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At least 955 records · Page 53

Defining and applying an electricity demand flexibility benchmarking metrics framework for grid-interactive efficient commercial buildings

Building demand flexibility (DF) research has recently gained attention. To unlock building DF as a predictable grid resource, we must establish a quantitative understanding of the resource size, performance variability, and predictability based on large empirical datasets. Researchers have proposed various sets of theoretical metrics to measure this performance. Some metrics have been applied to simulation results, but most fall short of exploring the complexities in real building applications. There are practical metrics used in individual demand response field studies but they alone cannot fulfil the job of DF benchmarking across a diverse group of buildings. The electrical grid's geographically diverse and changing nature presents challenges to comparing building DF performance measured under different conditions (i.e., benchmarking DF). To address this challenge, a novel DF benchmarking framework focused on load shedding and shifting is presented; the foundation is a set of simple, proven single-event metrics with attributes describing event conditions. These enable benchmarking and visualization in different dimensions for identifying trends that represent how these attributes influence DF. To test its feasibility and scalability, the DF framework was applied to two case studies of 11 office buildings and 121 big-box retail buildings with demand response participation data. Furthermore, these examples provided a pathway for using both building level benchmarking and aggregation to extract insights into building DF about magnitude, consistency, and influential factors. Potential applications of the framework and real-world values have been identified for grid and building stakeholders.

24 POWER TRANSMISSION AND DISTRIBUTION↗

In-situ radiation response of additively manufactured modified Inconel 718 alloys

Here in this study, a novel alloy of modified Inconel 718 produced by laser powder bed fusion is studied before and after in-situ Kr irradiation up to 3 dpa at 200 and 450 °C. Before irradiation, the microstructure consists of dislocation cells having a misorientation angle less than 5° and with an average size of ~500 nm. There are also second phase particles of MC type carbides, Laves phase and oxides such as Y-O, Y-(Ti)-Al-O. While the microstructure consists of stacking fault tetrahedra, faulted and perfect loops after irradiation at 200 °C, dislocation loops are the primary defects at 450 °C. With increasing dose, the size of the defects remains similar at 200 °C while it increases at 450 °C. This has been attributed to the existence of vacancy type defects at 200 °C and the different defect transport mechanisms at different temperatures. Moreover, matrix and second phase particle compositions seem to be similar after irradiation. The sink strengths of the structures have been calculated and superior radiation resistance of this alloy has been attributed to the existence of fine cell boundaries stabilized by the second phase particles produced by additive manufacturing.

36 MATERIALS SCIENCE↗

Portable interactive visualization of large-scale simulations in geotechnical engineering using Unity3D

Development in large-scale geotechnical engineering simulation places tremendous demand for efficient visualization of such simulation data. This study presents a lightweight software tool, i.e. Geotechnical Interactive Visualization (GIV), as a solution to this challenge, which achieves efficient interactive visualization of large-scale simulations data in geotechnical engineering. Visualization data flow and algorithms specifically optimized for common geotechnical engineering applications are implemented in GIV. GIV can visualize geotechnical structure models with time-varying attributes attached to mesh with fixed topology, and also models with time-varying mesh topologies but no attributes attached, the two most common visualization tasks in geotechnical engineering. Furthermore, challenges for large-scale simulation data visualization, including parallel simulation data redundancy, massive data size, dynamic user interaction, and portability are overcome via specifically designed algorithms for simulation data preprocessing and optimized visualization modules using the powerful 3D rendering and interactive game engine Unity3D. Comparison of GIV with several widely used visualization tools for the visualization of large-scale idealized datasets and realistic geotechnical simulations highlights the visualization efficiency, smooth interactivity, and lightweight features of GIV.

