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At least 127 records · Page 7

Multilevel Spectral Coarsening for Graph Laplacian Problems with Application to Reservoir Simulation

We extend previously developed two-level coarsening procedures for graph Laplacian problems written in a mixed saddle point form to the fully recursive multilevel case. The resulting hierarchy of discretizations gives rise to a hierarchy of upscaled models, in the sense that they provide approximation in the natural norms (in the mixed setting). This property enables us to utilize them in three applications: (i) as an accurate reduced model, (ii) as a tool in multilevel Monte Carlo simulations (in application to finite volume discretizations), and (iii) for providing a sequence of nonlinear operators in a full approximation scheme for solving nonlinear pressure equations discretized by the conservative two-point flux approximation. Finally, we illustrate the potential of the proposed multilevel technique in all three applications on a number of popular benchmark problems used in reservoir simulation.

multilevel Monte Carlo↗

The Substorm Cycle as Reproduced by Global MHD Models

Recently, Gordeev et al. (2015) suggested a method to test global MHD models against statistical empirical data. They showed that four community-available global MHD models supported by the Community Coordinated Modeling Center (CCMC) produce a reasonable agreement with reality for those key parameters (the magnetospheric size, magnetic field, and pressure) that are directly related to the large-scale equilibria in the outer magnetosphere. Based on the same set of simulation runs, here we investigate how the models reproduce the global loading-unloading cycle. We found that in terms of global magnetic flux transport, three examined CCMC models display systematically different response to idealized2 h north then 2 h south interplanetary magnetic field (IMF) Bz variation. The LFM model shows a depressed return convection and high loading rate during the growth phase as well as enhanced return convection and high unloading rate during the expansion phase, with the amount of loaded unloaded magnetotail flux and the growth phase duration being the closest to their observed empirical values during isolated substorms. Two other models exhibit drastically different behavior. In the BATS-R-US model the plasma sheet convection shows a smooth transition to the steady convection regime after the IMF southward turning. In the Open GGCM a weak plasma sheet convection has comparable intensities during both the growth phase and the following slow unloading phase. We also demonstrate potential technical problem in the publicly available simulations which is related to post processing interpolation and could affect the accuracy of magnetic field tracing and of other related procedures.

Gordeev, E.↗

Efficient and Robust Weighted Least-Squares Cell-Average Gradient Construction Methods for the Simulation of Scramjet Flows

The ability to solve the equations governing the hypersonic turbulent flow of a real gas on unstructured grids using a spatially-elliptic, 2nd-order accurate, cell-centered, finite-volume method has been recently implemented in the VULCAN-CFD code. The construction of cell-average gradients using a weighted linear least-squares method and the use of these gradients in the construction of the inviscid fluxes is the focus of this paper. A comparison of least-squares stencil construction methodologies is presented and approaches designed to minimize the number of cells used to augment/stabilize the least-squares stencil while preserving accuracy are explored. Due to our interest in hypersonic flow, a robust multidimensional cell-average gradient limiter procedure that is consistent with the stencil used to construct the cellaverage gradients is described. Canonical problems are computed to illustrate the challenges and investigate the accuracy, robustness and convergence behavior of the cell-average gradient methods on unstructured cell-centered finite-volume grids. Finally, thermally perfect, chemically frozen, Mach 7.8 turbulent flow of air through a scramjet engine flowpath is computed and compared with experimental data to demonstrate the robustness, accuracy and convergence behavior of the preferred gradient method for a realistic 3-D geometry on a non-hex-dominant grid.

White, Jeffery A.↗

Rejection of malathion by nanofiltration and reverse osmosis membranes exposed to foulant and two clean-in-place procedures

