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At least 1,315 records · Page 73

Computational Study of the CC3 Impeller and Vaneless Diffuser Experiment

Centrifugal compressors are compatible with the low exit corrected flows found in the high pressure compressor of turboshaft engines and may play an increasing role in turbofan engines as engine overall pressure ratios increase. Centrifugal compressor stages are difficult to model accurately with RANS CFD solvers. A computational study of the CC3 centrifugal impeller in its vaneless diffuser configuration was undertaken as part of an effort to understand potential causes of RANS CFD mis-prediction in these types of geometries. Three steady, periodic cases of the impeller and diffuser were modeled using the TURBO Parallel Version 4 code: 1) a k-epsilon turbulence model computation on a 6.8 million point grid using wall functions, 2) a k-epsilon turbulence model computation on a 14 million point grid integrating to the wall, and 3) a k-omega turbulence model computation on the 14 million point grid integrating to the wall. It was found that all three cases compared favorably to data from inlet to impeller trailing edge, but the k-epsilon and k-omega computations had disparate results beyond the trailing edge and into the vaneless diffuser. A large region of reversed flow was observed in the k-epsilon computations which extended from 70% to 100% span at the exit rating plane, whereas the k-omega computation had reversed flow from 95% to 100% span. Compared to experimental data at near-peak-efficiency, the reversed flow region in the k-epsilon case resulted in an under-prediction in adiabatic efficiency of 8.3 points, whereas the k-omega case was 1.2 points lower in efficiency.

Kulkarni, Sameer↗

Computational Study of the CC3 Impeller and Vaneless Diffuser Experiment

Centrifugal compressors are compatible with the low exit corrected flows found in the high pressure compressor of turboshaft engines and may play an increasing role in turbofan engines as engine overall pressure ratios increase. Centrifugal compressor stages are difficult to model accurately with RANS CFD solvers. A computational study of the CC3 centrifugal impeller in its vaneless diffuser configuration was undertaken as part of an effort to understand potential causes of RANS CFD mis-prediction in these types of geometries. Three steady, periodic cases of the impeller and diffuser were modeled using the TURBO Parallel Version 4 code: (1) a k-ε turbulence model computation on a 6.8 million point grid using wall functions, (2) a k-ε turbulence model computation on a 14 million point grid integrating to the wall, and (3) a k-ω turbulence model computation on the 14 million point grid integrating to the wall. It was found that all three cases compared favorably to data from inlet to impeller trailing edge, but the k-ε and k-ω computations had disparate results beyond the trailing edge and into the vaneless diffuser. A large region of reversed flow was observed in the k-ε computations which extended from 70 to 100 percent span at the exit rating plane, whereas the k-ω computation had reversed flow from 95 to 100 percent span. Compared to experimental data at near-peak-efficiency, the reversed flow region in the k-ε case resulted in an underprediction in adiabatic efficiency of 8.3 points, whereas the k-ω case was 1.2 points lower in efficiency.

Kulkarni, Sameer↗

Constraining computational modeling of indirect drive double shell capsule implosions using experiments

Double shell capsule implosions are an alternative approach to achieving alpha heating on the National Ignition Facility. Current machining techniques construct the outer shell as two hemispheres that are glued together, and the deuterium and tritium (DT) liquid inside the inner shell will be injected by a fill tube. These features introduce asymmetries and jetting that may disrupt the confinement of the DT fuel if not carefully controlled. Simulations indicate that in order to achieve high yields in the laboratory, these features as well as susceptibility to the Rayleigh–Taylor instability (RTI) must be mitigated. Furthermore, due to uncertainties in computational models and the expense of using the best physics models at adequate resolution in three dimensions, our computational modeling must be constrained by experiments. We report on the results of recent hydrogrowth radiography and dual-axis keyhole experiments with double shell targets that have been used to evaluate our modeling of the outer shell joint as well as the impacts of high-energy x-ray preheat that strongly impacts RTI growth. Our simulations show good agreement with the experimental data and inform several important modeling choices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Coupled EM-PIC/Radiation Transport Simulations of HERMES Courtyard Experiments

