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GeoBridge: Connecting Communities to Geothermal Information and Opportunities: Preprint

The geothermal community is well established with long-standing events, organizations, and tools that are known across the geothermal community. But many of these tools and resources are located behind pay walls, require memberships, or are otherwise difficult to find, especially for people looking to join the geothermal community. These barriers to access can prevent outsiders from discovering valuable geothermal resources, limiting the geothermal community's potential for collaboration with other communities, such as clean energy entrepreneurs looking to expand into geothermal energy. The Department of Energy's (DOE) GeoBridge serves to bring these communities together by acting as a single, publicly accessible, searchable portal that facilitates easy access to available geothermal knowledge and information. It works to expand and diversify the pool of geothermal stakeholders by providing in-roads to geothermal information and community resources. It helps build a stronger geothermal community; one inclusive of individuals and groups from a variety of different backgrounds, including potential investors and start-up companies looking to accelerate innovation in geothermal technologies. By linking communities to geothermal information, analysis and expertise, GeoBridge serves as a launch point, directing interested parties to existing data and tools, events, educational resources, STEM programs, permitting and regulatory information, and other resources that can be used to evaluate, promote, and discover geothermal opportunities.

access↗

GeoBridge: Connecting Communities to Geothermal Information and Opportunities

The geothermal community is well established with long-standing events, organizations, and tools that are known across the geothermal community. But many of these tools and resources are located behind pay walls, require memberships, or are otherwise difficult to find, especially for people looking to join the geothermal community. These barriers to access can prevent outsiders from discovering valuable geothermal resources, limiting the geothermal community's potential for collaboration with other communities, such as clean energy entrepreneurs looking to expand into geothermal energy. The Department of Energy's (DOE) GeoBridge serves to bring these communities together by acting as a single, publicly accessible, searchable portal that facilitates easy access to available geothermal knowledge and information. It works to expand and diversify the pool of geothermal stakeholders by providing in-roads to geothermal information and community resources. It helps build a stronger geothermal community; one inclusive of individuals and groups from a variety of different backgrounds, including potential investors and start-up companies looking to accelerate innovation in geothermal technologies. By linking communities to geothermal information, analysis and expertise, GeoBridge serves as a launch point, directing interested parties to existing data and tools, events, educational resources, STEM programs, permitting and regulatory information, and other resources that can be used to evaluate, promote, and discover geothermal opportunities.

access↗

Balancing Authority Cooperation Concepts to Reduce Variable Generation Integration Costs in the Western Interconnection: Consolidating Balancing Authorities and Sharing Balancing Reserves

The study described in this chapter demonstrates the benefits of BA consolidation with the help of a detailed WECC system model and advanced methodology, which is also described in this chapter. The study aims to determine the potential savings in production cost and reduction in balancing reserve requirements in the WECC system. The study has found that effective use of the diversity in load and variable generation over a wide area can indeed help to achieve significant savings. The implementation cost for the consolidation was beyond the scope of this study. The analysis was performed for two different scenarios of VG penetration: 11% (8% wind and 3% solar) and 33% (24% wind and 9% solar) of WECC projected energy demand in 2020. In analysis of balancing reserves, the objective was to determine the reduction in balancing reserve requirements due to BA consolidation, in terms of required capacity and ramp-rates. Hour-ahead and 10-minute ahead forecast errors for load, wind, and solar were simulated. In addition, 1-minute resolution load, wind and solar data were used to derive balancing reserve requirements i.e. load-following and regulation requirements for each individual BA and for the consolidated BA (CBA). The reduction in balancing reserves was determined by calculating the difference between total reserve requirements that need to be carried by different BAs if they operate individually, and reserve requirements that need to be carried by the CBA. The study results show that the consolidated WECC system would have about a 50% overall reduction in balancing reserves for the 11% penetration scenario and a 65% reduction for the 33% penetration scenario in comparison with total reserve requirements that need to be carried by different BAs if they operate individually.

