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Transport and Dynamics in Toroidal Fusion Systems

The study entitled, "Transport and Dynamics in Toroidal Fusion Systems," (TDTFS) applied analytical theory and numerical computation to investigate topics of importance to confining plasma, the fourth state of matter, with magnetic fields. A central focus of the work is how non-thermal components of the ion particle distribution affect the "sawtooth" collective oscillation in the core of the tokamak magnetic configuration. Previous experimental and analytical research had shown and described how the oscillation frequency decreases and amplitude increases, leading to "monster" or "giant" sawteeth, when the non-thermal component is increased by injecting particle beams or by exciting ions with imposed electromagnetic waves. The TDTFS study applied numerical computation to self-consistently simulate the interaction between macroscopic collective plasma dynamics and the non-thermal particles. The modeling used the NIMROD code [Sovinec, Glasser, Gianakon, et al., J. Comput. Phys. 195, 355 (2004)] with the energetic component represented by simulation particles [Kim, Parker, Sovinec, and the NIMROD Team, Comput. Phys. Commun. 164, 448 (2004)]. The computations found decreasing growth rates for the instability that drives the oscillations, but they were ultimately limited from achieving experimentally relevant parameters due to computational practicalities. Nonetheless, this effort provided valuable lessons for integrated simulation of macroscopic plasma dynamics. It also motivated an investigation of the applicability of fluid-based modeling to the ion temperature gradient instability, leading to the journal publication [Schnack, Cheng, Barnes, and Parker, Phys. Plasmas 20, 062106 (2013)]. Apart from the tokamak-specific topics, the TDTFS study also addressed topics in the basic physics of magnetized plasma and in the dynamics of the reversed-field pinch (RFP) configuration. The basic physics work contributed to a study of two-fluid effects on interchange dynamics, where "two-fluid" refers to modeling independent dynamics of electron and ion species without full kinetic effects. In collaboration with scientist Ping Zhu, who received separate support, it was found that the rule-of-thumb criteria on stabilizing interchange has caveats that depend on the plasma density and temperature profiles. This work was published in [Zhu, Schnack, Ebrahimi, et al., Phys. Rev. Lett. 101, 085005 (2008)]. An investigation of general nonlinear relaxation with fluid models was partially supported by the TDTFS study and led to the publication [Khalzov, Ebrahimi, Schnack, and Mirnov, Phys. Plasmas 19, 012111 (2012)]. Work specific to the RFP included an investigation of interchange at large plasma pressure and support for applications [for example, Scheffel, Schnack, and Mirza, Nucl. Fusion 53, 113007 (2013)] of the DEBS code [Schnack, Barnes, Mikic, Harned, and Caramana, J. Comput. Phys. 70, 330 (1987)]. Finally, the principal investigator over most of the award period, Dalton Schnack, supervised a numerical study of modeling magnetic island suppression [Jenkins, Kruger, Hegna, Schnack, and Sovinec, Phys. Plasmas 17, 12502 (2010)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Baseline Climate Variables for Earth System Modelling

The Baseline Climate Variables for Earth System Modelling (ESM-BCVs) are defined as a list of 135 variables which have high utility for the evaluation and exploitation of climate simulations. The list reflects the most frequently used elements of the Coupled Model Intercomparison Project Phase 6 (CMIP6) archive. Successive phases of CMIP have supported strong results in science and substantially influence international climate policy formulation. This paper responds to both interest in exploiting CMIP data standards in a broader range of climate modelling activities and a need to achieve greater clarity about the significance and intention of variables in the CMIP Data Request. As Earth system modelling archives grow in scale and complexity, there are emerging problems associated with weak standardisation at the variable collection level. That is, there are good standards covering how specific variables should be archived, but this paper fills a gap in the standardisation of which variables should be archived. The ESM-BCV list is intended as a resource for ESM intercomparison projects (MIPs) developing requests to enable greater consistency among MIPs and as a reference for modelling centres to enhance consistency within MIPs. Provisional planning for the CMIP7 Data Request exploits the ESM-BCVs as a core element. The baseline variable list includes 98 variables which have modest or minor data volume footprints and could be generated systematically when simulations are produced and archived for exploitation by the World Climate Research Programme (WCRP) community. A further 35 variables are classed as “high volume” and are only suitable for production when the resource implications are justified.