A suite of coupled computational models for simulating the radiation, plasma, and electromagnetic (EM) environment in the High-Energy Radiation Megavolt Electron Source (HERMES) courtyard has been developed. In principle, this provides a predictive forward-simulation capability based solely on measured upstream anode and cathode current waveforms in the Magnetically Insulated Transmission Line (MITL). First, 2D R-Z ElectroMagnetic Particle-in-Cell (EM-PIC) simulations model the MITL and diode to compute a history of all electrons incident on the converter. Next, radiation transport simulations use these electrons as a source to compute the time-dependent dose rate and volumetric electron production in the courtyard. Finally, the radiation transport output is used as sources for EM-PIC simulations of the courtyard to com- pute electromagnetic responses. This suite has been applied to the November 2016 trials, shots 10268-10313. Modeling and experiment differ in significant ways. This is just the first iteration of a long process to improve the agreement, as outlined in the summary.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Collaboration with NSTX in Calculations of Radiofrequency and Neutral Beam Heating and Current Drive

The overall objective of this project was to advance the understanding of heating and current drive necessary for toroidal magnetic confinement fusion energy reactors, and to provide accurate models for these sources to aid in understanding magneto-hydrodynamic, transport and boundary physics issues. Increased understanding is provided by computer simulation using the underlying physics laws, and will lead to greater reliability and increased efficiency of a power producing fusion reactor. The proposed work entailed applications of existing CompX Fokker-Planck, ray tracing, full-wave microwave, and particle diffusion calculator codes to the National Spherical Torus Experiment at Princeton Plasma Physics Laboratory. Special features of NSTX include that large ion orbits are emphasized in its geometry and thus offer a major opportunity within fusion research for focused exploration of their ubiquitous effects, including comparison with simulation codes. The CompX CQL3D Fokker-Planck code was be further adapted to the finite-orbit-width physics. Comparison with experiment ensured that the computer codes have sufficient accuracy to accurately model the experiments. Nonthermal distributions of energetic ions are produced in experiments-- and modeled with the codes-- exhibiting the signatures of auxiliary heating, transport, and radiation processes within the plasma. Using physics-based modeling, in conjunction with experimental data, nonthermal distributions can provide keys to validation and quantification of auxiliary heating physics. Nonthermal distributions also hold particular information on radial transport processes, not obscured by the smoothing Maxwellization effects of Coulomb collisions. Generally, radial transport is not well understood but is a key to efficient fusion energy production. By comparison with Fokker-Planck modeling, the velocity dependence of radial transport coefficients becomes experimentally accessible, particularly in cases of well-modeled sources such as neutral beams, fast wave power, or the toroidal electric field. It is clear from modeling of fast-wave interactions with ions that finite-orbit-width effects play a significant role. For example, a different set of ions is computed to intersect a given cyclotron resonance depending on whether or not radial orbit drifts are taken into account. Also, radial transport, associated bootstrap current, and alpha channeling depend on radial drifts. Ion cyclotron heating above the first harmonic interacts preferentially with higher velocity ions, giving large radial drifts. The CQL3D Fokker-Planck code, maintained by the proposers, is a physics based model used extensively within the US fusion community to compare with and interpret experimental observations. At the beginning of this grant, bounce-averages of the rf quasilinear and other operators have been performed neglecting the radial drifts which give finite orbit widths to the particle orbits. The proposed work included a major upgrade to CQL3D to include finite-orbit-width effects be accounted for by performing the bounce-averages of rf and neutral beam fast ions along guiding center orbits. This CQL3D enhancement provided microwave and neutral beam contributions to neoclassical radial transport coefficients for nonthermal distributions, and substantially increased the comprehensiveness of the ion model. Additional work validated Fokker-Planck and ray tracing modeling of neutral beam and high harmonic fast wave absorption and current drive against the NSTX experiment, as had been very successful for electron cyclotron current drive in the DIII-D tokamak at General Atomics and lower hybrid waves on C-Mod at MIT. The validation work was in conjunction with staff and graduate students at Princeton Plasma Physics Laboratory. This DOE grant supported fusion energy research, a potential long-term solution to the world's energy needs. The research grant under consideration, DE-SC0006614, provided research support at the 0.3 Full-Time-Equivalent level for application of computer models to aid in understanding and projecting efficacy of heating and current drive sources in the National Spherical Torus Experiment, a tokamak variant, at the Princeton Plasma Physics Laboratory. The NSTX experiment explores the physics of very tight aspect ratio, almost spherical tokamaks, aiming at producing steady-state fusion plasmas. The current drive is an integral part of the steady-state concept, maintaining the magnetic geometry in the steady-state tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Mixing of multiple jets with a confined subsonic crossflow - Summary of NASA-supported experiments and modeling

