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At least 271 records · Page 15

Improving climate model coupling through a complete mesh representation: a case study with E3SM (v1) and MOAB (v5.x)

One of the fundamental factors contributing to the spatiotemporal inaccuracy in climate modeling is the mapping of solution field data between different discretizations and numerical grids used in the coupled component models. The typical climate computational workflow involves evaluation and serialization of the remapping weights during the preprocessing step, which is then consumed by the coupled driver infrastructure during simulation to compute field projections. Tools like Earth System Modeling Framework (ESMF) and TempestRemap offer capability to generate conservative remapping weights, while the Model Coupling Toolkit (MCT) that is utilized in many production climate models exposes functionality to make use of the operators to solve the coupled problem. However, such multistep processes present several hurdles in terms of the scientific workflow and impede research productivity. In order to overcome these limitations, we present a fully integrated infrastructure based on the Mesh Oriented datABase (MOAB) library, which allows for a complete description of the numerical grids and solution data used in each submodel. Through a scalable advancing-front intersection algorithm, the supermesh of the source and target grids are computed, which is then used to assemble the high-order, conservative, and monotonicity-preserving remapping weights between discretization specifications. The Fortran-compatible interfaces in MOAB are utilized to directly link the submodels in the Energy Exascale Earth System Model (E3SM) to enable online remapping strategies in order to simplify the coupled workflow process. We demonstrate the superior computational efficiency of the remapping algorithms in comparison with other state-of-the-science tools and present strong scaling results on large-scale machines for computing remapping weights between the spectral element atmosphere and finite volume discretizations on the polygonal ocean grids.

58 GEOSCIENCES↗

A quasi-static particle-in-cell algorithm based on an azimuthal Fourier decomposition for highly efficient simulations of plasma-based acceleration: QPAD

The three-dimensional (3D) quasi-static particle-in-cell (PIC) algorithm is a very efficient method for modeling short-pulse laser or relativistic charged particle beam–plasma interactions. In this algorithm, the plasma response, i.e., plasma wave wake, to a non-evolving laser or particle beam is calculated using a set of Maxwell’s equations based on the quasi-static approximate equations that exclude radiation. The plasma fields are then used to advance the laser or beam forward using a large time step. The algorithm is many orders of magnitude faster than a 3D fully explicit relativistic electromagnetic PIC algorithm. It has been shown to be capable to accurately model the evolution of lasers and particle beams in a variety of scenarios. Additionally, at the same time, an algorithm in which the fields, currents and Maxwell equations are decomposed into azimuthal harmonics has been shown to reduce the algorithmic complexity of a 3D explicit PIC algorithm to that of a 2D algorithm when the expansion is truncated while maintaining accuracy for problems with near azimuthal symmetry. This hybrid algorithm uses a PIC description in r–z and a gridless description in . We describe a novel method that combines the quasi-static and hybrid PIC methods. This algorithm expands the fields, charge and current density into azimuthal harmonics. A set of the quasi-static field equations is derived for each harmonic. The complex amplitudes of the fields are then solved using the finite difference method. The beam and plasma particles are advanced in Cartesian coordinates using the total fields. Details on how this algorithm was implemented using a similar workflow to an existing quasi-static code, QuickPIC, are presented. The new code is called QPAD for QuickPIC with Azimuthal Decomposition. Benchmarks and comparisons between a fully 3D explicit PIC code (OSIRIS), a full 3D quasi-static code (QuickPIC), and the new quasi-static PIC code with azimuthal decomposition (QPAD) are also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Description of a novel extremophile green algae, Chlamydomonas pacifica , and its potential as a biotechnology host

