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At least 73 records · Page 4

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DOE OSTI2026

Intramolecular redox-site interplay effect on organic electrode for fast-charging and wide-temperature-range sodium-ion batteries

Organic electrode materials (OEMs) hold great promise for sodium-ion batteries (SIBs) due to their exceptional structural tunability and sustainability. However, the development of OEMs with fast redox kinetics and robust structural integrity remains challenging, especially over a wide temperature range. Herein, we propose an effective strategy to address both sluggish redox kinetics and insufficient structural stability in OEMs by constructing an intramolecular redox-site interplay effect. This effect is demonstrated by two hexaazatrinaphthylene-carboxylate isomers, namely HATN-m-COONa and HATN-o-COONa. Systematic experimental and computational results jointly reveal the intramolecular redox-site interplay effect in HATN-o-COONa decreases the rigid π-π stacking interactions and minimizes the skeleton structural distortion, offering faster redox kinetics and enhanced structural integrity in HATN-o-COONa compared to HATN-m-COONa (without intramolecular redox-site interplay effect). Consequently, HATN-o-COONa exhibits superior rate performance (258 mA h g−1 at 10 A g−1) and enhanced cycle stability (93% after 1000 cycles at 5 A g−1) compared to HATN-m-COONa. More importantly, HATN-o-COONa demonstrates exceptional wide-temperature adaptability, ranging from -40 °C (315 mA h g−1 at 0.1 A g−1) to 60 oC (343 mAh g-1 at 5 A g-1). This work establishes a promising design rationale for developing fast-charging and wide-temperature adaptable OEMs for energy storage systems.

Gao, Yawei [ORNL] (ORCID:0000000225672853)↗

DOE OSTI2025

Uplifting winds: The surprisingly positive community-wide impact of wind energy installations on property values

A primary concern of stakeholders when considering a new wind project is the potential negative effects wind turbines may have on home values. Yet, what has been surprisingly overlooked in the literature and general discourse around wind energy is that the well-researched positive economic development and fiscal and amenity benefits of wind energy (e.g., increased tax base, tax revenue, better public services and employment gains) might positively affect jurisdiction-wide housing values. With a focus on school districts in the United States, we compare home values in school districts with wind energy installations, before and after a wind energy installation becomes operational, to home values in other school districts located in the same county but without a wind energy installation to provide some of the first causal evidence on the relationship between wind energy projects and district-wide property values. We find that wind projects lead to economically meaningful increases in district-wide housing values of approximately 3 %, when those values are compared to similar homes located in school districts in same-county without wind energy. The effect is strongly correlated with wind project size. The mechanisms, our research suggests, are likely related to relatively large increases in school district per-pupil revenues and expenditures, which are also correlated with wind project size. We suggest other possible mechanisms for the increased values as well.

Attitudes↗

DOE OSTI2023

Several Small or Single Large? Quantifying the Catchment-Wide Performance of On-Site Wastewater Treatment Plants with Inaccurate Sensors

On-site wastewater treatment plants (OSTs) often lack monitoring, resulting in unreliable treatment performance. They thus appear to be a stopgap solution despite their potential contribution to circular water management. Low-maintenance but inaccurate soft sensors are emerging that address this concern. However, how their inaccuracy impacts the catchment-wide treatment performance of a system of many OSTs has not been quantified. Here, we develop a stochastic model to estimate catchment-wide OST performances with a Monte Carlo simulation. In our study, soft sensors with a 70% accuracy improved the treatment performance from 66% of the time functional to 98%. Soft sensors optimized for specificity, indicating the true negative rate, improve the system performance, while sensors optimized for sensitivity, indicating the true positive rate, quantify the treatment performance more accurately. This new insight leads us to suggest programming two soft sensors in practical settings with the same hardware sensor data as input: one soft sensor geared to high specificity for maintenance scheduling and one geared to high sensitivity for performance quantification. Our findings suggest that a maintenance strategy combining inaccurate sensors with appropriate alarm management can vastly improve the mean catchment-wide treatment performance of a system of OSTs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

A genome-wide association study of suicide attempts in the million veterans program identifies evidence of pan-ancestry and ancestry-specific risk loci

