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At least 37 records · Page 2

Marshall system for aerospace simulation

Software system allow facilitates quick and relatively easy simulations of physical systems on digital computers. Language is simple and flexible, and can be used by people who have little or no familiarity with computer programming.

Trauboth, H. H.↗

QES-Plume v1.0: a Lagrangian dispersion model

Low-cost simulations providing accurate predictions of transport of airborne material in urban areas, vegetative canopies, and complex terrain are demanding because of the small-scale heterogeneity of the features influencing the mean flow and turbulence fields. Common models used to predict turbulent transport of passive scalars are based on the Lagrangian stochastic dispersion model. The Quick Environmental Simulation (QES) tool is a low-computational-cost framework developed to provide high-resolution wind and concentration fields in a variety of complex atmospheric-boundary-layer environments. Part of the framework, QES-Plume, is a Lagrangian dispersion code that uses a time-implicit integration scheme to solve the generalized Langevin equations which require mean flow and turbulence fields. Here, QES-Plume is driven by QES-Winds, a 3D fast-response model that computes mass-consistent wind fields around buildings, vegetation, and hills using empirical parameterizations, and QES-Turb, a local-mixing-length turbulence model. In this paper, the particle dispersion model is presented and validated against analytical solutions to examine QES-Plume’s performance under idealized conditions. In particular, QES-Plume is evaluated against a classical Gaussian plume model for an elevated continuous point-source release in uniform flow, the Lagrangian scaling of dispersion in isotropic turbulence, and a non-Gaussian plume model for an elevated continuous point-source release in a power-law boundary-layer flow. In these cases, QES-Plume yields a maximum relative error below 6 % when compared with analytical solutions. In addition, the model is tested against wind-tunnel data for a uniform array of cubical buildings. QES-Plume exhibits good agreement with the experiment with 99 % of matched zeros and 59 % of the predicted concentrations falling within a factor of 2 of the experimental concentrations. Furthermore, results also emphasize the importance of using high-quality turbulence models for particle dispersion in complex environments. Finally, QES-Plume demonstrates excellent computational performance.

58 GEOSCIENCES↗

A Holistic Algorithmic Approach to Improving Accuracy, Robustness, and Computational Efficiency for Atmospheric Dynamics

Atmospheric weather and climate models must perform simulations very quickly to be useful. Therefore, modelers have traditionally focused on reducing computations as much as possible. However, in our new era of increasingly compute-capable hardware, data movement is now the prohibiting expense. This study examines the computational benefits of a new algorithmic approach to modeling atmospheric dynamics on scales relevant to weather and climate simulation. Rather than minimizing computations, this new approach considers the larger problem more holistically, including spatial accuracy, temporal accuracy, robustness (i.e., oscillations), on-node efficiency, and internode data transfers together at once. Numerical experiments demonstrate how computations can be strategically increased to simultaneously address each of these constraints while reducing data movement to adapt to modern accelerated hardware. The new algorithm can achieve at times up to 80% peak floating point throughput in single precision on the Nvidia Tesla V100 GPU, where the traditional approach is shown to only achieve single-digit floating point efficiency. Further, the new algorithm is twice as fast as a standard Runge--Kutta time integrator, and high-order accuracy with Weighted Essentially Non-Oscillatory (WENO) limiting came at less than 30% additional runtime cost on a GPU, thus increasing the accuracy per degree of freedom.