This research tested the treatment efficacy of an Energy Savings Nanofiltration 1 Low Fouling (ESNA 1-LF) nanofiltration (NF) and an Energy Saving Polyamide 2 (ESPA2) reverse osmosis (RO) membrane for removing malathion from water. Both membranes are of composite polyamide construction. The study included measuring malathion rejection using both pristine membranes and membranes exposed to a simulated secondary wastewater effluent foulant before and after two types of clean-in-place procedures. Across all conditions studied, malathion rejection ranged from 84 to 95% for the ESNA1-LF NF membrane and 77 to 94% for the ESPA2 RO membrane. Contact angle measurements were also collected for each membrane exposure condition. While the contact angle measurements indicated changes to the hydrophobicity of the selective layer of the membranes, they did not correlate to changes in the performance of malathion rejection. As expected, it was observed that malathion rejection improved with the introduction of foulant. Also, the clean-in-place procedures helped restore flux while maintaining malathion rejection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure of Offshore Low-Level Jet Turbulence and Implications to Mesoscale-to-Microscale Coupling

This paper explores realistic nonstationary atmospheric boundary layer (ABL) turbulence arising from nonstationarity at the mesoscale, particularly within offshore low-level jets with implications to offshore wind farms, using high-fidelity multiscale large-eddy simulations (LES). To this end, we analyzed the single-point turbulence statistical structure of a North-Atlantic offshore LLJ event simulated using high-resolution LES (AMR-Wind). The nonstationary LLJ is simulated using a mesoscale-to-microscale coupled (MMC) simulation procedure involving data assimilation of mesoscale velocity and temperature data from the Weather Research and Forecasting (WRF) model. Unlike the assimilation of mesoscale velocity data into the LES, the direct assimilation of temperature profiles had a strong impact on turbulence stratification, thereby causing erroneous predictions of turbulence both above and within the jet layer. Various approaches to mitigate this effect have resulted in multiple (four) variants of this MMC strategy. Outcomes from this work clearly show that the turbulence within the low-level jet is a strong function of the MMC approach as the turbulence structure within the low-level jet is dependent on the flux of residual turbulence from outside the jet, which in turn depends on the temperature forcing history. Additionally, the turbulence predicted by all these different methods (as well as the observation data) show similar deviations from equilibrium as evidenced by comparisons with idealized atmospheric turbulence structure obtained using the same numerical method. In general, we observe that the predicted LLJ turbulence tends to differ from canonical ABL turbulence with comparable shear. Particularly, the combination of shear and turbulence observed in such nonstationary low-level turbulence cannot be matched using equilibrium settings and therefore, represents a critical use-case for both testing and leveraging meso–micro coupling strategies.

17 WIND ENERGY↗

Beyond Basic Drag in Interplanetary CME Modeling: Effects of Solar Wind Pileup and High-Speed Streams

Coronal mass ejections (CMEs) cause severe space weather effects throughout our solar system. As a fast CME propagates through interplanetary space, it accumulates solar wind materials at its front. This pileup of materials, or CME-driven sheath, can be important in determining the geoeffectiveness of a CME. We take an existing arrival time model that includes expansion and deformation of the CME flux rope (ANTEATR; Kay & Gopalswamy, 2018, https://doi.org/10.1029/2018JA025780; Kay & Nieves-Chinchilla, 2021a, https://doi.org/10.1029/2020JA028911) and add a pileup procedure (PUP) as a physics-based approach to modeling the CME-driven sheath. ANTEATR-PUP solves the Rankine-Hugoniot equations for an oblique shock to determine the shock speed and sheath density, magnetic field, and temperature. The extra sheath mass affects the background drag calculation. Additionally, ANTEATR can now use any 1D profile for the background solar wind as opposed to the simple empirical models it previously relied upon. We present initial results from ANTEATR-PUP and compare with previous ANTEATR findings. Using results from an MHD simulation, we explore the effects of interactions with a static high-speed stream (HSS) on the CME's and sheath's interplanetary evolution. The drag forces essentially disappear while a CME remains within the HSS, but reappear stronger once the CME exits. The HSS-CME interaction produces the largest changes in the CME and sheath properties at 1 au when it occurs either close to the Sun near the inner simulation boundary at 0.1 au or right before the CME reaches 1 au. We estimate that these changes could significantly affect the geoeffectiveness.