In this study, to identify pan-ancestry and ancestry-specific loci associated with attempting suicide among veterans, we conducted a genome-wide association study (GWAS) of suicide attempts within a large, multi-ancestry cohort of U.S. veterans enrolled in the Million Veterans Program (MVP). Cases were defined as veterans with a documented history of suicide attempts in the electronic health record (EHR; N = 14,089) and controls were defined as veterans with no documented history of suicidal thoughts or behaviors in the EHR ( N = 395,064). GWAS was performed separately in each ancestry group, controlling for sex, age and genetic substructure. Pan-ancestry risk loci were identified through meta-analysis and included two genome-wide significant loci on chromosomes 20 ( p = 3.64 × 10 -9 ) and 1 ( p = 3.69 × 10 -8 ). A strong pan-ancestry signal at the Dopamine Receptor D2 locus ( p = 1.77 × 10 -7 ) was also identified and subsequently replicated in a large, independent international civilian cohort ( p = 7.97 × 10 -4 ). Additionally, ancestry-specific genome-wide significant loci were also detected in African-Americans, European-Americans, Asian-Americans, and Hispanic-Americans. Pathway analyses suggested over-representation of many biological pathways with high clinical significance, including oxytocin signaling, glutamatergic synapse, cortisol synthesis and secretion, dopaminergic synapse, and circadian rhythm. These findings confirm that the genetic architecture underlying suicide attempt risk is complex and includes both pan-ancestry and ancestry-specific risk loci. Moreover, pathway analyses suggested many commonly impacted biological pathways that could inform development of improved therapeutics for suicide prevention.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Genome-wide functional screens enable the prediction of high activity CRISPR-Cas9 and -Cas12a guides in Yarrowia lipolytica

Abstract Genome-wide functional genetic screens have been successful in discovering genotype-phenotype relationships and in engineering new phenotypes. While broadly applied in mammalian cell lines and in E. coli , use in non-conventional microorganisms has been limited, in part, due to the inability to accurately design high activity CRISPR guides in such species. Here, we develop an experimental-computational approach to sgRNA design that is specific to an organism of choice, in this case the oleaginous yeast Yarrowia lipolytica . A negative selection screen in the absence of non-homologous end-joining, the dominant DNA repair mechanism, was used to generate single guide RNA (sgRNA) activity profiles for both SpCas9 and LbCas12a. This genome-wide data served as input to a deep learning algorithm, DeepGuide, that is able to accurately predict guide activity. DeepGuide uses unsupervised learning to obtain a compressed representation of the genome, followed by supervised learning to map sgRNA sequence, genomic context, and epigenetic features with guide activity. Experimental validation, both genome-wide and with a subset of selected genes, confirms DeepGuide’s ability to accurately predict high activity sgRNAs. DeepGuide provides an organism specific predictor of CRISPR guide activity that with retraining could be applied to other fungal species, prokaryotes, and other non-conventional organisms.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Wide bandgap semiconductor materials and devices

The technological and societal impacts of electronic devices based on Ge, Si, and compound semiconductors like GaAs have been profound, fueling the decades long quest in identifying ever-larger bandgap semiconductors to untap new applications and possibilities. Specifically, an increase in the bandgap leads to shorter wavelength emission and an increased breakdown electric field, which has direct consequences for solid-state lighting like light-emitting diodes (LEDs) and laser diodes (LDs) from the visible (blue-green, blue, and violet) and beyond (UV and deep-UV) spectral range and for radically improved power devices supported by a higher intrinsic breakdown strength. Wide bandgap (WBG) semiconductors represent the frontier of materials that satisfy these criteria and include group IV, III–V, and II–VI material families like SiC (3.2 eV), GaN (3.4 eV), and ZnO (3.4 eV), respectively. With even larger bandgaps exceeding 4 eV, ultrawide bandgap (UWBG) semiconductors include diamond, III-nitrides incorporating Al and B (e.g., AlN, BN, and AlGaN), and sesquioxides like Ga 2 O 3 and (Al,Ga) 2 O 3 . These materials span widely varying stages of technological maturity, with SiC and GaN platforms among the most mature with commercially available devices in RF and high-power electronics, while other platforms such as Ga 2 O 3 rapidly advancing and poised to enable new UV and deep-UV optoelectronic devices. This Special Topic on Wide Bandgap Semiconductor Materials and Devices covers broad research subtopics on WBG and UWBG materials that span bulk crystals, epitaxy and substrate technologies, fundamental defect science, and doping, as well as electronic and optoelectronic device fabrication and characterization. Here, we highlight works from the collection, which we categorize by material platform of SiC, III-nitrides, and Ga 2 O 3 and related alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2026

