A Data Toolkit for Ultrahigh-resolution E3SM Simulation on Massively Parallel Processing Systems
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Wang, Dali↗
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Computational simulation of a 100 kW dual circulating fluidized bed reactor processing coal by chemical looping with oxygen uncoupling
Chemical looping with oxygen uncoupling (CLOU) is a promising carbon capture technology that utilizes two interconnected fluidized-bed reactors to separate oxygen from air using a metal oxide, and then to use that oxygen to combust fuel in a nitrogen-free environment. CLOU is particularly well suited for solid fuels such as coal since released O 2 will readily combust with solid char. This study presents simulations of the University of Utah's dual fluidized bed chemical looping process development unit (PDU) operating as a CLOU system at 100 kW th , using CPFD Software's Barracuda-VR™ CFD modeling program. A full 3D model of the PDU was used including both reactors, as well as loop seals and cyclone separators. Hydrodynamic settings and the drag model are based on previous cold-flow validation experiments. Mechanisms describing CLOU reaction kinetics for cuprous oxide oxidation in the air reactor and cupric oxide reduction in the fuel reactor were adapted from previously completed experimental work. Coal char kinetics were based on the carbon-hydrogen-nitrogen-oxygen-sulfur, CHNOS, method. Submodels for devolatilization, gasification, and homogenous gas-phase reactions used relationships from the literature. Results predict volatile burnout almost immediately, though coal combustion continues into the upper portions of the fuel reactor and cyclone. Lastly, nitrogen gas leakage into the fuel reactor is shown to be mostly carryover from the air reactor
42 ENGINEERING↗
Comparison of edge turbulence characteristics between DIII-D and C-Mod simulations with XGC1
The physical processes taking place at the separatrix and scrape-off layer regions are crucial for the operation of tokamaks as they govern the interaction of hot plasma with the vessel walls. Numerical modeling of the edge with state-of-the-art codes attempts to elucidate the complex interactions between neoclassical drifts, turbulence, poloidal and parallel flows that control the physical set-up of the SOL region. Here, we present post-processing analysis of simulation results from the gyrokinetic code XGC1, comparing and contrasting edge turbulence characteristics from a simulation of the DIII-D tokamak against a simulation of the Alcator C-Mod tokamak. We find that the equilibrium ExB flux across the separatrix has a similar poloidal pattern in both discharges which can be explained by rB-drifts and trapped ion excursions. Furthermore, collisionality is noted to play a major role in the way that it prevents local charge accumulations from having more global effects in the C-Mod case. In both cases, turbulent electron heat flux is observed to be higher than the ion one and is possibly related to the need of electrons to maintain quasineutrality through the only channel available to them for exiting the confinement. By Fourier analysis, we identify turbulent frequencies and growth rates of the dominant mode in both simulations. In the case of C-Mod, these numbers point to the presence of a drift wave. In the DIII-D case, further linear simulations with the Gene code reveal a trapped electron mode. Furthermore, using a blob detection and tracking tool, we present the amplitude and size distributions of the blobs from both simulations. The amplitude distributions are in qualitative agreement with experimental observations while the size distributions are consistent with the fact that most of the blobs are not connecting to the divertor plates and suggest that they are generated by the shearing of the turbulent modes.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Parallel processing of real-time dynamic systems simulation on OSCAR (Optimally SCheduled Advanced multiprocessoR)
Parallel processing of real-time dynamic systems simulation on a multiprocessor system named OSCAR is presented. In the simulation of dynamic systems, generally, the same calculation are repeated every time step. However, we cannot apply to Do-all or the Do-across techniques for parallel processing of the simulation since there exist data dependencies from the end of an iteration to the beginning of the next iteration and furthermore data-input and data-output are required every sampling time period. Therefore, parallelism inside the calculation required for a single time step, or a large basic block which consists of arithmetic assignment statements, must be used. In the proposed method, near fine grain tasks, each of which consists of one or more floating point operations, are generated to extract the parallelism from the calculation and assigned to processors by using optimal static scheduling at compile time in order to reduce large run time overhead caused by the use of near fine grain tasks. The practicality of the scheme is demonstrated on OSCAR (Optimally SCheduled Advanced multiprocessoR) which has been developed to extract advantageous features of static scheduling algorithms to the maximum extent.