We present the comprehensive characterization of a newly identified microalga, Chlamydomonas pacifica , originally isolated from a soil sample in San Diego, CA, USA. This species showcases remarkable biological versatility, including a broad pH range tolerance (6–11.5), high thermal tolerance (up to 42 °C), and salinity resilience (up to 2 % NaCl). Its amenability to genetic manipulation and sexual reproduction via mating, particularly between the two opposing strains CC-5697 & CC-5699, now publicly available through the Chlamydomonas Resource Center, underscores its potential as a biotechnological chassis. The biological assessment of C. pacifica revealed versatile metabolic capabilities, including diverse nitrogen assimilation capability, motility and phototaxis. Genomic and transcriptomic analyses identified 17,829 genes within a 121 Mb genome, featuring a GC content of 61 %. The codon usage of C. pacifica closely mirrors that of C. reinhardtii , indicating a conserved genetic architecture that supports a trend in codon preference with minor variations. Phylogenetic analyses position C. pacifica within the core-Reinhardtinia clade yet distinct from known Volvocales species. The lipidomic data revealed an abundance of triacylglycerols (TAGs), promising for biofuel applications and lipids for health-related benefits. Our investigation lays the groundwork for exploiting C. pacifica in biotechnological applications, from biofuel generation to synthesizing biodegradable plastics, positioning it as a versatile host for future bioengineering endeavors.

Alkali tolerant↗

Simulink Modeling and Dynamic Study of Fixed-Speed, Variable-Speed, and Ternary Pumped Storage Hydropower

Pumped Storage Hydropower (PSH) is one of the most popular energy storage technologies in the world. It uses an upper reservoir to store water which can be later used during high-demand. In the United States, most of the energy storage capability actually corresponds to PSH. Moreover, PSH also brings multiple benefits to grid operation. This report presents the Simulink models of three common PSH technologies: Fixed-Speed (FS), Variable-Speed (VS), and Ternary (T)-PSH. These models are available to the general public on this GitHub repository, which contains the MATLAB model initialization files, the Simulink model files, and supplementary MATLAB code used to obtain the figures in this work. For each PSH model, an introductory description of the model components and other relevant functionalities are provided. For further information regarding the models and the initialization parameters, the reader is referred to the shared files in the repository. This report also presents the dynamic behavior of each model. The response of such models to a load event is analyzed and matched with each model's features. A custom IEEE 39 bus case is employed for the FS and T-PSH simulations, while the VS-PSH is simulated on a simplified three-bus test system due to the computational complexity of the model. For the T-PSH, the steady-state and the switching between several operating modes are also studied in this work.

13 HYDRO ENERGY↗

GAHLS: an optimized graph analytics based high level synthesis framework

The urgent need for low latency, high-compute and low power on-board intelligence in autonomous systems, cyber-physical systems, robotics, edge computing, evolvable computing, and complex data science calls for determining the optimal amount and type of specialized hardware together with reconfigurability capabilities. With these goals in mind, we propose a novel comprehensive graph analytics based high level synthesis (GAHLS) framework that efficiently analyzes complex high level programs through a combined compiler-based approach and graph theoretic optimization and synthesizes them into message passing domain-specific accelerators. This GAHLS framework first constructs a compiler-assisted dependency graph (CaDG) from low level virtual machine (LLVM) intermediate representation (IR) of high level programs and converts it into a hardware friendly description representation. Next, the GAHLS framework performs a memory design space exploration while account for the identified computational properties from the CaDG and optimizing the system performance for higher bandwidth. The GAHLS framework also performs a robust optimization to identify the CaDG subgraphs with similar computational structures and aggregate them into intelligent processing clusters in order to optimize the usage of underlying hardware resources. Finally, the GAHLS framework synthesizes this compressed specialized CaDG into processing elements while optimizing the system performance and area metrics. Evaluations of the GAHLS framework on several real-life applications (e.g., deep learning, brain machine interfaces) demonstrate that it provides 14.27× performance improvements compared to state-of-the-art approaches such as LegUp 6.2.