SAIGE-GPU: accelerating genome- and phenome-wide association studies using GPUs

Genome-wide association studies (GWAS) at biobank scale are computationally intensive, especially for admixed populations requiring robust statistical models. SAIGE is a widely used method for generalized linear mixed-model GWAS but is limited by its CPU-based implementation, making phenome-wide association studies impractical for many research groups. We developed SAIGE-GPU, a GPU-accelerated version of SAIGE that replaces CPU-intensive matrix operations with GPU-optimized kernels. The core innovation is distributing genetic relationship matrix calculations across GPUs and communication layers. Applied to 2068 phenotypes from 635 969 participants in the Million Veteran Program, including diverse and admixed populations, SAIGE-GPU achieved a 5-fold speedup in mixed model fitting on supercomputing infrastructure and cloud platforms. We further optimized the variant association testing step through multi-core and multi-trait parallelization. Deployed on Google Cloud Platform and Azure, the method provided substantial cost and time savings. Source code and binaries are available for download at https://github.com/saigegit/SAIGE/tree/SAIGE-GPU-1.3.3. A code snapshot is archived at Zenodo for reproducibility (DOI: [10.5281/zenodo.17642591]). SAIGE-GPU is available in a containerized format for use across HPC and cloud environments and is implemented in R/C++ and runs on Linux systems.

Rodriguez, Alex [Argonne National Laboratory (ANL)↗

DOE OSTI2020

Wide-angle effects for peculiar velocities

ABSTRACT The line-of-sight peculiar velocities of galaxies contribute to their observed redshifts, breaking the translational invariance of galaxy clustering down to a rotational invariance around the observer. This becomes important when the line-of-sight direction varies significantly across a survey, leading to what are known as ‘wide-angle’ effects in redshift-space distortions. Wide-angle effects will also be present in measurements of the momentum field, i.e. the galaxy density-weighted velocity field, in upcoming peculiar velocity surveys. In this work, we study how wide-angle effects modify the predicted correlation function and power spectrum for momentum statistics, both in autocorrelation and in cross-correlation with the density field. Using both linear theory and the Zel'dovich approximation, we find that deviations from the plane-parallel limit are large and could become important in data analysis for low-redshift surveys. We point out that even multipoles in the cross-correlation between density and momentum are non-zero regardless of the choice of line of sight, and therefore contain new cosmological information that could be exploited. We discuss configuration space, Fourier space, and spherical analyses; providing exact expressions in each case rather than relying on an expansion in small angles. We hope these expressions will be of use in the analysis of upcoming surveys for redshift-space distortions and peculiar velocities.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Subaru/HSC deep optical imaging of infrared sources in the AKARI North Ecliptic Pole-Wide field

In this work, we present a five-broad-band (grizy) photometric catalogue of Subaru/Hyper Suprime-Cam (HSC) optical imaging observations at around the North Ecliptic Pole (NEP) where the AKARI infrared (IR) satellite conducted a large survey (NEP-Wide survey). The observations cover almost all the NEP-Wide survey field down to the depth of 28.1, 26.8, 26.3, 25.5, and 25.0 mag (5σ) at grizy, respectively. The five-band HSC catalogue contains about 2.6 million objects, and 70 959 AKARI NEP-Wide counterpart sources are identified in the catalogue. We added existing supplementary catalogues from the u band to the far-IR band, and estimated photo-z for the AKARI-HSC sources. We achieved σΔz/(1 + zs) = 0.06 and an outlier rate of 13.4 per cent at z = 0.2–1.5. Using the spectral energy distribution (SED) template fitting, we classified the AKARI-HSC galaxies into four categories, namely quiescent, star-forming, Type1 active galactic nucleus (AGN), and Type2 AGN, in each redshift bin. Then, at z > 1, the mean SED of star-forming galaxies in mid-IR (3–10 μm) range is significantly different from that of spiral galaxies in the nearby Universe, indicating that many of star-forming galaxies at z > 1 contain a heat source capable of heating dust to temperatures that radiate thermal emission in the mid-IR range. Furthermore, we estimated the number fraction of AGNs (fAGN) in each bin of redshift and IR luminosity (L IR ), and examined the dependence of redshift and L IR . In log(L IR /L ⊙ ) = 11.0–14.0, the fAGN shows a significant increase with increasing redshift, regardless of the LIR bins. In contrast, the fAGN shows a slight increase against L IR at z < 1 and no increase with increasing L IR at z > 1.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Increasing the census of ultracool dwarfs in wide binary and multiple systems using Dark Energy Survey DR1 and Gaia DR2 data