Experimental and computational results on the mixing of single, double, and opposed rows of jets with an isothermal or variable temperature mainstream in a confined subsonic crossflow are summarized. The studies were performed to investigate flow and geometric variations typical of the complex 3D flowfield in the dilution zone of combustion chambers in gas turbine engines. The principal observations from the experiments were that the momentum-flux ratio was the most significant flow variable, and that temperature distributions were similar (independent of orifice diameter) when the orifice spacing and the square-root of the momentum-flux ratio were inversely proportional. The experiments and empirical model for the mixing of a single row of jets from round holes were extended to include several variations typical of gas turbine combustors.

Holdeman, James D.↗

Computers vs. wind tunnels for aerodynamic flow simulations

It is pointed out that in other fields of computational physics, such as ballistics, celestial mechanics, and neutronics, computations have already displaced experiments as the principal means of obtaining dynamic simulations. In the case of aerodynamic investigations, the complexity of the computational work involved in solving the Navier-Stokes equations is the reason that such investigations rely currently mainly on wind-tunnel testing. However, because of inherent limitations of the wind-tunnel approach and economic considerations, it appears that at some time in the future aerodynamic studies will chiefly rely on computational flow data provided by the computer. Taking into account projected development trends, it is estimated that computers with the required capabilities for a solution of the complete viscous, time-dependent Navier-Stokes equations will be available in the mid-1980s.

Chapman, D. R.↗

Mixing of multiple jets with a confined subsonic crossflow. Summary of NASA-supported experiments and modeling

Experimental and computational results on the mixing of single, double, and opposed rows of jets with an isothermal or variable temperature mainstream in a confined subsonic crossflow are summarized. The studies were performed to investigate flow and geometric variations typical of the complex 3-D flowfield in the dilution zone of combustion chambers in gas turbine engines. The principal observations from the experiments were that the momentum-flux ratio was the most significant flow variable, and that temperature distributions were similar (independent of orifice diameter) when the orifice spacing and the square-root of the momentum-flux ratio were inversely proportional. The experiments and empirical model for the mixing of a single row of jets from round holes were extended to include several variations typical of gas turbine combustors. Combinations of flow and geometry that gave optimum mixing were identified from the experimental results. Based on results of calculations made with a 3-D numerical model, the empirical model was further extended to model the effects of curvature and convergence. The principle conclusions from this study were that the orifice spacing and momentum-flux relationships were the same as observed previously in a straight duct, but the jet structure was significantly different for jets injected from the inner wall wall of a turn than for those injected from the outer wall. Also, curvature in the axial direction caused a drift of the jet trajectories toward the inner wall, but the mixing in a turning and converging channel did not seem to be inhibited by the convergence, independent of whether the convergence was radial or circumferential. The calculated jet penetration and mixing in an annulus were similar to those in a rectangular duct when the orifice spacing was specified at the radius dividing the annulus into equal areas.