42 ENGINEERING↗

Pore-scale supercritical CO 2 dissolution and mass transfer under drainage conditions

Abstract: Recently, both core- and pore-scale imbibition experiments have shown non-equilibrium dissolution of supercritical CO 2 (scCO 2 ) and a prolonged depletion of residual scCO 2 . In this study, pore-scale scCO 2 dissolution and mass transfer under drainage conditions were investigated using a two-dimensional heterogeneous micromodel and a novel fluorescent water dye with a sensitive pH range between 3.7 and 6.5. Drainage experiments were conducted at 9 MPa and 40 °C by injecting scCO 2 into the sandstone-analogue pore network initially saturated by water without dissolved CO 2 (dsCO 2 ). During the experiments, time-lapse images of dye intensity, reflecting water pH, were obtained. These images show non-uniform pH in individual pores and pore clusters, with average pH levels gradually decreasing with time. Further analysis on selected pores and pore clusters shows that (1) rate-limited mass transfer prevails with slowly decreasing pH over time when the scCO 2 -water interface area is low with respect to the volume of water-filled pores and pore clusters, (2) fast scCO 2 dissolution and phase equilibrium occurs when scCO 2 bubbles invade into water-filled pores, significantly enhancing the area-to-volume ratio, and (3) a transition from rate-limited to diffusion-limited mass transfer occurs in a single pore when a medium area-to-volume ratio is prevalent. The analysis also shows that two fundamental processes – scCO 2 dissolution at phase interfaces and diffusion of dsCO 2 at the pore scale (10-100 µm) observed after scCO 2 bubble invasion into water-filled pores without pore throat constraints – are relatively fast. The overall slow dissolution of scCO 2 in the millimeter-scale micromodel can be attributed to the small area-to-volume ratios that represent pore-throat configurations and characteristics of phase interfaces. This finding is applicable for the behavior of dissolution at pore, core, and field scales when water-filled pores and pore clusters of varying size are surrounded by scCO 2 at narrow pore throats.

54 ENVIRONMENTAL SCIENCES↗

Solar position confounds the relationship between ecosystem function and vegetation indices derived from solar and photosynthetically active radiation fluxes

Vegetation indices derived from solar and photosynthetically active radiation (PAR) sensors (i.e. radiation derived) have been under-utilized in inferring ecosystem function, despite measurement capability at hundreds of sites. This under-utilization may be attributed to reported mismatches among the seasonality of radiation- and satellite-derived vegetation indices and canopy photosynthesis; herein referred to as measurement biases. In this work, biases in radiation derived reflectance and vegetation indices were assessed using a decadal record of satellite and ground based spectroradiometer data, ecosystem phenology and CO 2 fluxes, and radiation derived vegetation indices (i.e. the Normalized Difference Vegetation Index [NDVI], the two band Enhanced Vegetation Index [EVI2]) from a high latitude tundra site (i.e. Imnaviat). At Imnaviat, we found poor correspondence between the three types of reflectance and vegetation indices, especially during the latter part of the growing season. Radiation derived vegetation indices resulted in incorrect estimates of phenological timing of up to a month and poor relationships with canopy photosynthesis (i.e. Gross Ecosystem Exchange (GEE)). These mismatches were attributed to solar position (i.e. solar zenith and azimuth angle) and a method, based on the diel visible and near-infrared albedo variation, was developed to improve the performance of the vegetation indices. The ability of radiation derived vegetation indices to infer GEE and phenological dates drastically improved once radiation derived vegetation indices were corrected for solar position associated biases at Imnaviat. Moreover, radiation derived vegetation indices became better aligned with MODerate resolution Imaging Spectroradiometer (MODIS) satellite estimates after solar position associated biases were corrected at Imnaviat and at 25 Fluxnet sites (~90 site years) across North America. Corrections developed here provide a way forward in understanding daily ecosystem function or filling large gaps in eddy covariance data at a significant number of Fluxnet sites.

54 ENVIRONMENTAL SCIENCES↗

On the hydrothermal stability of Cu/SSZ-13 SCR catalysts

Cu/SSZ-13 SCR catalysts have been extensively studied in the past decade or so. Hydrothermal stability of these catalysts has been identified as the most important criterion for application. In this perspective, we describe recent atomic-level understanding of their hydrothermal stability. In particular, electron paramagnetic resonance (EPR) is shown to rather accurately quantify isolated Cu(II) ions and CuO clusters in fresh and aged catalysts to demonstrate the remarkable hydrothermal stability for Cu2+ ions located in 6-membered ring windows, and the conversion of [Cu(OH)]+ ions in Chabazite cages to CuO clusters. The hydrothermal stability difference of the two isolated Cu(II) ions is confirmed with DFT simulations and the conversion of [Cu(OH)]+ to CuO is proposed to involve formation, migration and condensation of Cu(OH)2 intermediates. The structural destructive role of CuO clusters is attributed to mesopore formation from their migration, which more severely damages the catalysts than dealumination. Finally, perspectives are given on new strategies for low-temperature NOx removal, rational design and refinement of Cu/SSZ-13, and development of new Cu/zeolite SCR catalysts with even better performance than the state-of-the-art Cu/SSZ-13. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.

