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At least 1,567 records · Page 87

Accelerating high-strain continuum-scale brittle fracture simulations with machine learning

Failure in brittle materials under dynamic loading conditions is a result of the propagation and coalescence of microcracks. Simulating this discrete crack evolution at the continuum level is computationally expensive or, in some cases, intractable, resulting in the need to make broad assumptions or neglect key physics. In this work, we have developed an approach using machine learning that overcomes the current inability to represent meso-scale physics at the macro-scale. Our approach leverages damage and stress data from a computationally expensive high-fidelity model that explicitly resolves microcrack behavior to build an inexpensive machine learning emulator. Once trained, the machine learning emulator is used to predict the evolution of crack length statistics, which then informs a continuum-scale constitutive model. This results in a significant speed-up of the workflow by four orders of magnitude. Both the machine learning emulator and the continuum-scale model are validated against the high-fidelity model and experimental data, respectively, showing excellent agreement. There are two key findings. The first is that we can reduce the dimensionality of the problem, establishing that the machine learning emulator only needs the length of the longest crack and one of the maximum stress components to capture the necessary physics. Another compelling finding is that the emulator can be trained in one experimental setting and transferred successfully to predict behavior in a different setting.

36 MATERIALS SCIENCE↗

Mass Transport Limitations and Kinetic Consequences of Corn Stover Deacetylation

Alkaline pretreatment of herbaceous feedstocks such as corn stover prior to mechanical refining and enzymatic saccharification improves downstream sugar yields by removing acetyl moieties from hemicellulose. However, the relationship between transport phenomena and deacetylation kinetics is virtually unknown for such feedstocks and this pretreatment process. Here, we report the development of an experimentally validated reaction–diffusion model for the deacetylation of corn stover. A tissue-specific transport model is used to estimate transport-independent kinetic rate constants for the reactive extraction of acetate, hemicellulose and lignin from corn stover under representative alkaline conditions (5–7 g L -1 NaOH, 10 wt% solids loadings) and at low to mild temperatures (4–70°C) selected to attenuate individual component extraction rates under differential kinetic regimes. The underlying transport model is based on microstructural characteristics of corn stover derived from statistically meaningful geometric particle and pore measurements. These physical descriptors are incorporated into distinct particle models of the three major anatomical fractions (cobs, husks and stalks) alongside an unsorted, aggregate corn stover particle, capturing average Feret lengths of 917–1239 μm and length-to-width aspect ratios of 1.8–2.9 for this highly heterogeneous feedstock. Individual reaction–diffusion models and their resulting particle model ensembles are used to validate and predict anatomically-specific and bulk feedstock performance under kinetic-controlled vs. diffusion-controlled regimes. In general, deacetylation kinetics and mass transfer processes are predicted to compete on similar time and length scales, emphasizing the significance of intraparticle transport phenomena. Critically, we predict that typical corn stover particles as small as ~2.3 mm in length are entirely diffusion-limited for acetate extraction, with experimental effectiveness factors calculated to be 0.50 for such processes. Debilitatingly low effectiveness factors of 0.021–0.054 are uncovered for cobs—implying that intraparticle mass transfer resistances may impair observable kinetic measurements of this anatomical fraction by up to 98%. These first-reported quantitative maps of reaction vs. diffusion control link fundamental insights into corn stover anatomy, biopolymer composition, practical size reduction thresholds and their kinetic consequences. These results offer a guidepost for industrial deacetylation reactor design, scale-up and feedstock selection, further establishing deacetylation as a viable biorefinery pretreatment for the conversion of lignocellulosics into value-added fuels and chemicals.

09 BIOMASS FUELS↗

Changing Characteristics of Tropical Extreme Precipitation–Cloud Regimes in Warmer Climates

In this study, we investigated the changing characteristics of climatic scale (monthly) tropical extreme precipitation in warming climates using the Energy Exascale Earth System Model (E3SM). The results are from Atmospheric Model Intercomparison Project (AMIP)-type simulations driven by (a) a control experiment with the present-day sea surface temperature (SST) and CO 2 concentration, (b) P4K, the same as in (a) but with a uniform increase of 4K in the SST globally, and (c) the same as in (a), but with an imposed SST and CO 2 concentration from the outputs of the coupled E3SM forced by a 4xCO 2 concentration. We found that as the surface warmed under P4K and 4xCO 2 , both convective and stratiform rain increased. Importantly, there was an increasing fractional contribution of stratiform rain as a function of the precipitation intensity, with the most extreme but rare events occurring preferentially over land more than the ocean, and more so under 4xCO 2 than P4K. Extreme precipitation was facilitated by increased precipitation efficiency, reflecting accelerated rates of recycling of precipitation cloud water (both liquid and ice phases) in regions with colder anvil cloud tops. Changes in the vertical profiles of clouds, condensation heating, and vertical motions indicate increasing precipitation–cloud–circulation organization from the control and P4K to 4xCO 2 . The results suggest that large-scale ocean warming, that is, P4K, was the primary cause contributing to an organization structure resembling the well-known mesoscale convective system (MCS), with increased extreme precipitation on shorter (hourly to daily) time scales. Additional 4xCO 2 atmospheric radiative heating and dynamically consistent anomalous SST further amplified the MCS organization under P4K. Analyses of the surface moist static energy distribution show that increases in the surface moisture (temperature) under P4K and 4xCO 2 was the key driver leading to enhanced convective instability over tropical ocean (land). However, a fast and large increase in the land surface temperature and lack of available local moisture resulted in a strong reduction in the land surface relative humidity, reflecting severe drying and enhanced convective inhibition (CIN). It is argued that very extreme and rare “record-breaking” precipitation events found over land under P4K, and more so under 4xCO 2 , are likely due to the delayed onset of deep convection, that is, the longer the suppression of deep convection by CIN, the more severe the extreme precipitation when it eventually occurs, due to the release of a large amount of stored surplus convective available potential energy in the lower troposphere during prolonged CIN.