Holdeman, James D.↗

Testing and Simulation of an Updated Cartridge Loop Vehicle

The Versatile Test Reactor (VTR) is a sodium-cooled, fast-spectrum test reactor that is being developed in the United States and will support a variety of irradiation test vehicle configurations, including cartridge loops. This work includes out-of-pile experimental results from a single-phase, natural circulation cartridge loop vehicle with geometry relevant to VTR irradiation sites, as well as comparisons between the experimental results and results predicted using the TRAC/RELAP Advanced Computational Engine (TRACE) modeling tool. The experiments were conducted in the thermosyphon test loop (TSTL) facility at Oak Ridge National Laboratory. Comparisons are also made between the current experimental data and results from natural circulation experiments previously conducted in the TSTL in a cartridge vehicle that is similar in design but has smaller flow areas. This cartridge vehicle and the experimental program were developed to add to the single-phase, natural circulation data collected in the previous iteration of the cartridge loop design, which supports future irradiation experiments and adds to a database that is useful for validating computer models. Comparisons of experimental results to TRACE model predictions is a pertinent step in validating the computational tool for supporting future irradiation experiment design and safety calculations, and comparisons to previous cartridge loop results highlight the impact of the design changes made to the test vehicle. The experiments conducted include several steady state tests and transients, including power ramp, loss of offsite power, and loss of external flow scenarios. This work shows that TRACE can accurately predict temperatures and flow conditions in the cartridge loop and the updated vehicle design achieves higher mass flow rates at the same steady state power levels.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Position Papers for the ASCR Workshop on Cybersecurity and Privacy for Scientific Computing Ecosystems

At the request of the Department of Energy's (DOE) Office of Advanced Scientific Computing Research (ASCR), this program committee has been tasked with organizing a workshop to identify basic research needs in cybersecurity and privacy to better support DOE's science and energy mission. As part of the process, the program committee is soliciting community input in the form of position papers to help identify significant use cases, facility issues, and other barriers to enabling verifiably trustworthy computational science while preserving data confidentiality as appropriate for scientific workflows of interest to DOE. The program committee will review these position papers and based on the fit of their area of expertise and interest, selected contributors will have the opportunity to participate in the workshop currently planned as a virtual event November 3-5th, 2021. The thrust areas that will be explored by this workshop are the following: (1) Algorithms for secure, scalable, privacy-enhancing technologies and frameworks, including: Federated AI/ML, Differential privacy, Randomized algorithms, Adversarial modeling & simulation, Graph algorithms, and Formal methods; (2) Platforms to support the entire scientific-computing ecosystem, including edge computing for large-scale experiments, focusing on heterogeneous systems and distributed systems, including: Heterogeneous computing systems, Distributed computing systems, and Secure data architectures; and (3) Data workflows to allow agile use of data while preserving integrity and privacy, making the important properties verifiable either at runtime or post-computation, including: Integrity and provenance and Data management infrastructure. Topics that are out-of-scope for the workshop include discussing specific proposed solutions or areas that are clearly out of DOE's fundamental and applied-sciences mission scope, e.g., cryptography, enterprise security, and general-operations technology.

97 MATHEMATICS AND COMPUTING↗

Comparing computational times for simulations when using PBPK model template and stand-alone implementations of PBPK models

Introduction We previously developed a PBPK model template that consists of a single model “superstructure” with equations and logic found in many physiologically based pharmacokinetic (PBPK) models. Using the template, one can implement PBPK models with different combinations of structures and features. Methods To identify factors that influence computational time required for PBPK model simulations, we conducted timing experiments using various implementations of PBPK models for dichloromethane and chloroform, including template and stand-alone implementations, and simulating four different exposure scenarios. For each experiment, we measured the required computational time and evaluated the impacts of including various model features (e.g., number of output variables calculated) and incorporating various design choices (e.g., different methods for estimating blood concentrations). Results We observed that model implementations that treat body weight and dependent quantities as constant (fixed) parameters can result in a 30% time savings compared with options that treat body weight and dependent quantities as time-varying. We also observed that decreasing the number of state variables by 36% in our PBPK model template led to a decrease of 20–35% in computational time. Other factors, such as the number of output variables, the method for implementing conditional statements, and the method for estimating blood concentrations, did not have large impacts on simulation time. In general, simulations with PBPK model template implementations of models required more time than simulations with stand-alone implementations, but the flexibility and (human) time savings in preparing and reviewing a model implemented using the PBPK model template may justify the increases in computational time requirements. Conclusion Our findings concerning how PBPK model design and implementation decisions impact computational speed can benefit anyone seeking to develop, improve, or apply a PBPK model, with or without the PBPK model template.

