibility and variable density effects. The results show that flow compressibility acts to reduce the growth of RTI for low Atwood numbers, as predicted from linear stability analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Can reanalysis products outperform mesoscale numerical weather prediction models in modeling the wind resource in simple terrain?

Mesoscale numerical weather prediction (NWP) models are generally considered more accurate than reanalysis products in characterizing the wind resource at heights of interest for wind energy, given their finer spatial resolution and more comprehensive physics. However, advancements in the latest ERA-5 reanalysis product motivate an assessment on whether ERA-5 can model wind speeds as well as a state-of-the-art NWP model – the Weather Research and Forecasting (WRF) Model. We consider this research question for both simple terrain and offshore applications. Specifically, we compare wind profiles from ERA-5 and the preliminary WRF runs of the Wind Integration National Dataset (WIND) Toolkit Long-term Ensemble Dataset (WTK-LED) to those observed by lidars at a site in Oklahoma, United States, and in a United States Atlantic offshore wind energy area. We find that ERA-5 shows a significant negative bias (~-1ms-1) at both locations, with a larger bias at the land-based site. WTK-LED-predicted wind speed profiles show a limited negative bias (~-0.5ms-1) offshore and a slight positive bias (~+0.5ms-1) at the land-based site. On the other hand, we find that ERA-5 outperforms WTK-LED in terms of the centered root-mean-square error (cRMSE) and correlation coefficient, for both the land-based and offshore cases, in all atmospheric stability conditions. We find that WTK-LED's higher cRMSE is caused by its tendency to overpredict the amplitude of the wind speed diurnal cycle. At the land-based site, this is partially caused by wind plant wake effects not being accurately captured by WTK-LED.

17 WIND ENERGY↗

Numerical calculation of subsonic jets in crossflow with reduced numerical diffusion

A series of calculations are reported for two, subsonic jet in crossflow geometries. The parametric variation examined are the lateral spacing of a row of jets. The first series of calculations corresponds to a widely space jet geometry, S/D = 4, and the second series corresponds to closely spaced jets, S/D = 2. The calculations are done with alternate differencing schemes to illustrate the impact of numerical diffusion. The calculated jet trajectories agreed well with experimental data in the widely spaced jet geometry, but not in the closely spaced geometry.

Claus, R. W.↗

Numerical calculation of subsonic jets in crossflow with reduced numerical diffusion

A series of calculations are reported for two, subsonic jet in crossflow geometries. The parametric variation examined are the lateral spacing of a row of jets. The first series of calculations corresponds to a widely space jet geometry, S/D = 4, and the second series corresponds to closely spaced jets, S/D = 2. The calculations are done with alternate differencing schemes to illustrate the impact of numerical diffusion. The calculated jet trajectories agreed well with experimental data in the widely spaced jet geometry, but not in the closely spaced geometry.

Claus, R. W.↗

Numerical simulation of boundary layers. Part 1: Weak formulation and numerical method

A numerical method designed to solve the time-dependent, three-dimensional, incompressible Navier-Stokes equations in boundary layers is presented. The fluid domain is the half-space over a flat plate, and periodic conditions are applied in the horizontal directions. The discretization is spectral. The basis functions are divergence-free and a weak formulation of the momentum equation is used, which eliminates the pressure term. An exponential mapping and Jacobi polynomials are used in the semi-infinite direction, with the irrotational component receiving special treatment. Issues related to the accuracy, stability and efficiency of the method are discussed. Very fast convergence is demonstrated on some model problems with smooth solutions. The method has also been shown to accurately resolve the fine scales of transitional and turbulent boundary layers.

Spalart, P. R.↗