54 ENVIRONMENTAL SCIENCES↗

The climate change mitigation potential of annual grasslands under future climates

Abstract Composted manure and green waste amendments have been shown to increase net carbon (C) sequestration in rangeland soils and have been proposed as a means to help lower atmospheric CO 2 concentrations. However, the effect of climate change on soil organic C (SOC) stocks and greenhouse gas emissions in rangelands is not well understood, and the viability of climate change mitigation strategies under future conditions is even less certain. We used a process‐based biogeochemical model (DayCent) at a daily time step to explore the long‐term effects of potential future climate changes on C and greenhouse gas dynamics in annual grassland ecosystems. We then used the model to explore how the same ecosystems might respond to climate change following compost amendments to soils and determined the long‐term viability of net SOC sequestration under changing climates. We simulated net primary productivity (NPP), SOC, and greenhouse gas fluxes across seven California annual grasslands with and without compost amendments. We drove the DayCent simulations with field data and with site‐specific daily climate data from two Earth system models (CanESM2 and HadGEM‐ES) and two representative concentration pathways (RCP4.5 and RCP8.5) through 2100. NPP and SOC stocks in unamended and amended ecosystems were surprisingly insensitive to projected climate changes. A one‐time amendment of compost to rangeland acted as a slow‐release organic fertilizer and increased NPP by up to 390–814 kg C ha −1 year −1 across sites. The amendment effect on NPP was not sensitive to Earth system model or emissions scenario and endured through the end of the century. Net SOC sequestration amounted to 1.96 ± 0.02 Mg C ha −1 relative to unamended soils at the maximum amendment effect. Averaged across sites and scenarios, SOC sequestration peaked 22 ± 1 years after amendment and declined but remained positive throughout the century. Though compost stimulated nitrous oxide (N 2 O) emissions, the cumulative net emissions (in CO 2 equivalents) due to compost were far less than the amount of SOC sequestered. Compost amendments resulted in a net climate benefit of 69.6 ± 0.5 Tg CO 2 e 20 ± 1 years after amendment if applied to similar ecosystems across the state, amounting to 39% of California's rangeland. These results suggest that the biogeochemical benefits of a single amendment of compost to rangelands in California are insensitive to climate change and could contribute to decadal‐scale climate change mitigation goals alongside emissions reductions.

Mayer, Allegra↗

1D Simulation of Avalanche to Streamer to Spark Transition of Plasma Discharge in Ammonia-Air Combustion

The backward problem of plasma assisted combustion emphasizes evaluating the effect of the evolving thermochemical state on the plasma discharge. This paper investigates the dependence of avalanche to streamer to spark formation dynamics and kinetics on the gas composition and temperature at different points in an ammonia-air premixed laminar flame using a self-consistent multigrid-based 1D plasma solver. Different values of ..alpha.., the coefficient for effective ionization events per unit length, have been reported for electron avalanches in air and stoichiometric NH3-air mixtures. The streamer inception has been shown to obey the Meek's criterion. An exponential reduction in streamer and spark formation time has been observed from plasma simulations at different points in the unburnt, pre-heat zone, reaction zone and the fully burnt regions of the premixed flame. While the enhancement of the reduced electric field with increasing temperature affects effective ionization, there exists a minimum breakdown field for streamer formation, which does not vary proportionally with the changing number density of the gas. The change in the mixture from reactants (NH3, O2, N2) to products of complete combustion of ammonia in air (N2, H2O) has also been shown to affect the streamer and spark formation. Finally, the major pathways during the streamer and spark phases which are responsible for producing important radicals used in combustion of NH3 are also discussed.