Bernstein, Amanda S.↗

Simulations of the monthly mean atmosphere for February 1976 with the GISS model

Three monthly mean simulations of the global atmosphere were computed for February 1976 with the GISS model from observed initial conditions on the first day of the month. In a replication experiment, two of these computations generated slightly different monthly mean states, apparently due to the schedule of interruptions on the computer. The root-mean-square errors of replication over the Northern Hemisphere were found to be about 2 mb, 20 m and 1 K for sea level pressure, 500 mb height and 850 mb temperature, respectively. The monthly mean 500 mb forecast results for February 1976 over the Northern Hemisphere are consistent with those from earlier GISS model experiments and again indicate some predictive skill at that level. Use of the observed monthly mean sea surface temperature (SST) field for February 1976 in place of the climatological SST field for February resulted in slightly improved simulations over the globe and Northern Hemisphere,

Spar, J.↗

The Open High Throughput Computing Content Delivery Network

LHC experiments make extensive use of web proxy caches, especially for software distribution via the CernVM File System and for conditions data via the Frontier Distributed Database Caching system. Since many jobs read the same data, cache hit rates are high and hence most of the traffic flows efficiently over Local Area Networks. However, it is not always possible to have local web caches, particularly for opportunistic cases whereexperiments have little control over site services. The Open High Throughput Computing (HTC) Content Delivery Network (CDN), openhtc.io, aims to address this by using web proxy caches from a commercial CDN provider. Cloudflare provides a simple interface for registering DNS aliases of any web server and does reverse proxy web caching on those aliases. The openhtc.io domain is hosted on Cloudflare's free tier CDN which has no bandwidth limit and makes use of data centers throughout the world, so the average performance for clients is much improved compared to reading from CERN or a Tier 1. The load on WLCG servers is also significantly reduced. WLCG Web Proxy Auto Discovery is used to select local web caches when they are available and otherwise select openhtc.io caching. This paper describes the Open HTC CDN in detail and provides initial results from its use for LHC@Home and USCMS opportunistic computing.

97 MATHEMATICS AND COMPUTING↗

Simulation of turbulent shear flows at Stanford and NASA-Ames - What can we do and what have we learned?

The capabilities and limitations of large eddy simulation (LES) and full turbulence simulation (FTS) are outlined. It is pointed out that LES, although limited at the present time by the need for periodic boundary conditions, produces large-scale flow behavior in general agreement with experiments. What is more, FTS computations produce small-scale behavior that is consistent with available experiments. The importance of the development work being done on the National Aerodynamic Simulator is emphasized. Studies at present are limited to situations in which periodic boundary conditions can be applied on boundaries of the computational domain where the flow is turbulent.

Reynolds, W. C.↗

A Joint Experimental/Computational Study of Non-Idealities in Practical Rotating Detonation Engines. Final Project Report, 10/2015 - 09/2020