Kasahara, Hironori↗
High performance real-time flight simulation at NASA Langley
In order to meet the stringent time-critical requirements for real-time man-in-the-loop flight simulation, computer processing operations must be deterministic and be completed in as short a time as possible. This includes simulation mathematical model computational and data input/output to the simulators. In 1986, in response to increased demands for flight simulation performance, personnel at NASA's Langley Research Center (LaRC), working with the contractor, developed extensions to a standard input/output system to provide for high bandwidth, low latency data acquisition and distribution. The Computer Automated Measurement and Control technology (IEEE standard 595) was extended to meet the performance requirements for real-time simulation. This technology extension increased the effective bandwidth by a factor of ten and increased the performance of modules necessary for simulator communications. This technology is being used by more than 80 leading technological developers in the United States, Canada, and Europe. Included among the commercial applications of this technology are nuclear process control, power grid analysis, process monitoring, real-time simulation, and radar data acquisition. Personnel at LaRC have completed the development of the use of supercomputers for simulation mathematical model computational to support real-time flight simulation. This includes the development of a real-time operating system and the development of specialized software and hardware for the CAMAC simulator network. This work, coupled with the use of an open systems software architecture, has advanced the state of the art in real time flight simulation. The data acquisition technology innovation and experience with recent developments in this technology are described.
Cleveland, Jeff I., II↗
Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics
The recent development of the Ehrenfest dynamics approach in the nuclear-electronic orbital (NEO) framework provides a promising way to simulate coupled nuclear-electronic dynamics. Our previous study showed that the NEO-Ehrenfest approach with a semi- classical traveling proton basis method yields accurate predictions of molecular vibrational frequencies. In this work, we provide a more thorough analysis of the semiclassical traveling proton basis method to elucidate its validity and convergence behavior. We also conduct NEO-Ehrenfest dynamics simulations to study an excited state intramolecular proton transfer process. These simulations reveal that nuclear quantum effects influence the predictions of proton transfer reaction rates and kinetic isotope effects due to the intrinsic delocalized nature of the quantum nuclear wave function. This work illustrates the importance of nuclear quantum effects in coupled nuclear-electronic dynamical processes and shows that the NEO-Ehrenfest approach can be a powerful tool to provide insights and predictions for these processes.
Zhao, Luning↗
Computer model to simulate testing at the National Transonic Facility
A computer model has been developed to simulate the processes involved in the operation of the National Transonic Facility (NTF), a large cryogenic wind tunnel at the Langley Research Center. The simulation was verified by comparing the simulated results with previously acquired data from three experimental wind tunnel test programs in the NTF. The comparisons suggest that the computer model simulates reasonably well the processes that determine the liquid nitrogen (LN2) consumption, electrical consumption, fan-on time, and the test time required to complete a test plan at the NTF. From these limited comparisons, it appears that the results from the simulation model are generally within about 10 percent of the actual NTF test results. The use of actual data acquisition times in the simulation produced better estimates of the LN2 usage, as expected. Additional comparisons are needed to refine the model constants. The model will typically produce optimistic results since the times and rates included in the model are typically the optimum values. Any deviation from the optimum values will lead to longer times or increased LN2 and electrical consumption for the proposed test plan. Computer code operating instructions and listings of sample input and output files have been included.
Mineck, Raymond E.↗
Lunar Metal Oxide Electrolysis with Oxygen and Photovoltaic Array Production Applications
This paper presents the results of a Marshall Space Flight Center funded effort to conduct an experimental demonstration of the processing of simulated lunar resources by the molten oxide electrolysis (MOE) process to produce oxygen and metal from lunar resources to support human exploration of space. Oxygen extracted from lunar materials can be used for life support and propellant, and silicon and metallic elements produced can be used for in situ fabrication of thin-film solar cells for power production. The Moon is rich in mineral resources, but it is almost devoid of chemical reducing agents, therefore, molten oxide electrolysis, MOE, is chosen for extraction, since the electron is the most practical reducing agent. MOE was also chosen for following reasons. First, electrolytic processing offers uncommon versatility in its insensitivity to feedstock composition. Secondly, oxide melts boast the twin key attributes of highest solubilizing capacity for regolith and lowest volatility of any candidate electrolytes. The former is critical in ensuring high productivity since cell current is limited by reactant solubility, while the latter simplifies cell design by obviating the need for a gas-tight reactor to contain evaporation losses as would be the case with a gas or liquid phase fluoride reagent operating at such high temperatures. In the experiments reported here, melts containing iron oxide were electrolyzed in a low temperature supporting oxide electrolyte (developed by D. Sadoway, MIT). The production of oxygen and reduced iron were observed. Electrolysis was also performed on the supporting electrolyte with JSC-1 Lunar Simulant. The cell current for the supporting electrolyte alone is negligible while the current for the electrolyte with JSC-1 shows significant current and a peak at about -0.6 V indicating reductive reaction in the simulant.