ADVANCED PROPULSION SYSTEMS,INORGANIC, ORGANIC, PH↗

IM3 GO WEST Parameter Search Dataset

GO WEST is an open-source power grid modeling framework for U.S. Western Interconnection, which allows users to tailor the model depending on their research study and science questions. It is developed to address weather and water dynamics, and associated vulnerabilities in this bulk power system. It covers 28 balancing authorities (BA) and 12 states in U.S. Western Interconnection. GO WEST allows users to select different number of nodes and come up with a simplified network by utilizing 10,000 nodal topology of U.S. Western Interconnection created by Texas A&M University. Users can try and select different number of nodes, mathematical formulations (linear programming vs. mixed-integer linear programming), transmission line limit scaling factors, and hurdle rate scaling factors. GO WEST offers a unit commitment and economic dispatch (UC/ED) module to simulate grid operations on an hourly scale. In this sense, users can calibrate and validate their model versions by comparing model outputs to historical datasets. Therefore, GO WEST can help researchers to strike a balance between model fidelity (i.e. accuracy) and computational complexity (i.e. runtime). This dataset includes model inputs and outputs from 600 model versions for each 2019, 2020, and 2021. The folder naming convention is as follows: Exp{Number of Nodes}_{Mathematical Formulation}_{Transmission Line Limit Scaling Factor in MW}_{Hurdle Rate Scaling Factor in %}_{Year}. Linear programming is designated with "simple" label whereas mixed-integer linear programming is designated with "coal" label. For example, "Exp100_simple_1000_50_2019" folder contains inputs and outputs from 2019 model version with 100 nodes, linear programming, +1000 MW transmission line limit scaling factor, and +50% hurdle rate scaling factor. GO WEST GitHub repository hosts all raw datasets, processing scripts, and model scripts. Please refer to the README file for a detailed description of the included files.

Economics↗

Full-Span Tiltrotor Aeroacoustic Model (TRAM) Overview and 40- by 80-Foot Wind Tunnel Test

Most helicopter data trends cannot be extrapolated to tiltrotors because blade geometry and aerodynamic behavior, as well as rotor and fuselage interactions, are significantly different for tiltrotors. A tiltrotor model has been developed to investigate the aeromechanics of tiltrotors, to develop a comprehensive database for validating tiltrotor analyses, and to provide a research platform for supporting future tiltrotor designs. The Full-Span Tiltrotor Aeroacoustic Model (FS TRAM) is a dual-rotor, powered aircraft model with extensive instrumentation for measurement of structural and aerodynamic loads. This paper will present the Full-Span TRAM test capabilities and the first set of data obtained during a 40- by 80-Foot Wind Tunnel test conducted in late 2000 at NASA Ames Research Center. The Full-Span TRAM is a quarter-scale representation of the V-22 Osprey aircraft, and a heavily instrumented NASA and U.S. Army wind tunnel test stand. Rotor structural loads are monitored and recorded for safety-of-flight and for information on blade loads and dynamics. Left and right rotor balance and fuselage balance loads are monitored for safety-of-flight and for measurement of vehicle and rotor aerodynamic performance. Static pressure taps on the left wing are used to determine rotor/wing interactional effects and rotor blade dynamic pressures measure blade airloads. All of these measurement capabilities make the FS TRAM test stand a unique and valuable asset for validation of computational codes and to aid in future tiltrotor designs. The Full-Span TRAM was tested in the NASA Ames Research Center 40- by 80-Foot Wind Tunnel from October through December 2000. Rotor and vehicle performance measurements were acquired in addition to wing pressures, rotor acoustics, and Laser Light Sheet (LLS) flow visualization data. Hover, forward flight, and airframe (rotors off) aerodynamic runs were performed. Helicopter-mode data were acquired during angle of attack and thrust sweeps for a variety of tunnel speeds. Wake geometry images were acquired using LLS photographs and suggest dual tip vortex formation at low thrust conditions. The full paper will include comparisons to isolated-rotor TRAM data acquired at the Duits-Nederlandse Windtunnel (DNW) in 1998. The FS TRAM has been established as a valuable national asset for tiltrotor research. Data reduction and analysis of the 40- by 80-Foot Wind Tunnel test results are underway. Follow-on testing of the FS TRAM is currently being planned for the NASA Ames 80- by 120-Foot Wind Tunnel in late 2001.