97 MATHEMATICS AND COMPUTING↗

A Decision Support Tool for Planning Neighborhood-Scale Deployment of Low-Speed Shared Automated Shuttles

Increasing interest and investment in connected, automated, and electric vehicles, and mobility-as-a-service concepts are paving the way for the next major shift in transportation through automated and shared mobility. The initial excitement towards rapid deployment and adoption of automated vehicles has subsided, and low-speed automated shuttles are emerging as a more pragmatic pathway for introducing automated mobility in geo-fenced districts. Such shuttles hold the promise to provide a viable alternative for serving short trips in urban districts with high travel densities. As interest in low-speed automated shuttle systems (to improve urban mobility) increases, the need for tools that can inform communities regarding benefits or dis-benefits of automated shuttle deployments is imminent. However, most of the existing transportation planning and simulation tools are not capable of handling emerging shared automated mobility options. This presentation presents a microscopic simulation toolkit that can be used by cities and communities to plan for the deployment of low-speed automated shuttles systems, as well as other shared mobility options. Labeled as the Automated Mobility District (AMD) modeling and simulation toolkit, the proposed decision support tool can help cities evaluate the mobility and sustainability impacts of deploying shared automated vehicles in geofenced regions. This paper presents a description of the toolkit, as well as a sample scenario analysis for the deployment of low-speed automated shuttles in Greenville, South Carolina. Results from the scenario study demonstrate the effectiveness of the proposed simulation toolkit in planning for advanced mobility systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Material Property Determinations for Rock Valley Legacy Samples in Support of Source Physics Experiment

The Source Physics Experiment (SPE) is a long-term NNSA research and development effort designed to improve nonproliferation verification and monitoring capabilities. The overarching goals of the SPE program are to improve understanding of prompt signals and physical signatures that develop from underground chemical explosions and associated modeling capabilities. Our work focuses on a primary factor controlling chemical explosion induced signals and signatures: the material properties of the rocks in which the chemical explosion takes place. This document reports on material property determinations of legacy core USGS Test Well F and outcrop analogs for the subsurface stratigraphy for the third phase of SPE in the Rock Valley (RV) area of the Nevada National Security Site (NNSS). The objective of this work is to establish a baseline set of lithologic descriptions and material properties expected prior to observatory borehole drilling in support of the SPE-RVDC (Rock Valley Direct Comparison) experiment. We determine for each rock type the compressional failure envelope, elastic properties as a function of stress (bulk modulus versus mean stress, shear modulus versus shear stress, Young’s modulus versus axial stress and Poisson’s ratio versus axial stress), indirect tensile strength, and porosity. Geologic characterization, both at the core-scale and microscale, provides context for using the data in modeling efforts and to inform interpretations for the material properties testing.

36 MATERIALS SCIENCE↗

RECORD FAST CYCLING ACCELERATOR MAGNET BASED ON HIGH TEMPERATURE SUPERCONDUCTOR

We report on the High Temperature Superconductor (HTS) based prototype accelerator magnet capable to operate at 12 T/s B-field ramping rate with a very low supporting cryogenic cooling power thus indicating a feasibility of its application in the accelerator requiring high repetition rate and high average beam power. The magnet is designed to simultaneously accelerate two particle beams in the separate beam gaps energized by a single conductor. The design, construction and the power test of the prototype fast-cycling HTS based accelerator magnet is presented while the more detailed description and power test data analysis s given in [1]. As example, the measured cryogenic power loss limit is discussed in terms of the feasibility of application of such a magnet for the construction of the 8 GeV dual proton beam Booster.

43 PARTICLE ACCELERATORS↗

Nanocarrier-loaded block copolymer dual domain organogels

Loaded polymer gels are prevalent materials in the controlled release community and, fairly recently, have been formulated to include nanocarrier domains such as micelles and vesicles. One mechanism used to establish the solid-like characteristic of gels is block copolymer self-assembly, which can result in a system-spanning, physically-crosslinked network. Additionally, the combination of nanocarrier and crosslink domain presence offers gels with a rich nanoscale phase space capable of intricate macroscopic property tuning. The current manuscript provides an overview of nanocarrier-loaded block copolymer organogels wherein nanocarriers are reverse micelles formed by sodium dioctyl sulfosuccinate (AOT), the block copolymer is a styrenic ABA triblock copolymer, and the gel solvent is aliphatic mineral oil. This introductory overview starts by identifying the envelope in ternary phase space wherein nanocarrier-loaded block copolymer organogels form (2-49 wt% triblock copolymer and 8x10 -3 -1 wt% AOT). Next, a detailed nanostructural description of gels varying in AOT and triblock copolymer concentration is presented. The manuscript concludes with demonstration of AOT reverse micelle release and gel uniaxial tensile response for gels containing 0-1 wt% AOT and 5-40 wt% styrenic triblock copolymer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Continued Validation Studies using the MOOSE Framework for Plasma Simulation with Electromagnetics