Curreri, P. A.↗
Microphysical Piggybacking in the Weather Research and Forecasting Model
Abstract This paper presents incorporation of the microphysical piggybacking into the Weather Research and Forecasting (WRF) model. Microphysical piggybacking is to run a single simulation applying two microphysical schemes, the first scheme driving the simulation and the second piggybacking this simulated flow. “Driving the simulation” means that the simulated microphysical processes, affect the cloud buoyancy and thus force the simulated flow. In contrast, the piggybacking variables are advected by the simulated flow and undergo microphysical transformation, but they do not affect the simulated flow (like in prescribed flow—kinematic—simulations). The two sets of variables (driver and piggybacker) include temperature, water vapor mixing ratio, and all microphysical variables. We provide details of implementing piggybacking into the WRF model, illustrate its applications, and demonstrate the benefits of this methodology in two idealized three‐dimensional cases: (a) a squall line case applying two microphysics schemes, the Thompson bulk microphysics scheme and the University of Pécs/NCAR bin (UPNB) scheme. The piggybacking simulations revealed that the microphysics‐dynamics interaction plays a more important role than the pure microphysical size sorting effect in the transition zone formation. (b) A case of daytime shallow‐to‐deep convective development over land. This case uses the UPNB scheme and contrasts convection developing in environments with either pristine or polluted cloud condensation nuclei (CCN). The piggybacking results indicated that the increase of cloud cover and decrease of supersaturation are mainly associated with the microphysical effect of increasing CCN while the change of precipitation on the ground is also influenced by microphysics‐dynamics interactions.
54 ENVIRONMENTAL SCIENCES↗
Space - A unique environment for process modeling R&D
Process modeling, the application of advanced computational techniques to simulate real processes as they occur in regular use, e.g., welding, casting and semiconductor crystal growth, is discussed. Using the low-gravity environment of space will accelerate the technical validation of the procedures and enable extremely accurate determinations of the many necessary thermophysical properties. Attention is given to NASA's centers for the commercial development of space; joint ventures of universities, industries, and goverment agencies to study the unique attributes of space that offer potential for applied R&D and eventual commercial exploitation.
Overfelt, Tony↗
Analysis of Mercury Laser Altimeter Crossovers with Improved Mercury and MESSENGER Ephemerides
Based on previous applications of laser altimetry to planetary geodesy at GSFC [Mazarico et al. (2014),(2016)] and taking advantage of new accurate Mercury and MESSENGER orbits by [Genova et al. (2019)], we analyze altimetric crossovers from the MESSENGER (Mercury Surface, Space Environment, Geochemistry and Ranging) Laser Altimeter (MLA) to solve for orbital and geodetic parameters (e.g., rotation and orientation). We present our results based on a new Python software package recently developed at GSFC that can simulate and process altimetry data in a closed-loop. Realistic simulations of MLA data, including an appropriate range noise from the instrument and realistic terrain roughness, are performed in order to fully characterize the robustness of the solution. The simulation results are then applied to our analysis of the full dataset acquired by the MLA instrument.