ABSTRACT We present the discovery of 255 binary and 6 multiple system candidates with wide (> 5 arcsec) separation composed by ultracool dwarfs (UCDs) companions to stars, plus nine double ultracool dwarf systems. These systems were selected based on common distance criteria. About 90 per cent of the total sample has proper motions available and 73 per cent of the systems also satisfy a common proper motion criterion. The sample of ultracool candidates was taken from the Dark Energy Survey (DES) and the candidate stellar primaries are from Gaia DR2 and DES data. We compute chance alignment probabilities in order to assess the physical nature of each pair. We find that 174 candidate pairs with Gaia DR2 primaries and 81 pairs with a DES star as a primary have chance alignment probabilities $\lt 5{{\ \rm per\ cent}}$. Only nine candidate systems composed of two UCDs were identified. The sample of candidate multiple systems is made up of five triple systems and one quadruple system. The majority of the UCDs found in binaries and multiples are of early L type and the typical wide binary fraction over the L spectral types is $2\!-\!4{{\ \rm per\ cent}}$. Our sample of candidate wide binaries with UCDs as secondaries constitutes a substantial increase over the known number of such systems, which are very useful to constrain the formation and evolution of UCDs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Triple-halide wide–band gap perovskites with suppressed phase segregation for efficient tandems

Wide–band gap metal halide perovskites are promising semiconductors to pair with silicon in tandem solar cells to pursue the goal of achieving power conversion efficiency (PCE) greater than 30% at low cost. However, wide–band gap perovskite solar cells have been fundamentally limited by photoinduced phase segregation and low open-circuit voltage. Here, we report efficient 1.67–electron volt wide–band gap perovskite top cells using triple-halide alloys (chlorine, bromine, iodine) to tailor the band gap and stabilize the semiconductor under illumination. We show a factor of 2 increase in photocarrier lifetime and charge-carrier mobility that resulted from enhancing the solubility of chlorine by replacing some of the iodine with bromine to shrink the lattice parameter. We observed a suppression of light-induced phase segregation in films even at 100-sun illumination intensity and less than 4% degradation in semitransparent top cells after 1000 hours of maximum power point (MPP) operation at 60°C. By integrating these top cells with silicon bottom cells, we achieved a PCE of 27% in two-terminal monolithic tandems with an area of 1 square centimeter.

14 SOLAR ENERGY↗

DOE OSTI2020

Formation of wide-blocky calcite veins by extreme growth competition

Liassic limestones on the coast of Somerset in the UK contain dense arrays of calcite microveins with a common, but poorly understood microstructure, characterized by laterally wide crystals that form bridges across the vein. We investigated the mechanisms of formation and evolution of these ‘wide-blocky’ vein microstructures using a combination of high-resolution analytical methods, including virtual petrography, optical cathodoluminescence and scanning electron microscopy techniques (e.g. energy-dispersive X-ray spectrometry, back-scattered electron imaging, cathodoluminescence and electron back-scattered diffraction), laboratory experiments and multiphase field modelling. Our results indicate that the studied veins formed in open, fluid-filled fractures, each in a single opening and sealing episode. As shown by the optical and electron back-scattered diffraction images, the vein crystals grew epitaxially on grains of the wall rock and we hypothesize that their growth rates differed depending on whether the crystals were on a wall rock grain substrate that fractured intergranularly (slow growth rates) or transgranularly (rapid growth rates). Our multiphase field models support this hypothesis, showing that wide, blocky crystals only form where there are significant differences in the growth rate and are dependent on the type of seed grain. These results provide strong evidence for extreme growth competition, a process that we propose controls vein-filling in many micritic carbonate reservoirs, as well as demonstrate that the characteristics of the fracture wall can affect the filling processes in syntaxial veins. Supplementary material: The description and images of the studied thin sections are available at https://doi.org/10.6084/m9.figshare.c.5172371 . High-resolution optical microscopy mosaics (under plane-polarized- and crossed polarized light) of the thin section collection in PetroScan file format are available on request from the authors.