Juckes, Martin [University of Oxford (United Kingd↗

Molten Salt Power Tower Cost Model for the System Advisor Model (SAM)

This report describes a component-based cost model developed for molten-salt power tower solar power plants. The cost model was developed by the National Renewable Energy Laboratory (NREL), using data from several prior studies, including a contracted analysis from WorleyParsons Group, which is included herein as an Appendix. The WorleyParsons' analysis also estimated material composition and mass for the plant to facilitate a life cycle analysis of the molten salt power tower technology. Details of the life cycle assessment have been published elsewhere. The cost model provides a reference plant that interfaces with NREL's System Advisor Model or SAM. The reference plant assumes a nominal 100-MWe (net) power tower running with a nitrate salt heat transfer fluid (HTF). Thermal energy storage is provided by direct storage of the HTF in a two-tank system. The design assumes dry-cooling. The model includes a spreadsheet that interfaces with SAM via the Excel Exchange option in SAM. The spreadsheet allows users to estimate the costs of different-size plants and to take into account changes in commodity prices. This report and the accompanying Excel spreadsheet can be downloaded at https://sam.nrel.gov/cost.

14 SOLAR ENERGY↗

Atmospheric Modeling Using Accelerometer Data During Mars Atmosphere and Volatile Evolution (MAVEN) Flight Operations

The Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft is a NASA orbiter designed to explore the Mars upper atmosphere, typically from 140 to 160 km altitude. In addition to the nominal science mission, MAVEN has performed several Deep Dip campaigns in which the orbit's closest point of approach, also called periapsis, was lowered to an altitude range of 115 to 135 km. MAVEN accelerometer data were used during mission operations to estimate atmospheric parameters such as density, scale height, along-track gradients, and wave structures. Density and scale height estimates were compared against those obtained from the Mars Global Reference Atmospheric Model and used to aid the MAVEN navigation team in planning maneuvers to raise and lower periapsis during Deep Dip operations. This paper describes the processes used to reconstruct atmosphere parameters from accelerometers data and presents the results of their comparison to model and navigation-derived values.

Tolson, Robert H.↗

NRC Multiphysics Analysis Capability Deployment (FY2021--Part 1)

This report details progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” The tasks completed for this report are as follows: First, Task 1d: The net radiation transfer method was implemented into MOOSE for modeling reactor cavity cooling system geometries. RCCS models for two experiments were created: (1) Natural Convection Shutdown Heat Removal Test Facility (NSTF) experiment R022, and (2) HTTR VCS mockup. For validation, computed temperature distributions were compared to measured temperatures. Next, Task 4c: An algorithm for computing the pebble bed reactor equilibrium core isotopic com-position was developed and an initial version is implemented into the reactor multi-physics code Griffin. Initial results for a simplified axisymmetric pebble bed reactor are presented. Finally, Task 7: generation of a reference plant model for molten salt cooled pebble bed reactor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Parallel-in-Time Simulation Algorithm for Power Electronics: MMC-HVdc System

The complexity in simulating power electronics like modular multilevel converters (MMCs) requires simulation algorithms to speed-up the process. Existing simulation algorithms exploit spatial parallelism to speed-up simulation. With rise in complexity of power electronics and presence of increased number of states within them, there are limits in the speed-up using spatial parallelism. In this paper, a temporal parallelism algorithm based on parallel-in-time methods is developed for simulation of power-electronics-systems. The temporal parallelism algorithm is based on computation of power-electronics-states on coarse and fine time-steps using different models. The models of power-electronics-systems used in coarse and fine time-steps are average-value and detailed models, respectively. The updates to states on coarse time-step are computed serially and are used to initialize the states on fine time-step. The updates on fine time-step are computed in parallel. A translation method is proposed in this paper to update the states on fine time-step from the simulations in the coarse time-step, and vice-versa. The proposed algorithm is applied to simulate MMCs and is validated with respect to a detailed reference MMC model. The proposed algorithm recorded a speed-up of up to 3.47× with 5 cores.