Bertone, Stefano↗
Design of a real-time wind turbine simulator using a custom parallel architecture
The design of a new parallel-processing digital simulator is described. The new simulator has been developed specifically for analysis of wind energy systems in real time. The new processor has been named: the Wind Energy System Time-domain simulator, version 3 (WEST-3). Like previous WEST versions, WEST-3 performs many computations in parallel. The modules in WEST-3 are pure digital processors, however. These digital processors can be programmed individually and operated in concert to achieve real-time simulation of wind turbine systems. Because of this programmability, WEST-3 is very much more flexible and general than its two predecessors. The design features of WEST-3 are described to show how the system produces high-speed solutions of nonlinear time-domain equations. WEST-3 has two very fast Computational Units (CU's) that use minicomputer technology plus special architectural features that make them many times faster than a microcomputer. These CU's are needed to perform the complex computations associated with the wind turbine rotor system in real time. The parallel architecture of the CU causes several tasks to be done in each cycle, including an IO operation and the combination of a multiply, add, and store. The WEST-3 simulator can be expanded at any time for additional computational power. This is possible because the CU's interfaced to each other and to other portions of the simulation using special serial buses. These buses can be 'patched' together in essentially any configuration (in a manner very similar to the programming methods used in analog computation) to balance the input/ output requirements. CU's can be added in any number to share a given computational load. This flexible bus feature is very different from many other parallel processors which usually have a throughput limit because of rigid bus architecture.
Hoffman, John A.↗
A Coordinated Initialization Process for the Distributed Space Exploration Simulation (DSES)
This document describes the federate initialization process that was developed at the NASA Johnson Space Center with the HIIA Transfer Vehicle Flight Controller Trainer (HTV FCT) simulations and refined in the Distributed Space Exploration Simulation (DSES). These simulations use the High Level Architecture (HLA) IEEE 1516 to provide the communication and coordination between the distributed parts of the simulation. The purpose of the paper is to describe a generic initialization sequence that can be used to create a federate that can: 1. Properly initialize all HLA objects, object instances, interactions, and time management 2. Check for the presence of all federates 3. Coordinate startup with other federates 4. Robustly initialize and share initial object instance data with other federates.
Phillips, Robert↗
Laboratory-Scale Melter Systems for Simulated and Real AP-105 Tank Waste - 19301
The Hanford Tank Waste Treatment and Immobilization Plant is being constructed to vitrify the nuclear waste stored in underground tanks on the Hanford Site. Through this conversion process, waste components become partitioned into one of two product streams: glass and off-gas, including condensate. A small-scale melter system is appropriate for analyzing the waste-to-glass process because it does not require the high volumes of input waste or resource commitment of a large-scale melter system while providing dynamic information that can be difficult to determine from batch reactions in a crucible system. A continuous laboratory-scale melter (CLSM) was sized to collect the relevant process and chemical information from obtainable volumes of Hanford tank waste and designed to operate with a continuous feeding process while periodically pouring glass product and collecting off-gas. Two CLSMs were constructed: one in a non-radioactive environment for processing waste simulants and another in a fume hood capable of handling radioactive material for processing actual Hanford tank waste. Multiple waste simulants were first tested in the non-radioactive CLSM to determine the processability and desired operating window for actual tank waste. About 12 liters of real waste from Hanford tank 241-AP-105 were received, filtered, and ion exchanged for removal of Cs-137. This quantity of waste was vitrified into 9.5 kg of glass product over the course of ∼15 hours of feeding to the CLSM. (authors)
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Evaluation of the atmosphere–land–ocean–sea ice interface processes in the Regional Arctic System Model version 1 (RASM1) using local and globally gridded observations
The Regional Arctic System Model version 1 (RASM1) has been developed to provide high-resolution simulations of the Arctic atmosphere–ocean–sea ice–land system. Here, we provide a baseline for the capability of RASM to simulate interface processes by comparing retrospective simulations from RASM1 for 1990–2014 with the Community Earth System Model version 1 (CESM1) and the spread across three recent reanalyses. Evaluations of surface and 2 m air temperature, surface radiative and turbulent fluxes, precipitation, and snow depth in the various models and reanalyses are performed using global and regional datasets and a variety of in situ datasets, including flux towers over land, ship cruises over oceans, and a field experiment over sea ice. These evaluations reveal that RASM1 simulates precipitation that is similar to CESM1, reanalyses, and satellite gauge combined precipitation datasets over all river basins within the RASM domain. Snow depth in RASM is closer to upscaled surface observations over a flatter region than in more mountainous terrain in Alaska. The sea ice–atmosphere interface is well simulated in regards to radiation fluxes, which generally fall within observational uncertainty. RASM1 monthly mean surface temperature and radiation biases are shown to be due to biases in the simulated mean diurnal cycle. At some locations, a minimal monthly mean bias is shown to be due to the compensation of roughly equal but opposite biases between daytime and nighttime, whereas this is not the case at locations where the monthly mean bias is higher in magnitude. These biases are derived from errors in the diurnal cycle of the energy balance (radiative and turbulent flux) components. Therefore, the key to advancing the simulation of SAT and the surface energy budget would be to improve the representation of the diurnal cycle of radiative and turbulent fluxes. The development of RASM2 aims to address these biases. Still, an advantage of RASM1 is that it captures the interannual and interdecadal variability in the climate of the Arctic region, which global models like CESM cannot do.