McCluer, Megan S.↗

Above-ground net primary productivity in regenerating seasonally dry tropical forest: Contributions of rainfall, forest age and soil

Identifying factors controlling forest productivity is critical to understanding forest-climate change feedbacks, modelling vegetation dynamics and carbon finance schemes. However, little research has focused on productivity in regenerating tropical forests which are expanding in their fraction of global area have an order of magnitude larger carbon uptake rates relative to older forest. Here We examined above-ground net primary productivity (ANPP) and its components (wood production and litterfall) over 10 years in forest plots that vary in successional age, soil characteristics and species composition using band dendrometers and litterfall traps in regenerating seasonally dry tropical forests in northwestern Costa Rica. We show that the components of ANPP are differentially driven by age and annual rainfall and that local soil variation is important. Total ANPP was explained by a combination of age, annual rainfall and soil variation. Wood production comprised 35% of ANPP on average across sites and years, and was explained by annual rainfall but not forest age. Conversely, litterfall increased with forest age and soil fertility yet was not affected by annual rainfall. In this region, edaphic variability is highly correlated with plant community composition. Thus, variation in ecosystem processes explained by soil may also be partially explained by species composition. These results suggest that future changes in annual rainfall can alter the secondary forest carbon sink, but this effect will be buffered by the litterfall flux which varies little among years. In determining the long-term strength of the secondary forest carbon sink, both rainfall and forest age will be critical variables to track. We also conclude that detailed understanding of local site variation in soils and plant community may be required to accurately predict the impact of changing rainfall on forest carbon uptake. Synthesis. We show that in seasonally dry tropical forest, annual rainfall has a positive relationship with the growth of above-ground woody tissues of trees and that droughts lead to significant reductions in above-ground productivity. These results provide evidence for climate change—carbon cycle feedbacks in the seasonal tropics and highlight the value of longitudinal data on forest regeneration.

54 ENVIRONMENTAL SCIENCES↗

Space Technology 7 : Micropropulsion and Mass Distribution

The NASA New Millennium Program Space Technology 7 (ST7) project will validate technology for precision spacecraft control. The ST7 disturbance reduction system (DRS) will contain new micropropulsion technology to be flown as part of the European Space Agency's LISA (laser interferometer space antenna) Pathfinder project. After launch into a low Earth orbit in early 2010, the LISA Pathfinder spacecraft will be maneuvered to a halo orbit about the Earth-Sun LI Lagrange point for operations. The DRS will control the position of the spacecraft relative to a reference to an accuracy of one nanometer over time scales of several thousand seconds. To perform the control the spacecraft will use a new colloid thruster technology. The thrusters will operate over the range of 5 to 30 micro-Newtons with precision of 0.1 micro-Newton. The thrust will be generated by using a high electric field to extract charged droplets of a conducting colloid fluid and accelerating them with a precisely adjustable voltage. The control position reference will be provided by the European LISA Technology Package, which will include two nearly free-floating test masses. The test mass position and attitude will be sensed and adjusted using electrostatic capacitance bridges. The DRS will control the spacecraft position with respect to one test mass while minimizing disturbances on the second test mass. The dynamic control system will cover eighteen degrees of freedom, six for each of the test masses and six for the spacecraft. In the absence of other disturbances, the test masses will slowly gravitate toward local concentrations of spacecraft mass. The test mass acceleration must be minimized to maintain the acceleration of the enclosing drag-free spacecraft within the control authority of the micropropulsion system. Therefore, test mass acceleration must be predicted by accurate measurement of mass distribution, then offset by the placement of specially shaped balance masses near each test mass. The - acceleration is characterized by calculating the gravitational effect of over ten million modeled points of a nearly 500-kg spacecraft. This paper provides an overview of the mission technology and the process of precision mass modeling of the DRS equipment.

ST-7↗

Support Effect and Surface Reconstruction in In 2 O 3 / m- ZrO 2 Catalyzed CO 2 Hydrogenation

Here, we investigate the chemical and structural dynamics at the interface of In 2 O 3 /m-ZrO 2 and their consequences on the CO 2 hydrogenation reaction (CO 2 HR) under reaction conditions. While acting to enrich CO 2 , monoclinic zirconia (m-ZrO 2 ) was also found to serve as a chemical and structural modifier of In 2 O 3 that directly governs the outcome of the CO 2 HR. These modifying effects include the following: (1) Under reaction conditions (above 623 K), partially reduced In 2 O 3 , i.e., InO x (0 < x < 1.5), was found to migrate in and out of the subsurface of m-ZrO 2 in a semireversible manner, where m-ZrO 2 accommodates and stabilizes InO x by serving as a reservoir. The decreased concentration of surface InO x under elevated temperatures coincides with significantly decreased selectivity toward methanol and a sharp increase of the reverse water–gas shift reaction. The reconstruction-induced variation of InO x concentration appears to be one of the most important factors contributing to the altered catalytic performance of CO 2 HR at different reaction conditions. (2) The strong interactions and reactions between m-ZrO 2 and In 2 O 3 result in the activation of a pool of In–O bonds at the In 2 O 3 /m-ZrO 2 interface to form oxygen vacancies. On the other hand, the high dispersity of In 2 O 3 nanostructures onto m-ZrO 2 prevents their over-reduction under catalytically relevant conditions (up to 673 K), when bare In 2 O 3 is unavoidably reduced into the metallic phase (In 0 ). The relationship between the extent of reduction of In 2 O 3 and catalytic performance (CO 2 conversion, CH 3 OH selectivity, or yield of CH 3 OH) suggests the presence of an optimum coverage of surface InO x and oxygen vacancies under reaction conditions. The conventional model that links catalytic performance solely to the coverage of oxygen vacancies appears invalid in the present case. In situ analysis also allows the observation of surface reaction intermediates and their interconversions, including the reduction of CO 3 * into formate, a precursor for the formation of methanol and CO. The combinative ex situ and in situ study sheds light on the reaction mechanism of the CO 2 HR on In 2 O 3 /m-ZrO 2 -based catalysts. Our findings on the large-scale surface reconstructions, support effect, and the reaction mechanism of In 2 O 3 /m-ZrO 2 for CO 2 HR may apply to other related metal oxide catalyzed CO 2 reduction reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stormtime ring current and radiation belt ion transport: Simulations and interpretations