balancing authorities consolidation↗

Second release of the CoRe database of binary neutron star merger waveforms

Abstract We present the second data release of gravitational waveforms from binary neutron star (BNS) merger simulations performed by the Computational Relativity ( CoRe ) collaboration. The current database consists of 254 different BNS configurations and a total of 590 individual numerical-relativity simulations using various grid resolutions. The released waveform data contain the strain and the Weyl curvature multipoles up to ℓ = m = 4 . They span a significant portion of the mass, mass-ratio, spin and eccentricity parameter space and include targeted configurations to the events GW170817 and GW190425. CoRe simulations are performed with 18 different equations of state, seven of which are finite temperature models, and three of which account for non-hadronic degrees of freedom. About half of the released data are computed with high-order hydrodynamics schemes for tens of orbits to merger; the other half is computed with advanced microphysics. We showcase a standard waveform error analysis and discuss the accuracy of the database in terms of faithfulness. We present ready-to-use fitting formulas for equation of state-insensitive relations at merger (e.g. merger frequency), luminosity peak, and post-merger spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Hemispherical color differences on Pluto and Charon

Time-resolved multicolor photometric observations of Pluto-Charon mutual events have been used to derive individual colors for these two bodies and to investigate the degree of color differences between their synchronous facing and opposite hemispheres. Pluto is significantly redder than Charon, where direct measurements of the anti-Charon hemisphere of Pluto and the Pluto-facing hemisphere of Charon yield B-V magnitudes of 0.867 + or - 0.008 and 0.700 + or - 0.010, respectively. Both Pluto and Charon are found to have relatively uniform longitudinal color distributions with 1-sigma upper limits of 2 percent and 5 percent, respectively, for any large-scale hemispherical color asymmetries. Thus, a previous suspicion of a significant color asymmetry on Charon is not confirmed. Instead the data may be attributed to a direct detection of polar caps on Pluto.

Binzel, Richard P.↗

Fe/Mn in olivine of carbonaceous meteorites

Olivines in primitive meteorites show a range of Fe/Mn both within one grain and among grains suggesting that they have recorded changing conditions during or after growth. Because olivine should be an early forming phase, Fe/Mn is used here to infer these earliest conditions. Initial Fe/Mn in cores of isolated, euhedral forsterite in both C2 and C3 meteorites ranges from 25 to 35 but differs at grain edge. Murchison (C2) forsterites show Fe/Mn approaching 1.0 at the grain edge while Ornans Fe/Mn is near 60 at grain edge. These values are lower than the matrix Fe/Mn for both meteorites and the distinct difference in zoning profile indicates different processes operating during and after grain growth. The Fe/Mn of bulk samples from a particular source such as the Moon is nearly constant. Individual samples show variation suggesting that there is some fractionation of Mn from Fe. Minerals have their individual ranges of Fe/Mn which has been used to recognize different types of olivine within one meteorite. Extreme values of Fe/Mn below 1.0 occur in forsterite from some IDP's, UOC matrix, and C1 meteorites. There are apparently no detailed studies of Fe/Mn variation within single olivine grains. Forsterite grains in C2 and C3 carbonaceous chondrites show complex zoning, and the nearly pure forsterites (Fo greater than approximately 99.5) have high levels of some minor elements including Ti, Al, V, and Sc. There is disagreement on the original source of these grains and both chondrule and vapor growth have been proposed. In addition, there is clear evidence that diffusion has affected the outer margins but in some cases the whole grain. Within the cores, the FeO range is limited, and if growing under constant conditions, the Fe/Mn should be near constant as there is little fractionation of Mn from Fe by forsterite. Additionally, there are apparently no co-crystallizing phases as evidenced by a lack of common inclusions in the forsterites. These observations are now followed by analyses of isolated olivine grains in C2 and C3 meteorites.