58 GEOSCIENCES↗
Taking advantage of ground data systems attributes to achieve quality results in testing software
During the software development life cycle process, basic testing starts with the development team. At the end of the development process, an acceptance test is performed for the user to ensure that the deliverable is acceptable. Ideally, the delivery is an operational product with zero defects. However, the goal of zero defects is normally not achieved but is successful to various degrees. With the emphasis on building low cost ground support systems while maintaining a quality product, a key element in the test process is simulator capability. This paper reviews the Transportable Payload Operations Control Center (TPOCC) Advanced Spacecraft Simulator (TASS) test tool that is used in the acceptance test process for unmanned satellite operations control centers. The TASS is designed to support the development, test and operational environments of the Goddard Space Flight Center (GSFC) operations control centers. The TASS uses the same basic architecture as the operations control center. This architecture is characterized by its use of distributed processing, industry standards, commercial off-the-shelf (COTS) hardware and software components, and reusable software. The TASS uses much of the same TPOCC architecture and reusable software that the operations control center developer uses. The TASS also makes use of reusable simulator software in the mission specific versions of the TASS. Very little new software needs to be developed, mainly mission specific telemetry communication and command processing software. By taking advantage of the ground data system attributes, successful software reuse for operational systems provides the opportunity to extend the reuse concept into the test area. Consistency in test approach is a major step in achieving quality results.
Sigman, Clayton B.↗
Laboratory-Scale Melter Systems for Simulated and Real AP-107 Tank Waste - 20483
The Hanford Waste Treatment and Immobilization Plant (WTP) will process and stabilize waste that is stored in underground tanks on the Hanford Site. At the WTP, the tank waste will be combined with glass-forming and modifying additives to form an aqueous and solid mixture called melter feed, which will then be vitrified in joule-heated melters. A small-scale melter system, the continuous laboratory-scale melter (CLSM), is designed to operate with a continuous feeding process while periodically pouring glass product and collecting off-gas. Two CLSMs were constructed: one in a non-radioactive environment for processing waste simulants and another in a fume hood capable of handling radioactive material for processing actual Hanford tank waste. The waste sample received for vitrification in the CLSM was from Hanford tank 241-AP-107. Approximately 12 liters of melter-feed slurry was vitrified into 7 kilograms of glass product over the course of 10 hours of charging to the CLSM. The partitioning of technetium-99 in the product streams was used to calculate the technetium-99 recovery and help determine when the vitrification process had reached a steady state. The average single-pass retention of technetium-99 in the glass product was then calculated for the processing of AP-107 waste in the CLSM system. (authors)
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Processing Full-Scale Square Kilometre Array Data on the Summit Supercomputer
This work presents a workflow for simulating and processing the full-scale low-frequency telescope data of the Square Kilometre Array (SKA) Phase 1. The SKA project will enter the construction phase soon, and once completed, it will be the world’s largest radio telescope and one of the world’s largest data generators. The authors used Summit to mimic an endto-end SKA workflow, simulating a dataset of a typical 6 hour observation and then processing that dataset with an imaging pipeline. This workflow was deployed and run on 4,560 compute nodes, and used 27,360 GPUs to generate 2.6 PB of data. This was the first time that radio astronomical data were processed at this scale. Results show that the workflow has the capability to process one of the key SKA science cases, an Epoch of Reionization observation. This analysis also helps reveal critical design factors for the next-generation radio telescopes and the required dedicated processing facilities.
Wang, Ruonan↗