42 ENGINEERING↗

Report on UQ Assessments to support SESAME wire-wrapped bundle experiment

This work assesses the influence of assumptions made when generating a mesh of a wire-wrapped geometry. The contact region between a wire and its adjacent pin is commonly modeled by either embedding the wire to the adjacent pin or trimming the wire so that a gap separates the wire from its adjacent pin. These models are referred to as close-gap and open-gap approaches herein and are applied to two geometries. The first geometry consists of a single pin wire-wrapped subchannel. A polyhedral mesh and a hexahedral mesh are generated. The second and third geometry are a 7-pin and a 19-pinwire-wrapped bundles meshed with polyhedral elements only. Pressure drops are obtained with the STAR-CCM+computational fluid dynamic package. Sensitivity analyses of the mesh density, the mesh type, and the turbulent models are performed. Numerical results show that the best match to the experimental data and to the Cheng-Todreas correlation is obtained with the combination of a hexahedral mesh, the shear stress transport (SST) turbulent model, and the open-gap approach. In the case of the 7-pin geometry, the best results are obtained with the open-gap approach and the SST turbulent model. The 19-pin geometry yields contradictory results to the 7-pin geometry results, and thus will require further investigations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Use of Boundary Layer Transition Detection to Validate Full-Scale Flight Performance Predictions

Full-scale flight performance predictions can be made using CFD or a combination of CFD and analytical skin-friction predictions. However, no matter what method is used to obtain full-scale flight performance predictions knowledge of the boundary layer state is critical. The implementation of CFD codes solving the Navier-Stokes equations to obtain these predictions is still a time consuming, expensive process. In addition, to ultimately obtain accurate performance predictions the transition location must be fixed in the CFD model. An example, using the M2.4-7A geometry, of the change in Navier-Stokes solution with changes in transition and in turbulence model will be shown. Oil flow visualization using the M2.4-7A 4.0% scale model in the 14'x22' wind tunnel shows that fixing transition at 10% x/c in the CFD model best captures the flow physics of the wing flow field. A less costly method of obtaining full-scale performance predictions is the use of non-linear Euler codes or linear CFD codes, such as panel methods, combined with analytical skin-friction predictions. Again, knowledge of the boundary layer state is critical to the accurate determination of full-scale flight performance. Boundary layer transition detection has been performed at 0.3 and 0.9 Mach numbers over an extensive Reynolds number range using the 2.2% scale Reference H model in the NTF. A temperature sensitive paint system was used to determine the boundary layer state for these conditions. Data was obtained for three configurations: the baseline, undeflected flaps configuration; the transonic cruise configuration; and, the high-lift configuration. It was determined that at low Reynolds number conditions, in the 8 to 10 million Reynolds number range, the baseline configuration has extensive regions of laminar flow, in fact significantly more than analytical skin-friction methods predict. This configuration is fully turbulent at about 30 million Reynolds number for both 0.3 and 0.9, Mach numbers. Both the transonic cruise and the high-lift configurations were fully turbulent aft of the leading-edge flap hingeline at all Reynolds numbers.

Hamner, Marvine↗

Beyond H {sub 0} and q {sub 0}: Cosmology is no longer just two numbers

For decades, H {sub 0} and q {sub 0} were the quest of cosmology, as they promised to characterize our 'world model' without reference to a specific cosmological framework. Using Monte Carlo simulations, we show that q {sub 0} cannot be directly measured using distance indicators with both accuracy (without offset away from its true value) and precision (small error bar). While H {sub 0} can be measured with accuracy and precision, to avoid a small bias in its direct measurement (of order 5%) we demonstrate that the pair H {sub 0} and Ω {sub M} (assuming flatness and w = –1) is a better choice of two parameters, even if our world model is not precisely ΛCDM. We illustrate this with analysis of the Constitution set of supernovae and indirectly infer q {sub 0} = –0.57 ± –0.04. Finally, we show that it may be possible to directly determine q {sub 0} with both accuracy and precision using the time dependence of redshifts ('redshift drift').