Resources and tools for the modeling and simulation of low-temperature plasma (LTP) discharges are increasingly vital to progress in the field in order to properly characterize and study complex source designs and plasma chemistries beyond the scope of traditional diagnostics. Open-source software provides powerful platforms for this work and can enable community-driven LTP R&D. Within the Multiphysics Object-Oriented Simulation Environment (MOOSE) open-source framework [1], capabilities have been demonstrated in the areas of plasma fluids (Zapdos [2]), plasma chemistry (CRANE [3]), and general electromagnetic wave theory (Electromagnetic Library for Kinetics & fluids [ELK] [4]). ELK has since been coupled to Zapdos/CRANE to enable fully coupled electromagnetic plasma simulations. This talk will detail the continued validation efforts and discuss Zapdos-ELK-CRANE code coupling with various-low temperature plasma sources. The impact of fully coupled electromagnetics on process parameters (e.g., temperature and electron/ion energy) versus an electrostatic description will also be discussed. [1] Permann et al., SoftwareX, 11 (2020) 100430. [2] Lindsay et al., J. Phys. D: Appl. Phys. 49 (2016) 235204. [3] Keniley et al., Talk, GEC Session DT3.00002 (2019). [4] Icenhour et al., Talk, GEC Session RR1.00006 (2019). Acknowledgements: INL Graduate Fellowship Program, NSF SI2 Grant 1740300, U.S. Dept. of Energy Office of Science Graduate Student Research Program

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Differentiable Simulation of a Liquid Argon Time Projection Chamber

Liquid argon time projection chambers (LArTPCs) are widely used in particle detection for their tracking and calorimetric capabilities. The particle physics community actively builds and improves high-quality simulators for such detectors in order to develop physics analyses in a realistic setting. The ability of these simulators to mimic real, measured data is limited by the modeling of the physical detectors used for data collection. This modeling can be improved by performing dedicated calibration measurements. Conventional approaches calibrate individual detector parameters or processes one at a time. However, the impact of detector processes is entangled, making this a poor description of the underlying physics. We introduce a differentiable simulator that enables a gradient-based optimization, allowing for the first time a simultaneous calibration of all detector parameters. We describe the procedure of making a differentiable simulator, highlighting the challenges of retaining the physics quality of the standard, non-differentiable version while providing meaningful gradient information. We further discuss the advantages and drawbacks of using our differentiable simulator for calibration. Finally, we provide a starting point for extensions to our approach, including applications of the differentiable simulator to physics analysis pipelines.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Hyperdimensional computing for image classification (HDC) v1.0

This is an implementation of the hyperdimensional computing technique to classify images. It consists of a python script that trains the system for a set of images from a set of images (dataset) specified by the user. This training produces hardware configuration parameters and description vectors that are then loaded into the hardware description part of the project. The hardware description consists of hardware described in Verilog (a well known language for this purpose) that is synthesizable and can be implemented in a real chip. This hardware received the training information generated by python, and then is able to accept images to produce answers for each image on which category (class) from the pre-=trained ones the image belongs to. The hardware and python training scripts are configurable and documented. The advantage of hyperdimensional computing is its robustness to errors and the easy capability for online learning (refining the training during inference slowly over time), which this implementation supports.

Michelogiannakis, Georgios [Lawrence Berkeley Nati↗

Frequency and Time Domain Nuclear-Electronic Orbital Equation-of-Motion Coupled Cluster Methods: Combination Bands and Electronic-Protonic Double Excitations

The accurate description of excited vibronic states is important for modeling a wide range of photoinduced processes. The nuclear-electronic orbital (NEO) approach, which treats specified protons on the same level as the electrons, can describe excited electronic-protonic states. Herein the multicomponent equation-of-motion coupled cluster with singles and doubles (NEO-EOM-CCSD) method and its time-domain counterpart, TD-NEO-EOM-CCSD, are developed and implemented. The application of these methods to the HCN molecule highlights their capabilities. These methods predict qualitatively reasonable energies and intensities for a combination band corresponding to simultaneous excitation of two vibrational modes, as well as an overtone. These methods also describe states with double excitation character, such as excited electronic-protonic states corresponding to the simultaneous excitation of an electron and a proton. The ability of the NEO-EOM-CCSD method and its time-dependent counterpart to describe combination bands, overtones, and double excitations will enable a wide range of photochemical applications.