Chabazite, SSZ-13, hydrothermal aging, selective c↗

Low temperature dry reforming of methane using Ru-Ni-Mg/ceria-zirconia catalysts: Effect of Ru loading and reduction temperature

Dry reforming catalysts, especially those with activity at moderate temperatures, have been intensely investigated to enhance the conversion of biogas. Here, Ru is evaluated as a promoter for Ni-Mg based catalysts. Catalysts based on 1.4 wt%Ni-1.0 wt%Mg-Ce 0.6 Zr 0.4 O 2 with Ru (0.02–0.32 wt%) were prepared using incipient wetness. The reducibility of the catalysts and conversions increased with increasing Ru content. Increases in conversions with increasing Ru loading was attributed to the additional active sites and synergistic effect between Ru and Ni, which weakened Ni-Mg interactions. Samples showed dry reforming activity at low temperatures (450–510 °C). Reaction rates and activation energies of higher loading Ru samples (1.4 wt%Ni-1.0 wt%Mg/Ce 0.6 Zr 0.4 O 2 with 0.16 and 0.32 wt%Ru) decreased when the reduction temperature was raised from 300 to 400 °C. A 20 h TOS study showed stable catalytic activity with minimal coke deposition. Furthermore, the results suggest that Ru is an alternative to Pt in promoting low temperature dry reforming of methane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of Pt-BaO/Al 2 O 3 and Pt-CeO 2 /Al 2 O 3 for NOx storage and reduction: Impact of cycling frequency

NOx reduction under net lean and near-stoichiometric conditions was carried out on Pt/Al 2 O 3 , Pt/CeO 2 /Al 2 O 3 and Pt/BaO/Al 2 O 3 washcoated monoliths to compare performance features and identify reaction pathways. The impact of the storage components (BaO, CeO 2 ) on the NOx conversion and byproduct (NH 3 and N 2 O) yields was quantified for a range of feed temperatures, reductant types (H 2 , and C 3 H 6 ), O 2 feed concentrations, and cycle times. The NOx storage functionality is essential for NOx reduction under net lean conditions while the oxygen storage functionality promotes NOx reduction for near-stoichiometric conditions. NOx conversion by H 2 under lean conditions is dependent on the NOx storage capacity of the catalyst, with Pt/CeO 2 /Al 2 O 3 and Pt/BaO/Al 2 O 3 exhibiting the highest NOx conversion below and above 300 °C, respectively. High NOx conversion is achieved over Pt/CeO 2 /Al 2 O 3 for anaerobic rich feeds at temperatures above 400 °C. Increasing the O 2 feed concentration enhances NOx conversion over Pt/CeO 2 /Al 2 O 3 below 400 °C but inhibits NOx conversion above 400 °C. The former is attributed to promotion of NO oxidation leading to NOx storage while the latter is attributed to O 2 inhibition of NO decomposition/reduction. Shorter cycle times increase the NOx conversion with C 3 H 6 as reductant over Pt/BaO/Al 2 O 3 under lean conditions and over PCA for the near-stoichiometric feed. The findings confirm that improved NOx storage utilization is mainly responsible for NOx conversion enhancement. A ceria redox pathway has only a secondary effect on NOx conversion under excess O 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Catalyst design to direct high-octane gasoline fuel properties for improved engine efficiency