Geology↗

DOE OSTI2022

Temporal and spatial laser intensification within nodular defects overcoated with multilayer dielectric mirrors over a wide range of defect geometries

The nodular defect shape and the laser incidence angle have a dramatic impact on the spatial distribution of light intensification within the nodule as well as how the laser light is drained from the defect. Nodular defect geometries unique to ion beam sputtering, ion-assisted deposition, and electron-beam (e-beam) deposition, respectively, are modeled in this parametric study over a wide range of nodular inclusion diameters and layer count for optical interference mirror coatings constructed with quarter-wave thicknesses and capped with a half wave of the low index material. It was found for hafnia ($n$=1.9) and silica ($n$=1.45) multilayer mirrors that the light intensification in nodular defects with a $C$ factor of 8, typical of e-beam deposited coatings deposited with a wide range of deposition angles, was maximized for a 24-layer design. For intermediate size inclusion diameters, increasing the layer count for normal incidence multilayer mirrors reduced the light intensification within the nodular defect. A second parametric study explored the impact of the nodule shape on the light intensification for a fixed number of layers. In this case, there is a strong temporal trend for the different nodule shapes. Narrow nodules tend to drain more laser energy through the bottom of the nodule into the substrate while wide nodules tend to drain more laser energy through the top of the nodule when irradiated at normal incidence. Further, at a 45° incidence angle, waveguiding is an additional method to drain laser energy from the nodular defect. Finally, laser light resonates within nodular defects longer than within the adjacent nondefective multilayer structure.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Genome-wide Association Study Identifies Candidate Loci with Major Contributions to the Genetic Control of Pod Morphological Traits in Snap Bean

Snap beans are cultivars of common bean (Phaseolus vulgaris) that are cultivated for their fleshy immature pods that exhibit a wide diversity of pod shapes and sizes. The genetic basis of the snap bean pod shape is complex and involves the interaction of multiple genes. This study used a snap bean diversity panel composed of heirloom and improved cultivars used in North America and genome-wide association studies (GWAS) to investigate the genetic basis of pod morphological characteristics, including length, width, height, width/height ratio, and coefficients of variation (CVs). The GWAS detected multiple genomic regions associated with each pod trait, with a total of 20 quantitative trait loci (QTLs) for pod length, 9 for pod width, 14 for pod height, and 10 for pod width/height ratio. Regarding theCVof each pod trait, genome-wide association analyses detected six QTL for lengthCVs, five for widthCVs, 15 for heightCVs, and six for width/height ratioCVs. Thirteen regions in seven chromosomes were associated with two or more pod traits. Eighteen QTLs for pod traits in this study colocated with previously reported QTLs for pod and seed traits. The QTL intervals encompass gene models with homologues in other species that are involved in the control of developmental processes. These results capture the complex nature of the genetic control of snap bean pod traits and confirm the significance of genomic regions harboring overlapping QTLs identified in this and other studies. The phenotypic expression of pod traits in snap bean appears to be under the control of a few genomic regions with a strong effect with additional contributions of multiple small-effect regions. Validation of the function of the candidate genes identified in associated regions will contribute to our understanding of legume pod development.