Steele, Ian M.↗

Liquid Cooling/Warming Garment

The NASA liquid cooling/ventilating garment (LCVG) currently in use was developed over 40 years ago. With the commencement of a greater number of extra-vehicular activity (EVA) procedures with the construction of the International Space Station, problems of astronaut comfort, as well as the reduction of the consumption of energy, became more salient. A shortened liquid cooling/warming garment (SLCWG) has been developed based on physiological principles comparing the efficacy of heat transfer of different body zones; the capability of blood to deliver heat; individual muscle and fat body composition as a basis for individual thermal profiles to customize the zonal sections of the garment; and the development of shunts to minimize or redirect the cooling/warming loop for different environmental conditions, physical activity levels, and emergency situations. The SLCWG has been designed and completed, based on extensive testing in rest, exercise, and antiorthostatic conditions. It is more energy efficient than the LCVG currently used by NASA. The total length of tubing in the SLCWG is approximately 35 percent less and the weight decreased by 20 percent compared to the LCVG. The novel features of the innovation are: 1. The efficiency of the SLCWG to maintain thermal status under extreme changes in body surface temperatures while using significantly less tubing than the LCVG. 2. The construction of the garment based on physiological principles of heat transfer. 3. The identification of the body areas that are most efficient in heat transfer. 4. The inclusion of a hood as part of the garment. 5. The lesser consumption of energy.

Koscheyev, Victor S.↗

Correcting infrared satellite estimates of sea surface temperature for atmospheric water vapor attenuation

A new satellite sea surface temperature (SST) algorithm is developed that uses nearly coincident measurements from the microwave special sensor microwave imager (SSM/I) to correct for atmospheric moisture attenuation of the infrared signal from the advanced very high resolution radiometer (AVHRR). This new SST algorithm is applied to AVHRR imagery from the South Pacific and Norwegian seas, which are then compared with simultaneous in situ (ship based) measurements of both skin and bulk SST. In addition, an SST algorithm using a quadratic product of the difference between the two AVHRR thermal infrared channels is compared with the in situ measurements. While the quadratic formulation provides a considerable improvement over the older cross product (CPSST) and multichannel (MCSST) algorithms, the SSM/I corrected SST (called the water vapor or WVSST) shows overall smaller errors when compared to both the skin and bulk in situ SST observations. Applied to individual AVHRR images, the WVSST reveals an SST difference pattern (CPSST-WVSST) similar in shape to the water vapor structure while the CPSST-quadratic SST difference appears unrelated in pattern to the nearly coincident water vapor pattern. An application of the WVSST to week-long composites of global area coverage (GAC) AVHRR data demonstrates again the manner in which the WVSST corrects the AVHRR for atmospheric moisture attenuation. By comparison the quadratic SST method underestimates the SST corrections in the lower latitudes and overestimates the SST in th e higher latitudes. Correlations between the AVHRR thermal channel differences and the SSM/I water vapor demonstrate the inability of the channel difference to represent water vapor in the midlatitude and high latitudes during summer. Compared against drifting buoy data the WVSST and the quadratic SST both exhibit the same general behavior with the relatively small differences with the buoy temperatures.

Emery, William J.↗

Soil depth and crop determinants of bacterial communities under ten biofuel cropping systems

Biofuel-cropping systems, projected for large land areas, can potentially change their soil microbiome and the ecosystem services they catalyze. Here, we determined the bacterial community composition and relevant soil properties for samples collected after 6 crop years at 0–10 cm, 10–25 cm, 25–50 cm, and 50–100 cm under corn, switchgrass, Miscanthus, and restored prairie, as well as 0–10 cm under six additional candidate biofuel crops in replicate side-by side plots. Deep sequencing of the 16S rRNA-V4 region established that soil bacterial communities were significantly differentiated by depth as determined by proportional OTU abundance and composition, UniFrac distance, and taxonomic and indicator analyses. The cropping system significantly impacted bacterial community composition within the top three layers, with corn and switchgrass communities the most different within the 0–25 cm and 25–50 cm depths, respectively. The effects of crop type and depth co-mingled, likely attributed to differences in rooting depth and biomass among crops. Individual phyla demonstrated varying patterns with depth, with significant proportional decreases of Proteobacteria, Actinobacteria, Planctomycetes, and Bacteroidetes but proportional increases of Firmicutes from shallow to deep soils. The Acidobacteria, Verrucomicrobia, and Chloroflexi peaked in abundance in the middle layers, whereas Thaumarchaeota decreased in abundance. Importantly, some classes within the Acidobacteria, Verrucomicrobia, and Firmicutes followed contrasting patterns with depth suggesting that they have different ecological specializations. Poplar, followed by soils with perennial crops contained the most C in the surface soils, with data indicating that these differences will become more pronounced with time.