The overall goal of this work is to understand non-ideal effects in practical rotating detonation engines (RDEs) that impede the realization of theoretical detonation cycle efficiencies. The main limitations in RDE operability and performance are associated with practical design considerations, where non-idealities, such as incomplete mixing, fuel leakage, secondary deflagration, instabilities and geometry-dependent effects, reduce the effectiveness of the detonation-based compression cycle. The goal of this work is to take a fundamental point of view, and use detailed experiments and simulations to understand non-ideal effects, their contribution to loss in pressure gain, and RDE operability limitations. Current research is mainly focused on design and overall operability of RDEs. Our approach is instead to look at the physics of basic processes occurring in RDEs. In particular, we consider processes associated with non-idealities and we use a combination of laser and non-laser diagnostics and large eddy simulation/direct numerical simulation computations to investigate these underlying phenomena. By advancing the fundamental science of detonation wave propagation in RDE flowfields, and subject to non-ideal conditions, will enable design to progress more rapidly. This work is a collaborative work involving experiments, simulations and external domain experts to understand the physics behind RDEs and non-idealities. Through collaboration between experimentalists and modelers, we have developed targeted experiments to investigate fundamental aspects of the operation of an RDE. Furthermore, we have developed advanced combustion models that account for non-ideal effects in the operation of an RDE and are able to capture the complexities of realistic RDE configurations. We conduct detailed physical and computational experiments to investigate the flame structure ahead and behind detonation fronts in the presence of non-uniform or incomplete mixing, leakage and secondary combustion. We use optical and laser diagnostics to identify the structure of the detonation wave. We consider different working parameters, such injection scheme, geometry, flow rates and equivalence ratios. We brought in DNS/LES capabilities to RDE design by specifically incorporating detailed kinetics and pressure-sensitive combustion physics, thus improving upon current practice based on an Euler equations description that do not take into account viscous effects, while the combustion process is introduced using an induction time based global ignition model. These current models lack the capability of capturing non-ideal mixing and fuel stratification effects — limitations that models and analysis developed in this work have been reduced. Furthermore, the significant changes in pressure within the domain due to the detonation requires combustion models with time-varying pressure effects. In this regard, using DNS with detailed chemistry, and developing LES-based combustion models for complex geometries with detonation wave has enable to understand some of the underlying phenomena controlling the operation of these devices. The main objectives developed by the project are the following ones: Objective 1. Develop canonical and operational RDE configurations, as well as imaging-based diagnostics for understanding fuel stratification, leakage, deflagration and detonation structure under non-ideal conditions in RDEs. Objective 2. Develop detailed computational tools for studying detonation wave propagation processes in RDEs. Objective 3. Develop a comprehensive picture of the fundamental physics governing non-idealities and how they impact RDE performance and operability from both experiments and simulations.

03 NATURAL GAS↗

Investigation of Farm-to-Farm Interactions and Blockage Effects from AWAKEN using Large-Scale Numerical Simulations

A large-scale numerical computation of five wind farms was performed as a part of the American Wake Experiment (AWAKEN). This high-fidelity computation used the ExaWind/AMR-Wind LES solver to simulate a 100km × 100km domain containing 541 turbines under unstable atmospheric conditions matching previous measurements. The turbines were represented by Joukowski and OpenFAST coupled actuator disk models. Results of this qualitative comparison illustrate the interactions with wind farms with large scale ABL structures in the flow, as well as the extent of downstream wake penetration in the flow and blockage effects around wind farms.

Cheung, Lawrence C.↗

Experimental Studies of the Aerothermal Characteristics of the Project Orion CEV heat Shield in High Speed Transitional and Turbulent Flows

An experimental program has been completed by CUBRC exploring laminar, transitional, and turbulent flows over a 7.0% scale model of the Project ORION CEV geometry. This program was executed primarily to answer questions concerning the increase in heat transfer on the windward, or "hot shoulder" of the CEV heat shield from laminar to turbulent flow. To answer these questions CUBRC constructed and instrumented a 14.0 inch diameter Project ORION CEV model and ran a range of Reynolds numbers based on diameter from 1.0 to over 40 million at a Mach number of 8.0. These Reynolds numbers were selected to cover laminar to turbulent heating data on the "hot shoulder". Data obtained during these runs will be used to guide design decisions as they apply to heat shield thickness and extent. Several experiments at higher enthalpies were achieved to obtain data for code validation with real gas effects and transition. CUBRC also performed computation studies of these experiments to aid in the data reduction process and study turbulence modeling.

Wadhams, T.P.↗