C Kay↗

The importance of delayed neutron precursors in gamma dose calculations for activated primary heat exchanger components in the Molten Salt Breeder Reactor

The Molten Salt Reactor (MSR) Multiphysics Applications technical area in the Nuclear Energy Advanced Modeling and Simulation program has supported the development of 3D Monte Carlo models of the Molten Salt Breeder Reactor (MSBR) over the last couple of years. This MSBR model was previously run with the Shift Monte Carlo code to perform radiation shielding calculations in the reactor cell area. The MSBR is a 2250 MWth (1000 MWe) liquid-fueled molten salt reactor design developed at Oak Ridge National Laboratory in the 1970s. Determining the source terms from activated primary heat exchanger (HX) components is important because delayed and prompt neutron fluxes incident on these components affect the dose rate in the primary HX maintenance areas. This information can be used in the development of remote handling procedures required during shutdown for maintenance. A methodology has been developed and is proposed in this paper to quantify the activated source term from the primary HX components as a result of the movement of the delayed neutron precursors in flowing primary fuel salt through the primary HXs in the MSBR. The goal of this research is to evaluate the gamma dose rates in the maintenance hatches above the primary HX using the activated HX source terms. The study showed that the gamma dose rates are approximately two orders of magnitudes higher when accounting for the neutron activation from the movement of delayed neutron precursors through the HXs than when flowing fuel is not considered. Thus, the movement of delayed neutron precursors must be taken into account for accurately predicting the neutron activation of primary loop components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Simulation of Spatial and Temporal Radiation Exposures for ISS in the South Atlantic Anomaly

The International Space Station (ISS) living areas receive the preponderance of ionizing radiation exposure from Galactic Cosmic Rays (GCR) and geomagnetically trapped protons. Practically all trapped proton exposure occurs when the ISS passes through the South Atlantic Anomaly (SAA) region. The fact that this region is in proximity to a trapping mirror point indicates that the proton flux is highly directional. The inherent shielding provided by the ISS structure is represented by a recently-developed CAD model of the current 11-A configuration. Using modeled environment and configuration, trapped proton exposures have been analytically estimated at selected target points within the Service and Lab Modules. The results indicate that the directional flux may lead to substantially different exposure characteristics than the more common analyses that assume an isotropic environment. Additionally, predictive capability of the computational procedure should allow sensitive validation with corresponding on-board directional dosimeters.

Anderson, Brooke M.↗

Predicting large-scale pool fire dynamics using an unsteady flamelet- and large-eddy simulation-based model suite

A low-Mach, unstructured, large-eddy-simulation-based, unsteady flamelet approach with a generalized heat loss combustion methodology (including soot generation and consumption mechanisms) is deployed to support a large-scale, quiescent, 5-m JP-8 pool fire validation study. The quiescent pool fire validation study deploys solution sensitivity procedures, i.e., the effect of mesh and time step refinement on capturing key fire dynamics such as fingering and puffing, as mesh resolutions approach O(1) cm. A novel design-order, discrete-ordinate-method discretization methodology is established by use of an analytical thermal/participating media radiation solution on both low-order hexahedral and tetrahedral mesh topologies in addition to quadratic hexahedral elements. Here, the coupling between heat losses and the flamelet thermochemical state is achieved by augmenting the unsteady flamelet equation set with a heat loss source term. Soot and radiation source terms are determined using flamelet approaches for the full range of heat losses experienced in fire applications including radiative extinction. The proposed modeling and simulation paradigm are validated using pool surface radiative heat flux, maximum centerline temperature location, and puffing frequency data, all of which are predicted within 10% accuracy. Simulations demonstrate that under-resolved meshes predict an overly conservative radiative heat flux magnitude with improved comparisons as compared to a previously deployed hybrid Reynolds-averaged Navier–Stokes/eddy dissipation concept-based methodology.

42 ENGINEERING↗

Rime ice accretion and its effect on airfoil performance

A methodology was developed to predict the growth of rime ice, and the resulting aerodynamic penalty on unprotected, subcritical, airfoil surfaces. The system of equations governing the trajectory of a water droplet in the airfoil flowfield is developed and a numerical solution is obtained to predict the mass flux of super cooled water droplets freezing on impact. A rime ice shape is predicted. The effect of time on the ice growth is modeled by a time-stepping procedure where the flowfield and droplet mass flux are updated periodically through the ice accretion process. Two similarity parameters, the trajectory similarity parameter and accumulation parameter, are found to govern the accretion of rime ice. In addition, an analytical solution is presented for Langmuir's classical modified inertia parameter. The aerodynamic evaluation of the effect of the ice accretion on airfoil performance is determined using an existing airfoil analysis code with empirical corrections. The change in maximum lift coefficient is found from an analysis of the new iced airfoil shape. The drag correction needed due to the severe surface roughness is formulated from existing iced airfoil and rough airfoil data. A small scale wind tunnel test was conducted to determine the change in airfoil performance due to a simulated rime ice shape.