09 BIOMASS FUELS↗

Quantifying the Impact of Excluding the Submersion Exposure Route for Existing Superfund Radionuclide Screening Level Calculator Soil and Tap Water Models

The U.S. Environmental Protection Agency (EPA) provides initial data screening guidelines for radionuclide-contaminated Superfund sites using preliminary remediation goals (PRGs) and dose compliance concentrations (DCCs). PRGs and DCCs are target concentration values based on acceptable excess lifetime cancer risk and annual dose limits, respectively. They are calculated for various environmental media that may be encountered by residential and worker land uses. PRGs and DCCs typically consist of multiple exposure routes. One of these routes is submersion, which is exposure to a gaseous or particulate radionuclide that is suspended in air. Currently, submersion is only included in air calculations. This study focused on determining whether factoring submersion into total PRG/DCC calculations for soil and tap water created a significant difference in the target concentrations. New equations for individual submersion PRGs/DCCs for each land use of interest for soil and tap water were developed. A wind-driven particulate emission factor and Andelman’s constant were used to model the amount of soil and vapor in the air from soil and household use of tap water, respectively. The submersion PRG/DCC was then included in the total PRG/DCC for each radionuclide, followed by a percent difference comparison of the old and new totals to quantify the impact of the change. For total soil PRGs/DCCs, with and without submersion, the difference was less than 1 percent; however, many of the tap water radionuclides analyzed – including multiple radon and polonium isotopes – showed as high as a 200 percent difference.This technical memorandum (TM) presents recommendations for updates to current EPA guidelines for initial data screens of radionuclide contaminated tap water.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Enhanced localized energetic ion losses resulting from first-orbit linear and non-linear interactions with Alfvén eigenmodes in DIII-D

Two key insights into interactions between Alfvén eigenmodes (AEs) and energetic particles in the plasma core are gained from measurements and modeling of first-orbit beam-ion loss in DIII-D. First, the neutral beam-ion first-orbit losses are enhanced by AEs and a single AE can cause large fast-ion displacement. The coherent losses are from born trapped full energy beam-ions being non-resonantly scattered by AEs onto loss orbits within their first poloidal transit. The loss amplitudes scale linearly with the mode amplitude but the slope is different for different modes. The radial displacement of fast-ions by individual AEs can be directly inferred from the measurements. Second, oscillations in the beam-ion first-orbit losses are observed at the sum, difference, and harmonic frequencies of two independent AEs. These oscillations are not plasma modes and are absent in magnetic, density, and temperature fluctuations. The origin of the non-linearity as a wave-particle coupling is confirmed through bi-coherence analysis, which is clearly observed because the coherences are preserved by the first-orbit loss mechanism. An analytic model and full orbit simulations show that the non-linear features seen in the loss signal can be explained by a non-linear interaction between the fast ions and the two independent AEs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A comparison of methods used to unveil the genetic and metabolic pool in the built environment