We use a dynamical guiding-center model to investigate the stormtime transport of ring current and radiation-belt ions. We trace the motion of representative ions' guiding centers in response to model substorm-associated impulses in the convection electric field for a range of ion energies. Our simple magnetospheric model allows us to compare our numerical results quantitatively with analytical descriptions of particle transport, (e.g., with the quasilinear theory of radial diffusion). We find that 10-145-keV ions gain access to L approximately 3, where they can form the stormtime ring current, mainly from outside the (trapping) region in which particles execute closed drift paths. Conversely, the transport of higher-energy ions (approximately greater than 145 keV at L approximately 3) turns out to resemble radial diffusion. The quasilinear diffusion coefficient calculated for our model storm does not vary smoothly with particle energy, since our impulses occur at specific (although randomly determined) times. Despite the spectral irregularity, quasilinear theory provides a surprisingly accurate description of the transport process for approximately greater than 145-keV ions, even for the case of an individual storm. For 4 different realizations of our model storm, the geometric mean discrepancies between diffusion coefficients D(sup sim, sub LL) obtained from the simulations and the quasilinear diffusion coefficient D(sup ql, sub LL) amount to factors of 2.3, 2.3, 1.5, and 3.0, respectively. We have found that these discrepancies between D(sup sim, sub LL) and D(sup ql, sub LL) can be reduced slightly by invoking drift-resonance broadening to smooth out the sharp minima and maxima in D(sup ql, sub LL). The mean of the remaining discrepancies between D(sup sim, sub LL) and D(sup ql, sub LL) for the 4 different storms then amount to factors of 1.9, 2.1, 1.5, and 2.7, respectively. We find even better agreement when we reduce the impulse amplitudes systematically in a given model storm (e.g., reduction of all the impulse amplitudes by half reduces the discrepancy factor by at least its square root) and also when we average our results over an ensemble of 20 model storms (agreement is within a factor of 1.2 without impulse-amplitude reduction). We use our simulation results also to map phase-space densities f in accordance with Liouville's theorem. We find that the stormtime transport of approximately greater than 145-keV ions produces little change in f-bar the drift-averaged phase-space density on any drift shell of interest. However, the stormtime transport produces a major enhancement from the pre-storm phase-space density at energies approximately 30-145 keV, which are representative of the stormtime ring current.

Lyons, Larry R.↗

Global warming intensity of biofuel derived from switchgrass grown on marginal land in Michigan

Energy crops for biofuel production, especially switchgrass (Panicum virgatum), are of interest from a climate change perspective. Here, we use outputs from a crop growth model and life cycle assessment (LCA) to examine the global warming intensity (GWI; g CO 2 MJ –1 ) and greenhouse gas (GHG) mitigation potential (Mg CO 2 year –1 ) of biofuel systems based on a spatially explicit analysis of switchgrass grown on marginal land (abandoned former cropland) in Michigan, USA. We find that marginal lands in Michigan can annually produce over 0.57 hm 3 of liquid biofuel derived from nitrogen-fertilized switchgrass, mitigating 1.2–1.5 Tg of CO 2 year –1 . About 96% of these biofuels can meet the Renewable Fuel Standard (60% reduction in lifecycle GHG emissions compared with conventional gasoline; GWI ≤37.2 g CO 2 MJ –1 ). Furthermore, 73%–75% of these biofuels are carbon-negative (GWI less than zero) due to enhanced soil organic carbon (SOC) sequestration. However, simulations indicate that SOC levels would fail to increase and even decrease on the 11% of lands where SOC stocks >>200 Mg C ha –1 , leading to carbon intensities greater than gasoline. Results highlight the strong climate mitigation potential of switchgrass grown on marginal lands as well as the needs to avoid carbon rich soils such as histosols and wetlands and to ensure that productivity will be sufficient to provide net mitigation.