Bragg, M. B.↗

Global pressure relaxation for laminar two-dimensional internal flow

This study extends the reduced Navier-Stokes (RNS) global pressure relaxation procedure developed by Rubin and co-workers for external flow to internal flow applications. The streamwise pressure gradient is split into a backward-differenced or initial value component, as in boundary layer marching, and a forward-differenced or boundary value component that represents the elliptic downstream effects. The streamwise convection terms are upwind-differenced and all other streamwise derivatives are backward-differenced. A standard boundary layer marching technique imbedded in a conventional line relaxation technique is obtained. For compressible flow the pressure iteration determines the interior flow interaction as well as the inlet mass flux that is consistent with the outflow pressure boundary condition. Results have been computed for incompressible flow in both rectangular and curved channels, and for subsonic compressible flow in the simulation of an aerofoil in a wind tunnel. Converged solutions were obtained over a range of Reynolds numbers generating small to moderately large separation bubbles.

Rosenbaum, D.↗

Assembly and Analysis of Cell-Scale Membrane Envelopes

The march toward exascale computing will enable routine molecular simulation of larger and more complex systems, for example, simulation of entire viral particles, on the scale of approximately billions of atoms-a simulation size commensurate with a small bacterial cell. Anticipating the future hardware capabilities that will enable this type of research and paralleling advances in experimental structural biology, efforts are currently underway to develop software tools, procedures, and workflows for constructing cell-scale structures. Herein, we describe our efforts in developing and implementing an efficient and robust workflow for construction of cell-scale membrane envelopes and embedding membrane proteins into them. A new approach for construction of massive membrane structures that are stable during the simulations is built on implementing a subtractive assembly technique coupled with the development of a structure concatenation tool (fastmerge), which eliminates overlapping elements based on volumetric criteria rather than adding successive molecules to the simulation system. Using this approach, we have constructed two "protocells" consisting of MARTINI coarse-grained beads to represent cellular membranes, one the size of a cellular organelle and another the size of a small bacterial cell. The membrane envelopes constructed here remain whole during the molecular dynamics simulations performed and exhibit water flux only through specific proteins, demonstrating the success of our methodology in creating tight cell-like membrane compartments. Extended simulations of these cell-scale structures highlight the propensity for nonspecific interactions between adjacent membrane proteins leading to the formation of protein microclusters on the cell surface, an insight uniquely enabled by the scale of the simulations. We anticipate that the experiences and best practices presented here will form the basis for the next generation of cell-scale models, which will begin to address the addition of soluble proteins, nucleic acids, and small molecules essential to the function of a cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In situ monitoring of the stopped muon flux at Mu2e