Pavosevic, Fabijan↗

ITS Version 6.7: The Integrated TIGER Series of Coupled Electron/Photon Monte Carlo Transport Codes User's Manual

ITS is a powerful software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the make system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 6, the latest version of ITS, contains (1) improvements to the ITS 5.0 codes, and (2) conversion to Fortran 95. The general user friendliness of the software has been enhanced through memory allocation to reduce the need for users to modify and recompile the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Unlocking load growth at the grid edge: Practices for managing, recovering, and allocating distribution system investments

Utilities and utility regulators are preparing to make significant investments in the electricity distribution system driven by expected load growth in coming years and decades. Regulators will be tasked with vetting investment proposals and implementing cost recovery and allocation mechanisms. In particular, state regulators are anticipating the need to make proactive distribution system investments, building the capability to serve new load in advance of demand. This report focuses on load growth from homes and businesses that adopt electric vehicles and heat pump heating technologies. Through a review of legislation and regulatory dockets in a subset of states, we provide insights into emerging utility and regulatory practices to recover and allocate costs of electrification-driven distribution system investments necessary to accommodate these technologies. Our review focused on utility electrification programs, line extension policies, and proactive investments. Our report is largely descriptive, offering detailed information about approaches different state commissions and utilities have implemented to inform future decision-making.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Marginal Soils Index Analysis & Geospatial Data

This data package contains output files associated with Mongird et al. (in prep) organized into four dataset directories. Each dataset is described in more detail below. 1. Marginal Soils Index Analysis Description: This folder contains a csv file with land needs and availability by state, power generating technology type, and scenario in 2050 when suitable siting areas are additionally constrained to areas with increasing levels of soil marginality. Files: msi_constrained_siting_availability_2050.csv Variables: Scenario - Projected 2050 scenario name State - US state abbreviation Technology - Generating technology type solar = solar photovoltaic gas_cc_re = natural gas combined cycle (recirculating cooling) wind = onshore wind gas_cc_ccs_re = natural gas combined cycle with carbon capture sequestration (recirculating cooling) gas_cc_dry = natural gas combined cycle with (dry cooling) gas_cc_pond = natural gas combined cycle with (pond cooling) coal_conv_ccs_re = conventional coal with carbon capture sequestration (recirculating cooling) Req_Capacity_MW - The amount of rated capacity required in 2050 of the given technology type in the given state and under the given scenario from the capacity expansion plan Req_Capacity_Factor - The assumed capacity factor (fraction between 0 and 1) for the given technology type in the given state and under the given scenario by the capacity expansion plan Req_Land_km2 - The amount of land required (in km-squared) to host the required generating capacity that is capable of meeting the specified capacity factor for the given technology type in the given state and under the given scenario Req_Energy_TWh - Product of Req_Capacity_MW, Req_Capacity_Factor, and 8760/1e6 for the given technology type in the given state and under the given scenario MSI_Case - The level of MSI that siting the given technology is additionally constrained to, where >0 means siting is additionally constrained to suitable land areas that have an MSI value greater than 0 >=1 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 1 >=2 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 2 >=3 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 3 Soil Attribute Rasters Description: This folder contains geospatial raster files for individual soil parameters upscaled to the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of non-missing 30m resolution values. All raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. Files: avg_cond_raster_ .tif - Average conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm max_cond_raster_ .tif - Maximum conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm min_ph_raster_ .tif- Min pH values across all soil horizons within a depth of 40 inches. avg_ph_raster_ .tif - Average pH value across all soil horizons within a depth of 40 inches. max_ph_raster_ .tif- Max pH value across all soil horizons within a depth of 40 inches. erosion_factor_raster_ .tif - Product of k-factor and percent slope flood_freq_raster_ .tif - Number of months of the year during which the area is commonly, frequently, or very frequently flooded. max_sar_raster_ .tif - Maximum sodium adsorption ratio across all horizons within a depth of 40 inches rock_frac_raster_ .tif - Fraction of the upper 6 inches of soil composed of rock fragments larger than 3 inches. temp_regime_raster_ .tif - Soil temperature regime with the following key: 0 = pergelic 1 = gelic 2 = cryic 3 = frigid 4 = isofrigid 5 = mesic 6 = isomesic 7 = thermic 8 = isothermic 9 = hyperthermic 10 =isohyperthermic Marginal Soils Index Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index at the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of 30m resolution. Both raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. A value of 0 indicates that there were no soil attributes present that indicate marginal soil. NA values indicate that data was unavailable or bodies of water. Files: marginal_soils_index_30m_raster.tif marginal_soils_index_1km_raster.tif Marginal Soils Index Resource Potential Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index + Resource Potential (MSI+RP) score at 1km resolution for geothermal, solar, and wind technologies. Raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. NA values indicate that the location is not suitable for siting the given technology due to policy, environmental, socioeconomic, topological, and other constraints regardless of soil marginality level. Areas with values greater than or equal to zero represent the product of the normalized MSI value and the normalized resource potential value. Files: geothermal_msi_ep_score_raster.tif solar_msi_ep_score_raster.tif wind_msi_ep_score_raster.tif Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Agriculture↗