09 BIOMASS FUELS↗

Stabilizing the Grid and Reducing Utility Bills Through Price-Responsive Controls for Heat Pump Water Heaters

The electricity grid is facing increasing challenges in cost-effectively balancing supply and demand. These challenges are exacerbated by increased penetration of photovoltaics, which causes mid-day overproduction, and electrification of gas appliances, which increases peak-period electricity demand. Decarbonization requires shifting building loads from fossil-intensive high-cost times to renewable-intensive low-cost times while maintaining quality of service to occupants. Utilities and ISO’s are investigating new ways of incentivizing this load shifting. One promising method is the use of Highly Dynamic Prices (HDPs). HDPs feature continuously changing prices that reflect real-time grid generation and distribution costs and capacity constraints, and thus incentivize consumers to shift their loads. California’s CPUC CalFUSE proposal and Hawaii’s recent changes demonstrate that electricity tariffs are moving towards this model. For this to work however, loads must have the capability to respond to these prices. Heat pump water heaters (HPWHs) are an ideal device for this purpose because their storage tanks decouple delivery of domestic hot water from electricity consumption. The storage enables control strategies that consume midday solar power to increase the energy stored in the tank, then provide evening peak domestic hot water services using the stored energy. Berkeley Lab's CalFlexHub project is pioneering price-driven load flexibility by developing and deploying cost-minimizing controls for many flexible loads - including HPWHs - in response to HDP. Control development is based on simulations using the Flexible Heat Pump Water Heater Performance Predictor which captures the control decisions of the on-board controller in a residential, integrated HPWH . The price-responsive controls a) shift load in ways that consume additional midday solar power to help stabilize the grid and reduce overall emissions, b) ensure that occupants receive equal or better hot water delivery service, and c) minimize the operating cost for each home in the fleet. On the grid level, the resulting shift will reduce utility operating costs and emissions, and can avoid expensive system capacity expansions. The control approach is customized to each home based on typical hot water consumption patterns. HPWH controllers, whether on the device or remotely, will receive a schedule of CTA-2045-B signals or set temperature adjustments customized to the current HDP price schedule and home. Simulation results for a fleet of 148 HPWHs on a summer day in Berkeley, California show cost savings of 29% and high price electricity consumption reductions of 80%, while maintaining full quality of service.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Wind Tunnel Testing of Various Disk-Gap-Band Parachutes

Two Disk-Gap-Band model parachute designs were tested in the NASA Langley Transonic Dynamics Tunnel. The purposes of these tests were to determine the drag and static stability coefficients of these two model parachutes at various subsonic Mach numbers in support of the Mars Exploration Rover mission. The two model parachute designs were designated 1.6 Viking and MPF. These model parachute designs were chosen to investigate the tradeoff between drag and static stability. Each of the parachute designs was tested with models fabricated from MIL-C-7020 Type III or F-111 fabric. The reason for testing model parachutes fabricated with different fabrics was to evaluate the effect of fabric permeability on the drag and static stability coefficients. Several improvements over the Viking-era wind tunnel tests were implemented in the testing procedures and data analyses. Among these improvements were corrections for test fixture drag interference and blockage effects, and use of an improved test fixture for measuring static stability coefficients. The 1.6 Viking model parachutes had drag coefficients from 0.440 to 0.539, while the MPF model parachutes had drag coefficients from 0.363 to 0.428. The 1.6 Viking model parachutes had drag coefficients 18 to 22 percent higher than the MPF model parachute for equivalent fabric materials and test conditions. Model parachutes of the same design tested at the same conditions had drag coefficients approximately 11 to 15 percent higher when manufactured from F-111 fabric as compared to those fabricated from MIL-C-7020 Type III fabric. The lower fabric permeability of the F-111 fabric was the source of this difference. The MPF model parachutes had smaller absolute statically stable trim angles of attack as compared to the 1.6 Viking model parachutes for equivalent fabric materials and test conditions. This was attributed to the MPF model parachutes larger band height to nominal diameter ratio. For both designs, model parachutes fabricated from F-111 fabric had significantly greater statically stable absolute trim angles of attack at equivalent test conditions as compared to those fabricated from MILC-7020 Type III fabric. This reduction in static stability exhibited by model parachutes fabricated from F-111 fabric was attributed to the lower permeability of the F-111 fabric. The drag and static stability coefficient results were interpolated to obtain their values at Mars flight conditions using total porosity as the interpolating parameter.