BACKGROUND:A majority of indoor residential microbes originate from humans, pets, and outdoor air and are not adapted to the built environment (BE). Consequently, a large portion of the microbes identified by DNA-based methods are either dead or metabolically inactive. Although many exceptions have been noted, the ribosomal RNA fraction of the sample is more likely to represent either viable or metabolically active cells. We examined methodological variations in sample processing using a defined, mock BE microbial community to better understand the scope of technique-based vs. biological-based differences in both ribosomal transcript (rRNA) and gene (DNA) sequence community analysis. Based on in vitro tests, a protocol was adopted for the analysis of the genetic and metabolic pool (DNA vs. rRNA) of air and surface microbiomes within a residential setting. RESULTS:We observed differences in DNA/RNA co-extraction efficiency for individual microbes, but overall, a greater recovery of rRNA using FastPrep (> 50%). Samples stored with various preservation methods at - 80°C experienced a rapid decline in nucleic acid recovery starting within the first week, although post-extraction rRNA had no significant degradation when treated with RNAStable. We recommend that co-extraction samples be processed as quickly as possible after collection. The in vivo analysis revealed significant differences in the two components (genetic and metabolic pool) in terms of taxonomy, community structure, and microbial association networks. Rare taxa present in the genetic pool showed higher metabolic potential (RNA:DNA ratio), whereas commonly detected taxa of outdoor origins based on DNA sequencing, especially taxa of the Sphingomonadales order, were present in lower relative abundances in the viable community. CONCLUSIONS:Although methodological variations in sample preparations are high, large differences between the DNA and RNA fractions of the total microbial community demonstrate that direct examination of rRNA isolated from a residential BE microbiome has the potential to identify the more likely viable or active portion of the microbial community. In an environment that has primarily dead and metabolically inactive cells, we suggest that the rRNA fraction of BE samples is capable of providing a more ecologically relevant insight into the factors that drive indoor microbial community dynamics.

59 BASIC BIOLOGICAL SCIENCES↗

SU-C-BRD-06: Results From a 5 Patient in Vivo Rectal Wall Dosimetry Study Using Plastic Scintillation Detectors

Purpose: To evaluate the performance characteristics of plastic scintillation detectors (PSDs) in an in vivo environment for external beam radiation, and to establish the usefulness and ease of implementation of a PSD based in vivo dosimetry system for routine clinical use. Methods: A five patient IRB approved in vivo dosimetry study was performed. Five patients with prostate cancer were enrolled and PSDs were used to monitor rectal wall dose and verify the delivered dose for approximately two fractions each week over the course of their treatment (approximately fourteen fractions), resulting in a total of 142 in vivo measurements. A set of two PSDs was fabricated for each patient. At each monitored fraction the PSDs were attached to the anterior surface of an endorectal balloon used to immobilize the patient's prostate during treatment. A CT scan was acquired with a CTon- rails linear accelerator to localize the detectors and to calculate the dose expected to be delivered to the detectors. Each PSD acquired data in 10 second intervals for the duration of the treatment. The deviation between expected and measured cumulative dose was calculated for each detector for each fraction, and averaged over each patient and the patient population as a whole. Results: The average difference between expected dose and measured dose ranged from -3.3% to 3.3% for individual patients, with standard deviations between 5.6% and 7.1% for four of the patients. The average difference for the entire population was -0.4% with a standard deviation of 2.8%. The detectors were well tolerated by the patients and the system did not interrupt the clinical workflow. Conclusion: PSDs perform well as in vivo dosimeters, exhibiting good accuracy and precision. This, combined with the practicability of using such a system, positions the PSD as a strong candidate for clinical in vivo dosimetry in the future. This work supported in part by the National Cancer Institute through an R01 grant (CA120198-01A2) and by the American Legion Auxiliary through the American Auxiliary Fellowship in Cancer Research.

60 APPLIED LIFE SCIENCES↗

The Collection, Usage, and Preliminary Examination of the Apollo Sample Suite: Lessons for Artemis