Agriculture↗

DOE OSTI2021

Highly Integrated Wide Bandgap Power Module for Next Generation Plug-In Vehicles (Final Report)

Wide bandgap devices are key enablers for high power density traction inverters. A highly integrated wide bandgap (WBG) power module enables higher temperature operation, higher inverter efficiency and overall smaller die area with the same power delivery. However, it requires careful design of the power module to take advantage of all the superior material properties that silicon carbide (SiC) provides over conventional silicon (Si) Insulated Gate Bipolar Transistor (IGBT) based design. This project developed an efficient and densely packed SiC power module for an automotive traction inverter application. Extensive study was performed to select the best performing SiC die considering a wide range of temperature variation, suitability to integrate into target packaging, robust body diode performance and overall high electrical efficiency. Multiple design ideas were explored to achieve lower stray inductance for both power loop and signal loop, uniform current distribution, compact form factor, and very high thermal performance. The final power module package includes all six inverter switches in the same module (six-pack) with die sintered at both bottom and top surfaces utilizing high performance substrate to achieve high electrical and thermal performance. Two power module variants were developed using 900 V and 1200 V devices for operating at two different high voltage levels (> 600 V HV battery). Both power modules were comprehensively characterized, and high efficiency operation of the inverter was confirmed through analysis. Finally, a complete functional inverter was built with the 1200V power modules using other essential components (HV capacitors, gate driver board, controller board, current sensor, connectors etc.) and tested using GM’s standard test procedure. There are several challenges associated with adopting WBG devices for high voltage operation. In order to assess and mitigate those challenges, GM and subrecipients of this project have conducted multiple detailed studies. This includes phase current reconstruction using integrated Rogowski coil, device junction temperature estimation using on-state gate resistance, modeling and testing the effect of high voltage and fast switching on motor insulation and bearings, partial discharge inception voltage measurement under different environmental conditions. Findings of all these studies are summarized in this report.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Kilonova Detectability with Wide-Field Instruments [Slides]

A diverse set of instruments increase the chances of detecting and identifying a kilonova. Early observations increase the probability of detection. More sensitive wide-field ultraviolet instruments are needed as GW detectors reach design sensitivity. There is a dearth of wide-field infrared instruments. These results are useful for guiding kilonova searches following a GW detection and sGRD observation, proposals for time on current and upcoming instruments, and planning future wide-field instruments.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Wide Bandgap Semiconductors for Extreme Temperature and Radiation Environments

With their greater voltage breakdowns, higher current limitations, and faster switching speeds, wide bandgap semiconductors are increasing in market application over the traditionally dominant silicon devices. Silicon carbide semiconductors have been increasing the efficiency and reducing the footprint of modern power electronics, and the increased electron mobility of gallium nitride semiconductors have been increasing the switching frequencies of radio frequency circuits. In extreme temperature (>225°C) applications and high radiation environments such as low earth orbit, deep space, and terrestrial nuclear reactors, silicon-based semiconductors degrade rapidly. Wide bandgap semiconductors are poised to disrupt the market for sensing, instrumentation, and communication circuitry in these hazardous environments by increasing the lifetime, safety, and reliability. This report outlines the advantages of using wide bandgap semiconductor materials in extreme temperature and radiation environments.

36 MATERIALS SCIENCE↗

DOE OSTI2022

WECC Wide-Area Oscillation Assessment and Trending Study Report

This project, Wide-area Oscillation Analysis and Trending Study, is sponsored by the Office of Electricity (OE) of the Department of Energy (DOE) who tasked Northwest National Laboratory (PNNL) to conduct this research. Staff of Federal Energy Regulatory Commission (FERC) have been involved in the project as observers and have provided advisory comments and suggestions. The primary objective of this study is to assess whether there are significant trends in the wide-area oscillatory behavior with respect to the significant generation-mix changes brought by the increased penetration of RES in the WECC system. The work performed in this project is considered to be complimentary to previous work by NERC/industry and covers the aspects that have not been studied or trended before. The trending analysis presented in this report can serve as reference for future grid planning and operation of the WECC system. In this report, how the changes in the generation mix can impact the frequency and damping ratio (DR) of WECC wide-area oscillation modes has been studied. Thorough data-based and model-based analyses have been carried out to analyze the current trends and then extended to evaluate the oscillation behaviors of the future WECC system.

24 POWER TRANSMISSION AND DISTRIBUTION↗