Cruz, Juan R.↗

Revealing the Predominant Surface Facets of Rough Cu Electrodes under Electrochemical Conditions

Metal electrodes with rough surfaces are frequently found to convert CO or CO 2 to hydrocarbons and oxygenates with high selectivity and at high reaction rates in comparison with their smooth counterparts. The atomic-level morphology of a rough electrode is likely one key factor responsible for its comparatively high catalytic selectivity and activity. However, few methods are capable of probing the atomic-level structure of rough metal electrodes under electrocatalytic conditions. As a result, the nuances in the atomic-level surface morphology that control the catalytic characteristics of these electrodes have remained largely unexplored. Because the C≡O stretching frequency of atop-bound CO (CO atop ) depends on the coordination of the underlying metal atom, the IR spectrum of this reaction intermediate on the copper electrode could, in principle, provide structural information about the catalytic surface during electrolysis. However, other effects, such as dynamic dipole coupling, easily obscure the dependence of the frequency on the surface morphology. Further, in the limit of low CO atop coverage, where coupling effects are small, the C≡O stretching frequencies of CO atop on Cu(111) and Cu(100) facets are virtually identical. Therefore, on the basis of the C≡O stretching frequency, it is not straightforward to distinguish between these two ubiquitous surface facets, which exhibit vastly different CO reduction activities. Herein, we show that key features of the atomic-level surface morphology of rough copper electrodes can be inferred from the potential dependence of the line shape of the C≡O stretching band of CO atop . Specifically, we compared two types of rough copper thin-film electrodes that are routinely employed in the context of surface-enhanced infrared absorption spectroscopy (SEIRAS). We found that copper films that are electrochemically deposited on Si-supported Au films (CuAu–Si) are poor catalysts for the reduction of CO to ethylene in comparison to copper films (Cu–Si) that are electrolessly deposited onto Si crystals. As quantified by differential electrochemical mass spectrometry (DEMS), the onset potential for ethylene is ~200 ± 65 mV more cathodic for CuAu–Si than that for Cu–Si. To reveal the origin of the disparate catalytic properties of Cu–Si and CuAu–Si, we probed the surfaces of the electrodes with cyclic voltammetry (CV) and SEIRAS. The CV characterization suggests that the (111) surface facet predominates on CuAu–Si, whereas the (100) facet is more common on Cu–Si. SEIRAS reveals that the line shape of the C≡O stretching of CO atop is composed of two bands that are attributable to CO atop on terrace and defect sites. The different surface structures manifest themselves in the form of starkly different potential dependences of the line shape of the C≡O stretching mode of CO atop on the two types of electrodes. With a simple Boltzmann model that considers the different adsorption energies of CO atop on terrace and defect sites, and the resulting CO atop populations on terrace and defect sites, we deduced that the observed electrode-specific potential dependence of the line shape is consistent with the presence of different predominant terrace sites on the two types of films. This strategy for assessing the atomic-level morphology is not restricted to SEIRAS but could also be applied to the C≡O stretching bands recorded with surface-enhanced Raman spectroscopy (SERS), which is suitable for probing a wide range of rough copper electrodes. Therefore, with this work, we establish the potential dependence of the C≡O stretching band of CO atop as a probe of the atomic-level surface structure of rough metal electrodes under electrochemical conditions. When it is coupled with complementary techniques, this methodology provides essential structural information for further improvement in the reaction selectivity of rough metal electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unshrouded Centrifugal Turbopump Impeller

The ratio of rocket engine thrust to weight is a limiting constraint in placing more payload into orbit at a low cost. A key component of an engine's overall weight is the turbopump weight, Reducing the turbopump weight can result in significant engine weight reduction and hence, increased delivered payload. There are two main types of pumps: centrifugal and axial pumps. These types of pumps can be further sub-divided into those with shrouds and those without shrouds (unshrouded pumps). Centrifugal pumps can achieve the same pump discharge pressure as an axial pump and it requires fewer pump stages and lower pump weight than an axial pump. Also, with unshrouded centrifugal pumps (impeller), the number of stages and weight can be further reduced. However. there are several issues with regard to using an unshrouded impeller: 1) there is a pump performance penalty due to the front open face recirculation flow; 2) there is a potential pump axial thrust problem from the unbalanced front open face and the back shroud face; and, 3) since test data is very linu'ted for this configuration, there is uncertainty in the magnitude and phase of the rotordynamics forces due to the front impeller passage. The purpose of the paper is to discuss the design of an unshrouded impeller and to examine the design's hydrodynamic performance, axial thrust, and rotordynamics performance. The design methodology will also be discussed. This work will help provide some guidelines for unshrouded impeller design. In particular, the paper will discuss the design of three unshrouded impellers - one with 5 full and 5 partial blades (5+5). one with 6+6 blades and one with 8+8 blades. One of these designs will be selected for actual fabrication and flow test. Computational fluid dynamics (CFD) is used to help design and optimize the unshrouded impeller. The relative pump performance penalty is assessed by comparing the CFD results of the unshrouded impeller with the equivalent shrouded impeller for a particular design. Limited unshrouded - versus - shrouded impeller data from the J-2 pump is used to anchor the CFD. Since no detailed impeller blade force data is available, axial thrust and rotordynamic force predictions are based on the CFD model. For the axial thrust, the impeller front flow passage axial force is integrated from the CFD results and compared to the equivalent shrouded impeller axial force. For the rotordynamics forces, the fluid reaction forces are computed from unsteady flow CFD results using a moving boundary method; the rotor- shaft is moved at several whirl-to-speed frequency ratios to extract the rotordynamics coefficients.