54 ENVIRONMENTAL SCIENCES↗

Progress on Optimizing Wind Farms and Rotor Designs Using Adjoints

Modern wind plants are increasingly tasked with multiple performance objectives. In addition to designing plants that maximize power output and minimize the levelized cost of energy (LCOE), the design and operation of wind plants is increasingly influenced by challenges regarding grid integration of variable generation renewables. This places a growing emphasis on making wind plants more controllable and predictable. WindSE is a Reynolds-averaged Navier-Stokes (RANS) model designed around analytical gradient and adjoint methods, with the ability to capture terrain-induced effects, as shown in Figure 1. The recent addition of an unsteady solver with an actuator line method (ALM) and ongoing work to enable massively parallel optimizations gives it a unique niche to explore coupled plant-level controls and design problems. This code is an open source python package built on the FEniCS framework that utilizes fast, parallel PETSc solvers to model fluid flow throughout wind-farm scale domains. Two recent studies performed using WindSE demonstrate the capability to optimize under a wide variety of flow conditions and objective functions. In the first, we present an optimization focused on modifying the layout of a wind farm with a fixed number of turbines for maximum total power output [1]. This study highlights the ability to quickly perform simulations using the steady Navier-Stokes solver combined with rotors represented as actuator disks while also stressing the importance of capturing terrain-induced effects. Gradient-based optimization using the RANS equations is viable due to the inclusion of efficiently computed adjoint derivatives. We interpret the physical results of the optimal layout and also discuss the computational cost of scaling to larger problems. In the second study, we present the capabilities of the unsteady Navier-Stokes solver, where rotor-blade profiles represented by actuator lines are optimized to enhance wake steering effects and overall power production [2]. We quantify the wind plant performance gains obtained from this type of simultaneous control co-design optimization as compared to optimizing the blade design and yaw independently. Figure 2 shows the differences between a baseline two-turbine system and an optimized system where we fine-tune the blade chord profile. Results and challenges from each study are quickly summarized and used to motivate the current development efforts within WindSE. Current and future work is focused on enabling higher-resolution studies with more degrees of freedom through parallelization of both the simulation and optimization algorithms. We present benchmarking results to show that WindSE performs well in both weak- and strong-scaling tests and further demonstrate that the optimizer obtains the same convergence rates in both shared- and distributed-memory environments. Using larger wind farms, we can study deep-array effects within an optimization context, allowing the use of objective functions that have been previously unstudied. As an example, we present ongoing work on a blockage metric which characterizes the loss of available kinetic energy due to wake effects from multiple upstream turbines.

adjoint optimization↗

Impacts of Permeability Heterogeneity and Background Flow on Supercritical CO 2 Dissolution in the Deep Subsurface

Motivated by CO 2 capture and sequestration (CCS) design considerations, we consider the coupled effects of permeability heterogeneity and background flow on the dissolution of a supercritical CO 2 lens into an underlying deep, confined aquifer. We present the results of a large-scale Monte Carlo simulation study examining the interaction of background flow rate and three parameters describing multi-Gaussian log-permeability fields: mean, variance, and correlation length. Hundreds of high-resolution simulations were performed using the PFLOTRAN finite volume software to model CO 2 dissolution in a kilometer-scale aquifer over 1,000 years. Predictive dimensionless scaling relationships relating CO 2 dissolution rate to heterogeneity statistics, Rayleigh (Ra) and Péclet (Pe) numbers were developed for both gravitationally dominated free convection to background flow-dominated forced convection regimes. An empirical criterion, Pe = Ra 3/4 , was discovered for regime transition. All simulations converged quickly to a quasi-steady, approximately linear dissolution rate. However, this rate displayed profound variability between permeability field realizations sharing the same heterogeneity statistics, even under mild permeability heterogeneity. In general, increased heterogeneity was associated with a lower mean and higher variance of dissolution rate, undesirable from a CCS design perspective. The relationship between dissolution rate and background flow was found to be complex and nonlinear. Dimensionless scaling relationships were uncovered for a number of special cases. Results call into question the validity of the Boussinesq approximation in the context of modest-to-high background flow rates and the general applicability of numerical simulations without background flow.

42 ENGINEERING↗

A riboswitch separated from its ribosome-binding site still regulates translation

Abstract Riboswitches regulate downstream gene expression by binding cellular metabolites. Regulation of translation initiation by riboswitches is posited to occur by metabolite-mediated sequestration of the Shine-Dalgarno sequence (SDS), causing bypass by the ribosome. Recently, we solved a co-crystal structure of a prequeuosine1-sensing riboswitch from Carnobacterium antarcticum that binds two metabolites in a single pocket. The structure revealed that the second nucleotide within the gene-regulatory SDS, G34, engages in a crystal contact, obscuring the molecular basis of gene regulation. Here, we report a co-crystal structure wherein C10 pairs with G34. However, molecular dynamics simulations reveal quick dissolution of the pair, which fails to reform. Functional and chemical probing assays inside live bacterial cells corroborate the dispensability of the C10–G34 pair in gene regulation, leading to the hypothesis that the compact pseudoknot fold is sufficient for translation attenuation. Remarkably, the C. antarcticum aptamer retained significant gene-regulatory activity when uncoupled from the SDS using unstructured spacers up to 10 nucleotides away from the riboswitch—akin to steric-blocking employed by sRNAs. Accordingly, our work reveals that the RNA fold regulates translation without SDS sequestration, expanding known riboswitch-mediated gene-regulatory mechanisms. The results infer that riboswitches exist wherein the SDS is not embedded inside a stable fold.