Apollo Sample Collection and Usage: From 1969 to 1972 there were six Apollo missions to the surface of the Moon during which the astronauts collected 382 kg of rock and regolith (~2200 samples). The samples collected fall into these general categories: rocks (~66% by mass), rake samples (~4%), bulk regolith (~24%), and specialty regolith (deep drill cores, drive tubes, sealed bulk regolith) samples (~6%). In each category there are a variety of different subtypes available for study, e.g., among the bulk regolith samples there are also skim, trench, and (partially) shaded regolith samples each sampling unique types or depths of regolith. This variety of subsamples has enabled a multitude of different studies over the past 55 years (>3400 individual requests). We are still averaging ~50 unique requests and have allocated >500 individual Apollo samples annually for the past 10 years (2020 excepted). Looking at the 4,675 non-ANGSA (Apollo Next Generation Sample Analysis) samples allocated over the past 10 years, the proportions of allocated samples do not precisely align with the abundance (by mass) of those samples withing the collection: Rock (69.4 %); Rake (10.8 %); Bulk Regolith (15.5 %); Drive Tube (3.3 %); Core/Specialty (1.0 %). Apollo Preliminary Examination (PE): The PE process differs significantly for the various sample types enumerated above; we focus on regolith and rock samples here. During the Apollo mission era, the PE process evolved over the course of the missions; below is what was done for the Apollo 17 mission. For regolith samples, the PE process was: (1) documented bags containing regolith are opened, photographed, and described; (2) large rocks are removed and treated separately; (3) 25% to 33% of the bulk soil is scooped out, weighed, and stored in reserve; (4) the remaining sample is sieved to produce the size fractions <1, 1- 2, 2-4, and 4-10 mm, all of which are weighed. For rock samples, the process is: (1) removing rocks from the container(s) it came back from the Moon in; (2) rematching any materials that spalled off the rock to their original location; (3) numbering, weighing, and basic photographic documentation; (4) dusting with a gentle N2 gas jet; (5) Orthogonal photography; (6) detailed description of the textures and features of the rock; (7) rock modelling and measurement; (8) stereophotography; (9) determination of the orientation of the rock on the lunar surface. Drive tubes and deep drill cores were not characterized during PE beyond an initial weight and a sketch of the interior tube materials derived from 2D medical X-ray images. Catalogs: The ongoing utility of the Apollo samples is enabled by the robust cataloguing process for the samples [3-5], which allows the scientific community to accurately request samples uniquely suited to their proposed studies. A common misconception, however, is the amount of detail that goes into the initial catalog (e.g., [6]) for a collection from the preliminary examination (PE) period, versus what goes into the catalogs that come later in the life cycle of the samples from that mission (e.g., [7]). The only required data for a PE catalog is a weight, a basic photograph, and a description of the nature of the sample. Artemis PE: Over the past few years, the ongoing ANGSA project studied previously unopened Apollo 17 double drive tube samples 73001/2 [1], and a PE of the drive tubes was done. The PE took the existing core dissection process (developed during PE of Apollo cores in the 1970s, 1980s), and modernized it [7]. The main lesson from the ANGSA PE relative to future missions was that the physical work done during PE of lunar samples has not changed much over the past 5 decades. The use of “modern” technology during PE (e.g., XCT; multispectral analyses) resulted in an enhanced initial understanding of the 73001 and 73002 drive tubes, but greatly increased the time required. The lessons learned from recent astromaterial PEs (e.g., ANGSA and OREx) are important to consider when planning for Artemis, but the unique nature of the Artemis Campaign means many lessons learned from these mission will not be applicable. Given the time constraints (6 months) and likely number of samples that will be returned by Artemis (>200), the Artemis PE catalog will necessarily look much more like [4] than [6].

J Gross↗

Report on active and planned spacecraft and experiments

This report provides the professional community with information on current and planned spacecraft activity (including both free-flying spacecraft and Shuttle-attached payloads) for a broad range of scientific disciplines. By providing a brief description of each spacecraft and experiment as well as its current status, it is hoped that this document will be useful to many people interested in the scientific, applied, and operational uses of the data collected. Furthermore, for those investigators who are planning or coordinating future observational programs employing a number of different techniques such as rockets, balloons, aircraft, ships, and buoys, this document can provide some insight into the contributions that may be provided by orbiting instruments. The document includes information concerning active and planned spacecraft and experiments. The information covers a wide range of scientific disciplines: astronomy, earth sciences, meteorology, planetary sciences, aeronomy, particles and fields, solar physics, life sciences, and material sciences. These spacecraft projects represent the efforts and funding of individual countries, as well as cooperative arrangements among different countries.