The specific object of Mu2e search is the neutrino-less coherent $\mu^-\rightarrow e^-$ conversion in the field of an aluminum nucleus and the signal is a monoenergetic electron of energy $ \approx 104.97$ MeV. This process is forbidden in the Standard Model but allowed in many of its extensions: with minimal changes to include neutrino masses and oscillation, the Branching Ratio of this process, or the similarly interesting $\mu\rightarrow e \gamma$ decay, is expected to be of the order of $\mathcal{O}(10^{-54})$. Values like these are below any currently achievable experimental sensitivity, and the observation of a signal would be unambiguous evidence of New Physics. The upper limit on the muon conversion was set by SINDRUM II at $7\times10^{-13}$ (90\% C.L.) and the goal of the Mu2e collaboration is an improvement of 4 order of magnitudes.\\ The Mu2e experiment can be conceptually divided into three stages: interaction of the primary proton pulse with the tungsten target a nd production of $\pi$ and $\mu$; collection and transport of the produced particles down to the aluminum stopping target; interaction with the stopping target and measurement of the output particles. The measurement of the stopped muon flux is of cardinal importance for the normalization of the Mu2e results. The baseline design includes two detectors developed to measure this flux, counting $\gamma$ emitted by the muonic atoms: HPGe and LaBr$_3$(Ce). The studies performed by the Mu2e Collaboration show that these two systems can be reliably used to determine the overall normalization.\\ The number of stopped muons is proportional to the number of protons on target, which itself depends on the extraction system for the proton beam. The Mu2e beam delivery system will use a resonant extraction to create the proton pulses and this method is characterized by intensity fluctuations on the time scale of milliseconds. These fluctuations, aside from the proportional fluctuation of t he number of muons, have a non-trivial impact on the overall! performance of the apparatus. For example, higher intensity proton bunches translate into higher veto rates by the Cosmic Rays Veto system, which is triggered by secondary particles generated by the proton interaction. Another example is the effect of the instantaneous luminosity on the reconstruction efficiency: higher intensity translates into higher detector occupancy, which in turn reduces the reconstruction efficiency.\\ The two cited detectors encounter limitations when trying to monitor the flux at the millisecond timescales: HPGe is by construction a slow detector while the rate of emission of the $\gamma (1809\textrm{ keV})$ the LaBr$_3$(Ce) will measure is too low. As of today, no system allows to monitor these fluctuations and the goal of this Thesis is to try filling this gap. The method we developed to monitor the fluctuations of the stopped muon flux, and by extension, the fluctuation in the proton pulses intensity is based on counting the number of muons capt ured in the stopping target by counting the number of protons produced in the process of the nuclear muon capture. This is one of the possible processes a stopped muon can undergo and it can lead to the ejection of charged particles.\\ The reconstruction algorithms were developed by the Mu2e collaboration with the explicit (and sometimes implicit) aim to reconstruct tracks of electrons in an energy range of a conversion electron. The protons we are interested in behave quite differently from these electrons and the cardinal task of this study has been to tailor the reconstruction routines to these particles. This has been done by analyzing simulated events consisting of a single proton to optimize the procedure and understand the features of these tracks. A major difference with respect to the electrons is the non-relativistic nature of $100\div300$ MeV$/c$ protons: accounting for the low velocity is both a challenge and a unique signature of the tracks.\\ The use of a pulse d beam and the need to allow produced $\pi$ to decay and $\m! u$ to int! eract in the stopping target forces the definition of a Mu2e \textit{event}: an event is comprised by everything which happens in a $1.7\ \mu$s window between the incidence two consecutive proton pulses. This means that the reconstruction will be performed in an environment crowded by many different particles. The next step of this study has been to estimate the performance of the method in a fully-fledged Mu2e simulated event and to study what kind of selections would improve it.\\ Our results are satisfactory since the number of reconstructed protons is significant (few per event), and show that a monitor on the timescale of milliseconds is indeed possible.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Ultraviolet Galaxy Counts From STIS Observations of The Hubble Deep Fields

We present galaxy counts in the near and far ultraviolet (NUV and FUV) obtained from Space Telescope Imaging Spectrograph (STIS) observations of portions of the Hubble Deep Field North, (HDFN), the Hubble Deep Field South, (HDFS) and a parallel field near the HDFN. All three fields have deep (AB>29) optical imaging, and we determine magnitudes by taking the ultraviolet flux detected within the limiting optical isophote. An analysis of the UV-optical colors of detected objects, combined with a visual inspection of the UV images, indicates that there are no detectable objects in the UV images which are not also detected in the optical. We measure the detection area and completeness as a function of magnitude by taking the size-magnitude distribution of galaxies in the entire HDFN WFPC2 V+I image, applying the measured UV-optical colors from the detected galaxies, and determining the total area over which each galaxy would have been detected in the UV images. The average area for the simulated galaxies in each UV magnitude bin, (including galaxies which would not be detected at all), provides the effective area and completeness for the bin. We test this procedure with Monte Carlo simulations. The galaxy counts reach to AB=29 in both the NUV and FUV; 1 magnitude fainter than the HDF F30OW counts, and 7 magnitudes fainter than balloon-based counts. We compare our measured counts to various models.