79 ASTRONOMY AND ASTROPHYSICS↗

A unified thermionic and thermionic-field emission (TE–TFE) model for ideal Schottky reverse-bias leakage current

We present a unified thermionic emission (TE) and thermionic-field emission (TFE) model for the ideal reverse-bias leakage current in Schottky junctions. The unified TE–TFE analytical model advances upon previous analytical TFE models by Murphy–Good and Padovani–Stratton, which are the two most widely adopted models by the community, in two major aspects: (i) the applicability of the TFE expression therein is extended to near-zero surface electric fields by an error-function correction, allowing for the calculation of the total current by a nontrivial sum of TE (over-the-barrier current) and TFE (below-the-barrier current) contributions; therefore, an accurate description of the TE-to-TFE transition region is captured analytically for the first time; (ii) image-force lowering is considered with much-simpler correction terms. Comparisons with the reference numerical model show that the unified TE–TFE model has excellent accuracy, as well as a 10 000× reduction in computation time. The unified model is further tested against experimental data from Schottky barrier diodes based on Si, 4H-SiC, GaN, and β-Ga 2 O 3 , revealing accurate extractions of barrier heights and correct descriptions of the ideal reverse leakage characteristics. With the extended applicable range, improved accuracy, and computational efficiency, the unified TE–TFE model is highly valuable for the design and analysis of devices based on Schottky junctions, as well as for potential integration in technology computer-aided design (TCAD) tools.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Contribution of Environmental Siting and Permitting Requirements to the Cost of Energy for Wave Energy Devices

Responsible deployment of marine and hydrokinetic (MHK) devices in estuaries, coastal areas, and major rivers requires that biological resources and ecosystems be protected through siting and permitting (consenting) processes. Scoping appropriate deployment locations, collecting pre-installation (baseline) and post-installation data all add to the cost of developing MHK projects, and hence to the cost of energy. Under the direction of the U.S. Department of Energy, Pacific Northwest National Laboratory scientists have developed logic models that describe studies and processes for environmental siting and permitting. Each study and environmental permitting process has been assigned a cost derived from existing and proposed tidal, wave, and riverine MHK projects. Costs have been developed at the pilot scale and for commercial arrays for a surge wave energy converter

54 ENVIRONMENTAL SCIENCES↗

Aeroelastic code comparison using the IEA 22MW reference turbine

Reference wind turbine designs and the associated aeroelastic models are widely used in both research and industry. Reference models representing future concepts are of particular interest. Current state of the art aeroelastic tools are relied upon to design the next generation of large wind turbines. However, modelling assumptions may be invalidated by upcoming very large turbines, and different aeroelastic tools may give inconsistent results. A 22MW turbine model has been defined as part of International Energy Agency (IEA) Wind Task 55 on Reference Wind Turbines and Farms to represent future turbines to be deployed in the 2030s. In this study, an aeroelastic model of this turbine has been created in four tools; Bladed, HAWC2, OpenFAST, and QBlade. Code comparisons are presented for steady state operation, linear stability analysis, and time domain power production simulations in steady and turbulent wind. Generally, the codes show a good agreement, but with some differences present in the linear stability analysis, periodic azimuthal variation, and time domain simulations. The models are a good basis for further study with the IEA 22MW turbine, and further code comparison exercises.