The paraffin-to-olefin (P/O) ratio in gasoline fuel is a critical metric affecting fuel properties and engine efficiency. In the conversion of dimethyl ether (DME) to high-octane hydrocarbons over BEA zeolite catalysts, the P/O ratio can be controlled through catalyst design. Here, we report bimetallic catalysts that balance the net hydrogenation and dehydrogenation activity during DME homologation. The Cu-Zn/BEA catalyst exhibited greater relative dehydrogenation activity attributed to higher ionic site density, resulting in a lower P/O ratio (6.6) versus the benchmark Cu/BEA (9.4). The Cu-Ni/BEA catalyst exhibited increased hydrogenation due to reduced Ni species, resulting in a higher P/O ratio (19). The product fuel properties were estimated with an efficiency merit function and compared against finished gasolines and a typical alkylate blendstock. Merit values for the hydrocarbon product from all three BEA catalysts exceeded those of the comparison fuels (0–5.3), with the product from Cu-Zn/BEA exhibiting the highest merit value (9.7).

Catalyst design↗

Wave energy resource characterization employing joint distributions in frequency-direction-time domain

Joint and marginal distributions in the frequency, direction, and time domain are employed to demonstrate their value for wave energy resource characterization when full spectra are available. Insights gained through analysis of these distributions support wave energy converter concept design, operation and maintenance. Spatial trends in the wave energy resource and contributing wave energy systems along the continental shelf of the West Coast of the United States are investigated using the most recent two-dimensional wave spectra measurements at four buoys over an eleven year period (2008 to 2018). Resource hot spots and dominant resolved energy resource bands in the frequency-direction-time domain are delineated. Resource attributes, including frequency and directional spreading, and seasonal variability, are characterized using joint distributions and marginal distributions of wave power spectra. North Pacific westerly swells in the winter season, augmented by Aleutian low-pressure southwesterly swells, are the principal suppliers of the dominant resource and main drivers influencing resource attributes. In conclusion, the modification of these systems southward, especially the North Pacific westerly swells, explains the observed spatial resource trends. The dominant resource wave period shifts two seconds to higher wave periods, thirty degrees in the dominant direction band to a more northward orientation, and forward by one month.

16 TIDAL AND WAVE POWER↗

Beyond Energy Efficiency: A clustering approach to embed demand flexibility into building energy benchmarking

The intermittency of carbon-free renewables and the demand changes associated with the widespread push for electrifying the transportation and building sectors provides an opportunity for buildings to go beyond energy efficiency and push towards providing demand flexibility to the electricity grid. The duality of energy efficiency and demand flexibility is necessary for success in a sustainable and reliable energy transition. Current building energy benchmarking models are limited in their ability to integrate concepts of demand flexibility and/or utilize granular smart meter data. Thus, current benchmarking methods are focused annual energy usage and fail to incorporate how the time of use of energy consumption impacts emissions in a quickly changing energy grid. Without a more comprehensive view of energy usage and associated real-time emissions, current benchmarking methods are unlikely to realize the full decarbonization potential of buildings. New emerging data streams provide an opportunity to develop a new generation of benchmarking energy models that embed dimensions of energy efficiency, grid interactivity, and demand flexibility into their analysis. In this paper, we propose a four-step method for embedding grid interactivity and demand flexibility into building benchmarking models that utilizes emerging building and time-series electricity data streams. We first engineer features to produce a mix-type dataset that encompasses many attributes of grid-interactive and efficient buildings, and then we apply K-medoids using Gower's Distance to produce peer-group clusters. We apply the method to a case study of 306 primary and secondary schools in southern California, USA. The results show that the method effectively clusters buildings by attributes of demand flexibility and energy efficiency. The clustering results reveal patterns in inefficient building operations and demand inflexibility at the building peer group level. In conclusion, the interpretation of clusters can serve as an integrated energy efficiency and demand flexibility benchmarking model and inform performance-specific policy targeting for buildings that go beyond traditional efficiency measures.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Multi-year analysis of physical interactions between solar PV arrays and underlying soil-plant complex in vegetated utility-scale systems