Prueger, George↗

Aeroelastic Calculations of Quiet High- Speed Fan Performed

An advanced high-speed fan was recently designed under a cooperative effort between the NASA Glenn Research Center and Honeywell Engines & Systems. The principal design goals were to improve performance and to reduce fan noise at takeoff. Scale models of the Quiet High-Speed Fan were tested for operability, performance, and acoustics. During testing, the fan showed significantly improved noise characteristics, but a self-excited aeroelastic vibration known as flutter was encountered in the operating range. Flutter calculations were carried out for the Quiet High-Speed Fan using a three-dimensional, unsteady aerodynamic, Reynolds-averaged Navier-Stokes turbomachinery code named "TURBO." The TURBO code can accurately model the viscous flow effects that can play an important role in various aeroelastic problems such as flutter with flow separation, flutter at high loading conditions near the stall line (stall flutter), and flutter in the presence of shock and boundary-layer interaction. Initially, calculations were performed with no blade vibrations. These calculations were at a constant rotational speed and a varying mass flow rate. The mass flow rate was varied by changing the backpressure at the exit boundary of the computational domain. These initial steady calculations were followed by aeroelastic calculations in which the blades were prescribed to vibrate harmonically in a natural mode, at a natural frequency, and with a fixed interblade phase angle between adjacent blades. The AE-prep preprocessor was used to interpolate the in-vacuum mode shapes from the structural dynamics mesh onto the computational fluid dynamics mesh and to smoothly propagate the grid deformations from the blade surface to the interior points of the grid. The aeroelastic calculations provided the unsteady aerodynamic forces on the blade surface due to blade vibrations. These forces were vector multiplied with the structural dynamic mode shape to calculate the work done on the blade during one vibration period, then this result was converted to an aerodynamic damping. Flutter occurs when the aerodynamic damping becomes negative, if structural damping is ignored. The results of these aeroelastic calculations are summarized in this plot of aerodynamic damping versus mass flow rate at a constant rotational speed. As the backpressure is increased, the mass flow rate through the fan decreases and the fan operating point moves towards the stall line. The aeroelastic calculations showed that the aerodynamic damping decreases as the stall line is approached, as observed during testing. In addition, the aeroelastic calculations with the TURBO code correctly predicted the aeroelastic parameters: the most unstable vibration mode and interblade phase angle, as observed during testing. The Quiet High-Speed Fan demonstrated significant noise reductions during testing, but flutter imposed limits on its operating range. The accurate calculation of the aeroelastic characteristics using the TURBO code is a significant step toward eliminating flutter from the operating range and toward realizing the benefits of reduced fan noise. The aeroelastic calculations described here were performed under a grant by University of Toledo researchers in collaboration with Glenn's researchers.

Bakhle, Milind A.↗

An automated and portable method for selecting an optimal GPU frequency

Power consumption poses a significant challenge in current and emerging graphics processing unit (GPU) enabled high-performance computing systems. In modern GPUs, dynamic voltage frequency scaling (DVFS) appears to be a reliable control to regulate power consumption and performance. However, the DVFS design space is large - hence, brute-force approaches are infeasible to select the optimal frequency. Furthermore, no single frequency can be universally optimal for applications with varying computational intensities. Thus, the application's complexity and the availability of a wide range of frequency settings are a challenge in selecting the optimal frequency configuration for a given GPU workload. To that end, this paper proposes a systematic approach that consists of three steps. The feature characterization study identifies the fine-grain GPU utilization metrics that influence the power consumption and execution time of a given workload. To understand the performance, power, and energy consumption behaviors of a workload across GPU's DVFS design space, we derived analytical power and performance models using the identified fine-grain features. Here, it is shown that the same set of GPU utilization metrics can estimate both the power consumption and execution time while being agnostic of changes to frequency and input sizes. Applying a power control with the single objective of reducing power may cause performance degradation, leading to more energy consumption. A multi-objective approach is proposed to select the optimal GPU DVFS configuration for a workload that reduces power consumption with negligible degradation in performance. The evaluation was conducted using SPEC ACCEL benchmarks and three real applications - NAMD LAMMPS, and LSTM on NVIDIA GV100, GA100, and AMD MI210 GPUs. On average, real applications showed 29.6% energy savings with a performance loss of 5.2% on GA100 and 22.6% energy savings with a performance loss of 4.7% on GV100. Moreover, the proposed models are portable to real applications, GPU architectures, and vendors, and require metric collection at only the default frequency rather than all supported DVFS configurations. Additionally, we conducted a comparison between our models and the GPU assembly instructions (PTX)-based static models. The results revealed a significant reduction in the average error rates, with a decrease from 19.7% to 3.1% for power models and from 29.4% to 5.2% for performance models.

97 MATHEMATICS AND COMPUTING↗