17 WIND ENERGY↗

Predicting the mineral composition of dust aerosols – Part 2: Model evaluation and identification of key processes with observations

A global compilation of nearly sixty measurement studies is used to evaluate two methods of simulating the mineral composition of dust aerosols in an Earth system model. Both methods are based upon a Mean Mineralogical Table (MMT) that relates the soil mineral fractions to a global atlas of arid soil type. The Soil Mineral Fraction (SMF) method assumes that the aerosol mineral fractions match the fractions of the soil. The MMT is based upon soil measurements after wet sieving, a process that destroys aggregates of soil particles that would have been emitted from the original, undisturbed soil. The second method approximately reconstructs the emitted aggregates. This model is referred to as the Aerosol Mineral Fraction (AMF) method because the mineral fractions of the aerosols differ from those of the wet-sieved parent soil, partly due to reaggregation. The AMF method remedies some of the deficiencies of the SMF method in comparison to observations. Only the AMF method exhibits phyllosilicate mass at silt sizes, where they are abundant according to observations. In addition, the AMF quartz fraction of silt particles is in better agreement with measured values, in contrast to the overestimated SMF fraction. Measurements at distinct clay and silt particle sizes are shown to be more useful for evaluation of the models, in contrast to the sum over all particles sizes that is susceptible to compensating errors, as illustrated by the SMF experiment. Model errors suggest that allocation of the emitted silt fraction of each mineral into the corresponding transported size categories is an important remaining source of uncertainty. Evaluation of both models and the MMT is hindered by the limited number of size-resolved measurements of mineral content that sparsely sample aerosols from the major dust sources. In conclusion, the importance of climate processes dependent upon aerosol mineral composition shows the need for global and routine mineral measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predicting the Mineral Composition of Dust Aerosols: Model Evaluation and Identification of Key Processes with Observations - Part 2

A global compilation of nearly sixty measurement studies is used to evaluate two methods of simulating the mineral composition of dust aerosols in an Earth system model. Both methods are based upon a Mean Mineralogical Table (MMT) that relates the soil mineral fractions to a global atlas of arid soil type. The Soil Mineral Fraction (SMF) method assumes that the aerosol mineral fractions match the fractions of the soil. The MMT is based upon soil measurements after wet sieving, a process that destroys aggregates of soil particles that would have been emitted from the original, undisturbed soil. The second method approximately reconstructs the emitted aggregates. This model is referred to as the Aerosol Mineral Fraction (AMF) method because the mineral fractions of the aerosols differ from those of the wet-sieved parent soil, partly due to reaggregation. The AMF method remedies some of the deficiencies of the SMF method in comparison to observations. Only the AMF method exhibits phyllosilicate mass at silt sizes, where they are abundant according to observations. In addition, the AMF quartz fraction of silt particles is in better agreement with measured values, in contrast to the overestimated SMF fraction. Measurements at distinct clay and silt particle sizes are shown to be more useful for evaluation of the models, in contrast to the sum over all particles sizes that is susceptible to compensating errors, as illustrated by the SMF experiment. Model errors suggest that allocation of the emitted silt fraction of each mineral into the corresponding transported size categories is an important remaining source of uncertainty. Evaluation of both models and the MMT is hindered by the limited number of size-resolved measurements of mineral content that sparsely sample aerosols from the major dust sources. The importance of climate processes dependent upon aerosol mineral composition shows the need for global and routine mineral measurements.

aerosols↗

Why Haven't Mars Rovers Landed Where They Were Expected to?