Gardner, J. P.↗

The Timepix4 analog front-end design: Lessons learnt on fundamental limits to noise and time resolution in highly segmented hybrid pixel detectors

This manuscript describes the optimization of the front-end readout electronics for high granularity hybrid pixel detectors. The theoretical study aims at minimizing the noise and jitter. The model presented here is validated with both circuit post layout simulations and measurements on the Timepix4 Application Specific Integrated Circuit (ASIC). The analog front-end circuit and the procedure to optimize the dimensions of the main transistors are described with detail. The Timepix4 is the most recent ASIC designed in the framework of the Medipix4 Collaboration. It was manufactured in 65nm CMOS process, and consists of a four side buttable matrix of 448 × 512 pixels with 55µm pitch. The analog front-end has a gain of ~36mV/ke - when configured in High Gain Mode, and ~20mV/ke - when configured in Low Gain Mode. The Equivalent Noise Charge (ENC) is ~68e - rms and ~80e - rms in High Gain Mode and in Low Gain Mode respectively. In event driven mode the incoming hits can be time stamped within a ~ 200ps time bin and the chip can deal with a maximum flux of ~ 3.6MHzmm –2 s –1 . In photon counting mode, the chip can deal with up to ~ 5GHzmm –2 s –1 . The routine designed to optimize the Timepix4 front-end is then used to analyze the performance limits in terms of jitter and noise for Charge Sensitive Amplifiers in pixel detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Entropy Splitting for High Order Numerical Simulation of Vortex Sound at Low Mach Numbers

A method of minimizing numerical errors, and improving nonlinear stability and accuracy associated with low Mach number computational aeroacoustics (CAA) is proposed. The method consists of two levels. From the governing equation level, we condition the Euler equations in two steps. The first step is to split the inviscid flux derivatives into a conservative and a non-conservative portion that satisfies a so called generalized energy estimate. This involves the symmetrization of the Euler equations via a transformation of variables that are functions of the physical entropy. Owing to the large disparity of acoustic and stagnation quantities in low Mach number aeroacoustics, the second step is to reformulate the split Euler equations in perturbation form with the new unknowns as the small changes of the conservative variables with respect to their large stagnation values. From the numerical scheme level, a stable sixth-order central interior scheme with a third-order boundary schemes that satisfies the discrete analogue of the integration-by-parts procedure used in the continuous energy estimate (summation-by-parts property) is employed.

Mueller, B.↗

Use of Vertically Integrated Ice in WRF-Based Forecasts of Lightning Threat

Previously reported methods of forecasting lightning threat using fields of graupel flux from WRF simulations are extended to include the simulated field of vertically integrated ice within storms. Although the ice integral shows less temporal variability than graupel flux, it provides more areal coverage, and can thus be used to create a lightning forecast that better matches the areal coverage of the lightning threat found in observations of flash extent density. A blended lightning forecast threat can be constructed that retains much of the desirable temporal sensitivity of the graupel flux method, while also incorporating the coverage benefits of the ice integral method. The graupel flux and ice integral fields contributing to the blended forecast are calibrated against observed lightning flash origin density data, based on Lightning Mapping Array observations from a series of case studies chosen to cover a wide range of flash rate conditions. Linear curve fits that pass through the origin are found to be statistically robust for the calibration procedures.

McCaul, E. W., jr.↗

Conservative discontinuous Galerkin interpolation: Sheared boundary conditions

Local studies of accretion disks and laboratory magnetized plasmas employ analytical coordinate mappings that introduce sheared boundary conditions (BCs). Here, we present a discontinuous Galerkin (DG) algorithm to apply such BCs based on projections and quadrature-free integration. The procedure is high-order accurate, preserves moments exactly and works in multiple dimensions. Tests of increasing complexity are provided, beginning with translations of one and two dimensional fields, followed by 3D and 5D simulations with sheared (twist-shift) BCs. Results show that the algorithm is (p + 1)-order accurate in the DG representation and (p + 2) -order accurate in the cell averages, with p being the order of the polynomial basis. Quantification of the algorithm's hyperdiffusion and discussion of aliasing errors are given. This technique enables conservative local simulations of plasma turbulence with DG, not possible until now.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