Schofield, N. J., Jr.↗

A fully distributed asynchronous approach for multi-area coordinated network-constrained unit commitment

This paper discusses a consensus-based alternating direction method of multipliers (ADMM) approach to solve the multi-area coordinated network-constrained unit commitment (NCUC) problem in a distributed manner. Due to political and technical difficulties, it is neither practical nor feasible to solve the multi-area coordination problem in a centralized fashion, which requires full access to all data of individual areas. In comparison, in the proposed fully-distributed approach, local NCUC problems of individual areas can be solved independently, and only limited information is exchanged among adjacent areas for facilitating multi-area coordination. Furthermore, as traditional ADMM can only guarantee convergence for convex problems, this paper discusses several strategies to mitigate oscillations, enhance convergence performance, and derive good-enough feasible solutions, including: (i) A tie-line power flow based area coordination strategy is designed to reduce the number of global consensus variables; (ii) Different penalty parameters \r{ho} are assigned to individual consensus variables and are updated via certain rules during the iterative procedure, which would reduce the impact of initial values of \r{ho} on convergence performance; (iii) Heuristic rules are adopted to fix certain unit commitment variables for avoiding oscillations during the iterative procedure; and (iv) An asynchronous distributed strategy is studied, which solves NCUC subproblems of small areas multiple times and exchanges information with adjacent areas more frequently within one complete run of slower NCUC subproblems of large areas. Numerical cases illustrate effectiveness of the proposed asynchronous fully-distributed NCUC approach, and investigate key factors that would affect its convergence performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Snowmass2021 Computational Frontier White Paper: Cosmological Simulations and Modeling

Powerful new observational facilities will come online over the next decade, enabling a number of discovery opportunities in the "Cosmic Frontier", which targets understanding of the physics of the early universe, dark matter and dark energy, and cosmological probes of fundamental physics, such as neutrino masses and modifications of Einstein gravity. Synergies between different experiments will be leveraged to present new classes of cosmic probes as well as to minimize systematic biases present in individual surveys. Success of this observational program requires actively pairing it with a well-matched state-of-the-art simulation and modeling effort. Next-generation cosmological modeling will increasingly focus on physically rich simulations able to model outputs of sky surveys spanning multiple wavebands. These simulations will have unprecedented resolution, volume coverage, and must deliver guaranteed high-fidelity results for individual surveys as well as for the cross-correlations across different surveys. The needed advances are as follows: (1) Development of scientifically rich and broadly-scoped simulations, which capture the relevant physics and correlations between probes (2) Accurate translation of simulation results into realistic image or spectral data to be directly compared with observations (3) Improved emulators and/or data-driven methods serving as surrogates for expensive simulations, constructed from a finite set of full-physics simulations (4) Detailed and transparent verification and validation programs for both simulations and analysis tools. (Abridged)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Identifying strengths and weaknesses of methods for computational network inference from single-cell RNA-seq data

Single-cell RNA-sequencing (scRNA-seq) offers unparalleled insight into the transcriptional programs of different cellular states by measuring the transcriptome of thousands of individual cells. An emerging problem in the analysis of scRNA-seq is the inference of transcriptional gene regulatory networks and a number of methods with different learning frameworks have been developed to address this problem. Here, we present an expanded benchmarking study of eleven recent network inference methods on seven published scRNA-seq datasets in human, mouse, and yeast considering different types of gold standard networks and evaluation metrics. We evaluate methods based on their computing requirements as well as on their ability to recover the network structure. We find that, while most methods have a modest recovery of experimentally derived interactions based on global metrics such as Area Under the Precision Recall curve, methods are able to capture targets of regulators that are relevant to the system under study. Among the top performing methods that use only expression were SCENIC, PIDC, MERLIN or Correlation. Addition of prior biological knowledge and the estimation of transcription factor activities resulted in the best overall performance with the Inferelator and MERLIN methods that use prior knowledge outperforming methods that use expression alone. We found that imputation for network inference did not improve network inference accuracy and could be detrimental. Comparisons of inferred networks for comparable bulk conditions showed that the networks inferred from scRNA-seq datasets are often better or at par with the networks inferred from bulk datasets. Our analysis should be beneficial in selecting methods for network inference. At the same time, this highlights the need for improved methods and better gold standards for regulatory network inference from scRNAseq datasets.

59 BASIC BIOLOGICAL SCIENCES↗