Concerns over the land use changes impacts of solar photovoltaic (PV) development are increasing as PV energy development expands. Co-locating utility-scale solar energy with vegetation may maintain or rehabilitate the land's ability to provide ecosystem services. Previous studies have shown that vegetation under and around the panels may improve the performance of the co-located PV and that PV may create a favorable environment for the growth of vegetation. While there have been some pilot-scale experiments, the existence and magnitude of these benefits of vegetation has not been confirmed in a utility-scale PV facility over multiple years. In this study we use power output data coupled with microclimatic measurements in temperate climates to assess these potential benefits. Here this study combines multi-year microclimatic measurements to analyze the physical interactions between PV arrays and the underlying soil-vegetation system in three utility-scale PV facilities in Minnesota, USA. No significant cooling of PV panels or increased power production was observed in PV arrays with underlying vegetation. Fine soil particle fraction was the highest in soils within PV arrays with the vegetation which was attributable to the lowest wind speeds from the compounding suppression of wind by vegetation and PV arrays. Soil moisture and soil nutrient response to re-vegetation varied between PV facilities, which could be attributed to differing soil texture. No statistically significant vegetation-driven panel cooling was observed in this climate. This finding prompts a need for site-specific studies to identify contributing factors for environmental co-benefits in co-located systems.

14 SOLAR ENERGY↗

Rare-earth element fractionation in uranium ore and its U(VI) alteration minerals

We developed a cation exchange chromatography method employing sulfonated polysterene cation resin (DOWEX AG50-X8) in order to separate rare-earth elements (REEs) from uranium-rich materials. The chemical separation scheme is designed to reduce matrix effects and consequently yield enhanced ionization efficiencies for concentration determinations of REEs without significant fractionation using solution mode-inductively coupled plasma mass spectrometry (ICP-MS) analysis. This method was then applied to determine REE abundances in four uraninite (ideally UO 2 ) samples and their associated U(VI) alteration minerals. In three of the samples analyzed, the concentration of REEs for primary uraninite are higher than those for their corresponding secondary uranium alteration phases. The results for U(VI) alteration minerals of two samples indicate enrichment of the light REEs (LREEs) over the heavy REEs (HREEs). This differential mobilization is attributed to differences in the mineralogical composition of the U(VI) alteration. There is a lack of fractionation of the LREEs in the uraninite alteration rind that is composed of U(VI) minerals containing Ca 2+ as the interlayer cation (uranophane and bequerelite); contrarily, U(VI) alteration minerals containing K + and Pb 2+ as interlayer cations (fourmarierite, dumontite) indicate fractionation (enrichment) of the LREEs. Our results have implications for nuclear forensic analyses since a comparison is reported between the REE abundances for the CUP-2 (processed uranium ore) certified reference material and previously determined values for uranium ore concentrate (UOC) produced from the same U deposit (Blind River/Elliott Lake, Canada). UOCs represent the most common form of interdicted nuclear material and consequently is material frequently targeted for forensic analysis. The comparison reveals similar chondrite normalized REE signatures but variable absolute abundances. Based on the results reported here, the latter may be attributed to the differing REE abundances between primary ore and associated alteration phases, and/or is related to varying fabrication processes adopted during production of UOC.

58 GEOSCIENCES↗

A digital twin for rapid qualification of 3D printed metallic components

The customized production of complex components by 3D printing has been hailed as a potentially transformative tool in manufacturing with important applications in health care, automotive and aerospace industries. However, after about a quarter of a century of research and development, only a handful of commercial alloys can be printed and the market value of all 3D printed products now amounts to a negligible portion of the manufacturing economy. This difficulty is attributable to a remarkable diversity in structure and properties of the printed components and susceptibility to defects. In addition, the current practice of qualifying components by prolonged trial and error with expensive printing equipment and feed stock material confine the printed products to a niche market where the high product cost and the delay in the qualification are not critical factors. In this report we explain how a digital twin or a digital replica of the printing machine will reduce the number of trial and error tests to obtain desired product attributes and reduce the time required for part qualification to make the printed components cost effective. It is shown that a comprehensive digital twin of 3D printing machine consisting of mechanistic, control and statistical models of 3D printing, machine learning and big data can reduce the volume of trial and error testing, reduce defects and shorten time between the design and production.