59 BASIC BIOLOGICAL SCIENCES↗

Transfer Operator Framework for Earth System Predictability and Water Cycle Extremes

For chaotic dynamical systems, nonlinear instabilities lead to exponentially divergent trajectories in the evolution of system states. Unless a simulation is initialized with an infinite-precision snapshot of the state of the true system and all known physical effects that go into its evolution are directly computed, the future state predicted by the simulation will quickly diverge from that of the true system. Moreover, the Earth system is highly structured and contains localized coherent structures that are particularly important to predict. Predicting extreme events associated with coherent structures, like hurricanes and blocking events, is crucial for understanding the effects of global warming on the water cycle.

54 ENVIRONMENTAL SCIENCES↗

Transfer Operator Framework for Earth System Predictability and Water Cycle Extremes

For chaotic dynamical systems, nonlinear instabilities lead to exponentially divergent trajectories in the evolution of system states. Unless a simulation is initialized with an infinite-precision snapshot of the state of the true system and all known physical effects that go into its evolution are directly computed, the future state predicted by the simulation will quickly diverge from that of the true system. Moreover, the Earth system is highly structured and contains localized coherent structures that are particularly important to predict. Predicting extreme events associated with coherent structures, like hurricanes and blocking events, is crucial for understanding the effects of global warming on the water cycle.

97 MATHEMATICS AND COMPUTING↗

Adaptive Machine Learning for Robust Diagnostics and Control of Time-Varying Particle Accelerator Components and Beams

Machine learning (ML) is growing in popularity for various particle accelerator applications including anomaly detection such as faulty beam position monitor or RF fault identification, for non-invasive diagnostics, and for creating surrogate models. ML methods such as neural networks (NN) are useful because they can learn input-output relationships in large complex systems based on large data sets. Once they are trained, methods such as NNs give instant predictions of complex phenomenon, which makes their use as surrogate models especially appealing for speeding up large parameter space searches which otherwise require computationally expensive simulations. However, quickly time varying systems are challenging for ML-based approaches because the actual system dynamics quickly drifts away from the description provided by any fixed data set, degrading the predictive power of any ML method, and limits their applicability for real time feedback control of quickly time-varying accelerator components and beams. In contrast to ML methods, adaptive model-independent feedback algorithms are by design robust to un-modeled changes and disturbances in dynamic systems, but are usually local in nature and susceptible to local extrema. In this work, we propose that the combination of adaptive feedback and machine learning, adaptive machine learning (AML), is a way to combine the global feature learning power of ML methods such as deep neural networks with the robustness of model-independent control. We present an overview of several ML and adaptive control methods, their strengths and limitations, and an overview of AML approaches.

97 MATHEMATICS AND COMPUTING↗

Simulation of mixing in the quick quench region of a rich burn-quick quench mix-lean burn combustor

A computer program was developed to study the mixing process in the quick quench region of a rich burn-quick quench mix-lean burn combustor. The computer program developed was based on the density-weighted, ensemble-averaged conservation equations of mass, momentum (full compressible Navier-Stokes), total energy, and species, closed by a k-epsilon turbulence model with wall functions. The combustion process was modeled by a two-step global reaction mechanism, and NO(x) formation was modeled by the Zeldovich mechanism. The formulation employed in the computer program and the essence of the numerical method of solution are described. Some results obtained for nonreacting and reacting flows with different main-flow to dilution-jet momentum flux ratios are also presented.

Shih, Tom I.-P.↗

Development and Validation of Linear Alternator Models for the Advanced Stirling Convertor

Two models of the linear alternator of the Advanced Stirling Convertor (ASC) have been developed using the Sage 1-D modeling software package. The first model relates the piston motion to electric current by means of a motor constant. The second uses electromagnetic model components to model the magnetic circuit of the alternator. The models are tuned and validated using test data and compared against each other. Results show both models can be tuned to achieve results within 7% of ASC test data under normal operating conditions. Using Sage enables the creation of a complete ASC model to be developed and simulations completed quickly compared to more complex multi-dimensional models. These models allow for better insight into overall Stirling convertor performance, aid with Stirling power system modeling, and in the future support NASA mission planning for Stirling-based power systems.