In a recent study (Desai, 2008) of the actual landing sites for the Mars Pathfinder, Mars Exploration Rovers and the Phoenix Mars Lander, data collected indicates that these missions landed at least 13 km downrange of their targeted landing sites. A direct reason is that density measurements taken during entry, descent and landing were consistently found to be lower than those predicted by Mars atmospheric models. The basis of this study is to further investigate this problem to see if certain aspects of current Mars atmospheric models need to be reevaluated. This study compared four different atmospheric profiles at nine pairs of comparable sites around Mars. The comparable sites are similar in location and Local True Solar Time; however they are from different Mars years. One year had normal conditions, while the other year experienced a global dust storm. Three of the atmospheric profiles were obtained by the Mars Global Surveyor (MGS); these data sets include a Radio Science profile and Thermal Emission Spectrometer data in limb and nadir projections. The three MGS data sets were selected from large observational databases to allow the sites to have data observed at nearcoincident times. The last atmospheric profile is from the Mars Global Reference Atmospheric Model (Mars-GRAM), an engineering level atmospheric model widely used for mission applications. Through careful data evaluation, several conclusions were drawn. Ratios among the data show that the three observed MGS profiles were consistent with each other, although they were recorded by three different methods. Mars-GRAM data had larger differences from the observed data. Mars-GRAM particularly had issues with consistently overestimating upper atmosphere atmospheric density, as noted in Desai s study. Differences between the observed atmospheric density profiles from the Mars-GRAM atmospheric density profile could be attributed to a temperature bias in the model, especially in the upper atmosphere.

Badger, Andrew M.↗

Response of a Memristive Biomembrane and Demonstration of Potential Use in Online Learning

The pervasive von Neumann architecture uses complex processor cores and sequential computation. In contrast, the brain is massively parallel and highly efficient, owing to the ability of the neurons and synapses to store and process information simultaneously and to adapt according to incoming information. These features have motivated researchers to develop a host of brain-inspired computers, devices, and models, collectively referred to as neuromorphic computing systems. The quest for synaptic materials capable of closely mimicking biological synapses has led to an alamethicin-doped, synthetic biomembrane with volatile memristive properties which can emulate key synaptic functions to facilitate learning and computation. In contrast to its solid-state counterparts, this two-terminal, biomolecular memristor features similar structure, switching mechanisms, and ionic transport modality as biological synapses while consuming considerably lower power. To use the device as a circuit element, it is important to understand its response to different kinds of input signals. Here we develop a simplified closed form analytical solution based on the underlying state equations for pulse and sine wave inputs. A Verilog-A model based on Runge-Kutta method was developed to incorporate the device in a circuit simulator. Finally, the paper demonstrates possible applications for short- and long-term learning using its unique volatile memristive properties.

Hasan, Md Sakib↗

A new convective parameterization scheme for global models

A convective adjustment scheme is presented for parameterization of the vertical temperature and moisture structure for large-scale numerical weather models. The temperature and moisture structure is adjusted toward observed quasi-equilibrium structures to maintain a realistic vertical temperature and moisture structure in grid-scale global models during convection. Two reference thermodynamic structures are modeled analytically to account for shallow and deep convection. The thermodynamic structure obtained is permitted to change as a function of large-scale advective terms, radiation and surface fluxes. The reference profiles are applied when an energy integral provides a description of the shallow or deep convective processes occurring. Comparisons with GATE, BOMEX and ATEX data and a 10 day forecast for weather over the tropical ocean illustrate the climate and precipitation forecast accuracy improvements available with the adjustment scheme relative to standard parameterization schemes.

Miller, M. J.↗

OpenSHMEM-UCX : Evaluation of UCX for implementing OpenSHMEM Programming Model

The OpenSHMEM reference implementation was developed towards the goal of developing an open source and high-performing Open- SHMEM implementation. To achieve portability and performance across various networks, the OpenSHMEM reference implementation uses GAS- Net and UCCS for network operations. Recently, new network layers have emerged with the promise of providing high-performance, scalabil- ity, and portability for HPC applications. In this paper, we implement the OpenSHMEM reference implementation to use the UCX framework for network operations. Then, we evaluate its performance and scalabil- ity on Cray XK systems to understand UCX s suitability for developing the OpenSHMEM programming model. Further, we develop a bench- mark called SHOMS for evaluating the OpenSHMEM implementation. Our experimental results show that OpenSHMEM-UCX outperforms the vendor supplied OpenSHMEM implementation in most cases on the Cray XK system by up to 40% with respect to message rate and up to 70% for the execution of application kernels.

Baker, Matthew B↗