36 MATERIALS SCIENCE↗

Socioeconomic and atmospheric factors affecting aerosol radiative forcing: Production-based versus consumption-based perspective

There exist substantial differences in top-of-atmosphere direct radiative forcing of aerosols due to a region's economic production (RFp) and consumption (RFc), in the context of economic globalization, trade and globalizing air pollution. Yet an explicit systematic analysis of all socioeconomic and atmospheric factors determining the RF difference is lacking. Here, we evaluate five socioeconomic (population, per capita output, emission intensity) and atmospheric (chemical efficiency and radiative efficiency) factors that determine a region's RFp, RFc and their difference. We consider the RF of secondary inorganic aerosols, primary organic aerosols and black carbon by 10 regions worldwide in 2007. The population size varies by a factor of nine across the regions, and per capita output by 40 times from both production- and consumption-based perspectives. The cross-regional spread reaches a factor of 181 (species dependent) for production-based emission intensity and a factor of 96 for consumption-based intensity. From one region to another, production-based chemical efficiency changes within a factor of 5 and consumption-based efficiency within a factor of 3.5. Radiative efficiency varies slightly across the regions (within 2) from both production- and consumption-based perspectives. Although socioeconomic factors are often a greater driver for the difference between a source region's RFp and RFc, the atmospheric factors are also important for many source regions and species. Our results contribute to regional attribution of climate change and establishment of effective international collaborative mitigation strategies.

aerosol radiative forcing↗

A level-of-details framework for representing occupant behavior in agent-based models

We report agent-based modeling is an advanced computational technique capable of representing complex and dynamic processes of human behavior in building performance simulation. Though the agent-based approach supports diverse applications concerning human behavior modeling within the built environment, there is no consensus on the optimal amount of information or level of granularity needed for occupant information representation. This paper attempts to formalize the level of details (LoD) needed for occupant behavior representation in agent-based environments. A novel framework, grounded on the concept of LoD, is proposed to select the required details in representing occupants in agent-based models. Ten attributes related to occupants' presence, movement, behavioral processes, and repertoire are considered to define the LoD. The framework identifies use case parameters as the guiding principle and allows a hybrid approach for selecting varying degrees of occupant attributes to serve the purpose of simulation. A discussion on the pertinence of different occupant behavior LoDs in relation to the desired objective and simulation context is also presented. The study intends to support the occupant behavior research by advancing agent-based occupant modeling in building performance simulation.

42 ENGINEERING↗

Green fluorescence protein-based content-mixing assay of SNARE-driven membrane fusion

Soluble N-ethylmaleimide-sensitive factor attachment protein receptor (SNARE) proteins mediate intracellular membrane fusion by forming a ternary SNARE complex. A minimalist approach utilizing proteoliposomes with reconstituted SNARE proteins yielded a wealth of information pinpointing the molecular mechanism of SNARE-mediated fusion and its regulation by accessory proteins. Two important attributes of a membrane fusion are lipid-mixing and the formation of an aqueous passage between apposing membranes. These two attributes are typically observed by using various fluorescent dyes. Currently available in vitro assay systems for observing fusion pore opening have several weaknesses such as cargo-bleeding, incomplete removal of unencapsulated dyes, and inadequate information regarding the size of the fusion pore, limiting measurements of the final stage of membrane fusion. In the present study, we used a biotinylated green fluorescence protein and streptavidin conjugated with Dylight 594 (DyStrp) as a Föster resonance energy transfer (FRET) donor and acceptor, respectively. This FRET pair encapsulated in each v-vesicle containing synaptobrevin and t-vesicle containing a binary acceptor complex of syntaxin 1a and synaptosomal-associated protein 25 revealed the opening of a large fusion pore of more than 5 nm, without the unwanted signals from unencapsulated dyes or leakage. This system enabled determination of the stoichiometry of the merging vesicles because the FRET efficiency of the FRET pair depended on the molar ratio between dyes. Here, we report a robust and informative assay for SNARE-mediated fusion pore opening. - Highlights: • SNARE proteins drive membrane fusion and open a pore for cargo release. • Biotinylated GFP and DyStrp was used as the reporter pair of fusion pore opening. • Procedure for efficient SNARE reconstitution and reporter encapsulation was established. • The FRET pair reported opening of a large fusion pore bigger than 5 nm. • The assay was robust and provided information of stoichiometry of vesicle fusion.

60 APPLIED LIFE SCIENCES↗