Linear Alternators↗

Development and Validation of Linear Alternator Models for the Advanced Stirling Convertor

Two models of the linear alternator of the Advanced Stirling Convertor (ASC) have been developed using the Sage 1-D modeling software package. The first model relates the piston motion to electric current by means of a motor constant. The second uses electromagnetic model components to model the magnetic circuit of the alternator. The models are tuned and validated using test data and also compared against each other. Results show both models can be tuned to achieve results within 7 of ASC test data under normal operating conditions. Using Sage enables the creation of a complete ASC model to be developed and simulations completed quickly compared to more complex multi-dimensional models. These models allow for better insight into overall Stirling convertor performance, aid with Stirling power system modeling, and in the future support NASA mission planning for Stirling-based power systems.

Linear Alternators↗

Overall Traveling-Wave-Tube Efficiency Improved By Optimized Multistage Depressed Collector Design

Depressed Collector Design The microwave traveling wave tube (TWT) is used widely for space communications and high-power airborne transmitting sources. One of the most important features in designing a TWT is overall efficiency. Yet, overall TWT efficiency is strongly dependent on the efficiency of the electron beam collector, particularly for high values of collector efficiency. For these reasons, the NASA Glenn Research Center developed an optimization algorithm based on simulated annealing to quickly design highly efficient multistage depressed collectors (MDC's). Simulated annealing is a strategy for solving highly nonlinear combinatorial optimization problems. Its major advantage over other methods is its ability to avoid becoming trapped in local minima. Simulated annealing is based on an analogy to statistical thermodynamics, specifically the physical process of annealing: heating a material to a temperature that permits many atomic rearrangements and then cooling it carefully and slowly, until it freezes into a strong, minimum-energy crystalline structure. This minimum energy crystal corresponds to the optimal solution of a mathematical optimization problem. The TWT used as a baseline for optimization was the 32-GHz, 10-W, helical TWT developed for the Cassini mission to Saturn. The method of collector analysis and design used was a 2-1/2-dimensional computational procedure that employs two types of codes, a large signal analysis code and an electron trajectory code. The large signal analysis code produces the spatial, energetic, and temporal distributions of the spent beam entering the MDC. An electron trajectory code uses the resultant data to perform the actual collector analysis. The MDC was optimized for maximum MDC efficiency and minimum final kinetic energy of all collected electrons (to reduce heat transfer). The preceding figure shows the geometric and electrical configuration of an optimized collector with an efficiency of 93.8 percent. The results show the improvement in collector efficiency from 89.7 to 93.8 percent, resulting in an increase of three overall efficiency points. In addition, the time to design a highly efficient MDC was reduced from a month to a few days. All work was done in-house at Glenn for the High Rate Data Delivery Program. Future plans include optimizing the MDC and TWT interaction circuit in tandem to further improve overall TWT efficiency.

Vaden, Karl R.↗

Desktop Modeling and Simulation: Parsimonious, yet Effective Discrete-Event Simulation Analysis

This paper evaluates how quickly students can be trained to construct useful discrete-event simulation models using Excel The typical supply chain used by many large national retailers is described, and an Excel-based simulation model is constructed of it The set of programming and simulation skills required for development of that model are then determined we conclude that six hours of training are required to teach the skills to MBA students . The simulation presented here contains all fundamental functionallty of a simulation model, and so our result holds for any discrete-event simulation model. We argue therefore that Industry workers with the same technical skill set as students having completed one year in an MBA program can be quickly trained to construct simulation models. This result gives credence to the efficacy of Desktop Modeling and Simulation whereby simulation analyses can be quickly developed, run, and analyzed with widely available software, namely Excel.

Bradley, James R.↗

Lean Blowout (LBO) Simulations in a Rich-Burn Quick-Quench Lean-Burn (RQL) Gas Turbine Combustor

The transient processes involving lean blowout (LBO) in a RQL combustor such as the single cup combustor in the National Jet Fuels Combustion Program (NJFCP) referee rig are simulated with the reduced mechanisms based on Hybrid Chemistry for two different fuels, Cat-A2 and Cat-C1. Cat-A2 fuel is Jet-A with average or nominal properties based on a survey of the Petroleum Quality Information System database. The Cat-C1, an alternative jet fuel, is a GEVO alcohol-to-jet (ATJ) fuel composed almost entirely of two highly-branched C12 and C16 iso-paraffins. Experiments conducted in the NJFCP referee rig established a stable flame at an equivalence ratio of 0.096 (the near LBO condition) as the starting condition for LBO tests performed with all Category A and C fuels. Simulations of the approach to LBO verify that a stable flame is established at the near-LBO condition for each fuel before reducing fuel flow rate (and thus equivalence ratio) in a step-wise manner. At each new equivalence ratio, the global heat release rate and total fuel evaporation time histories are monitored to verify a new stable flame condition has been established before performing the next reduction in equivalence ratio until the flame is approaching the blowout. Main conclusions are threefold: (1) For Cat-C1 fuel the equivalence ratio for LBO is around 0.087. (2) For Cat-A2 fuel the equivalence ratio for LBO is either 0.082 or 0.078 depended on the time span of equivalence ratio of 0.085. (3) The averaged difference from LES on LBO for Cat-C1 relative to Cat-A2 is 8.75% versus 7.8% from the experimental data.

LES, Lean blow out↗

GADRAS Batch Inject Tool User Guide

Gamma Detector Response and Analysis Software (GADRAS) is used by the radiation detection and emergency response community to perform modeling and spectral analysis for gamma detector systems. Built into GADRAS is the ability to define a detector, geometry, background characteristics and source composition to generate synthetic spectra for drills and exercises (injects). Consequence Management is currently in development of a sample result data simulator tool in which a deposition model is probed for source conditions at moments in time and locations in space. These values are used to generate realistic sample results for use in drills and exercises. In addition to sample results, there is a need to simulate the actual spectra that would be observed in the field by downlooking HPGe instruments given a deposition activity. This way, the FRMAC Gamma Spectroscopist can practice their process of generating quantified results from spectra on realistic data as well. Recognizing the decades of work done in GADRAS to accurately generate synthetic spectra, this team decided to build a link between the new simulator and GADRAS to generate these spectra quickly and easily. The simulator tool will generate a file that specifies the name of the spectra, its location, date/time of measurement, duration of measurement, height off the ground, and the deposition activity and age for every radionuclide in the simulation. Then, a new tool within the Inject Tab of GADRAS was developed to read in this file given a detector selection and generate In-Situ spectra for each row in the file in any file format the user chooses. This way, simulation cell staff can take these files and then upload them to the appropriate data system (RAMS or RadResponder) for use during drills and exercises. An advanced feature of this tool allows for generating any spectra given an appropriate model and mapping of source to model layer in the batch inject tool. This way, spectra from field sample counts, mobile laboratories, or even fixed laboratories can be generated in bulk given an estimate of the radioactivity concentration or total radioactivity in an import file. This expands the capabilities of this tool a great deal and will make it a more useful tool for CM and others to help estimate detector response for nearly any situation. This user guide will explain the steps needed to perform a batch inject file generation.

61 RADIATION PROTECTION AND DOSIMETRY↗

Investigation of heat transport using directly driven gold spheres

Recently, heat transport was investigated using a directly driven beryllium sphere [Farmer et al., Phys. Plasmas 27, 082701 (2020)]. Models that overly restrict heat transport were rejected. This paper extends work to directly driven gold spheres where radiation loss is more important. Here, gold coated spheres are directly driven at the OMEGA laser facility at intensities of 5×10 14 W/cm 2 . Plasma conditions, laser coupling, and x-ray flux are all measured. Additionally, comparisons to 2D radiation-hydrodynamic simulations are performed. Simulations use three common heat transport models: local transport with flux limiters of f = 0.15 and f = 0.03, and the nonlocal Schurtz–Nicolai–Busquet (SNB) model. It is shown that both the SNB model and f = 0.15 match the measured plasma conditions with the SNB model better capturing the temporal evolution of electron temperature. The f = 0.03 model predicts too low of an electron density and too hot of a temperature. The measured scattered light is roughly 6% of the incident energy, the f = 0.15 and SNB models predict 0.5% uncoupled light, and f = 0.03, 38% uncoupled light. The x-ray fluxes in the f = 0.15 and SNB simulations rise too quickly and are just outside the measurement's error, while the x-ray flux in the f = 0.03 simulation is low by a factor of two-three. For these reasons, the f = 0.03 model is rejected.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