Marginal Soils Index Analysis & Geospatial Data

This data package contains output files associated with the Mongird et al. paper entitled "Can US power grid expansion avoid prime agricultural lands?" and is organized into four dataset directories. Each dataset is described in more detail below. 1. Marginal Soils Index Analysis Description: This folder contains a csv file with land needs and availability by state, power generating technology type, and scenario in 2050 when suitable siting areas are additionally constrained to areas with increasing levels of soil marginality. Files: msi_constrained_siting_availability_2050.csv Variables: Scenario - Projected 2050 scenario name State - US state abbreviation Technology - Generating technology type solar = solar photovoltaic gas_cc_re = natural gas combined cycle (recirculating cooling) wind = onshore wind gas_cc_ccs_re = natural gas combined cycle with carbon capture sequestration (recirculating cooling) gas_cc_dry = natural gas combined cycle with (dry cooling) gas_cc_pond = natural gas combined cycle with (pond cooling) coal_conv_ccs_re = conventional coal with carbon capture sequestration (recirculating cooling) Req_Capacity_MW - The amount of rated capacity required in 2050 of the given technology type in the given state and under the given scenario from the capacity expansion plan Req_Capacity_Factor - The assumed capacity factor (fraction between 0 and 1) for the given technology type in the given state and under the given scenario by the capacity expansion plan Req_Land_km2 - The amount of land required (in km-squared) to host the required generating capacity that is capable of meeting the specified capacity factor for the given technology type in the given state and under the given scenario Req_Energy_TWh - Product of Req_Capacity_MW, Req_Capacity_Factor, and 8760/1e6 for the given technology type in the given state and under the given scenario MSI_Case - The level of MSI that siting the given technology is additionally constrained to, where >0 means siting is additionally constrained to suitable land areas that have an MSI value greater than 0 >=1 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 1 >=2 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 2 >=3 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 3 Soil Attribute Rasters Description: This folder contains geospatial raster files for individual soil parameters upscaled to the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of non-missing 30m resolution values. All raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. Files: avg_cond_raster_ .tif - Average conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm max_cond_raster_ .tif - Maximum conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm min_ph_raster_ .tif- Min pH values across all soil horizons within a depth of 40 inches. avg_ph_raster_ .tif - Average pH value across all soil horizons within a depth of 40 inches. max_ph_raster_ .tif- Max pH value across all soil horizons within a depth of 40 inches. erosion_factor_raster_ .tif - Product of k-factor and percent slope flood_freq_raster_ .tif - Number of months of the year during which the area is commonly, frequently, or very frequently flooded. max_sar_raster_ .tif - Maximum sodium adsorption ratio across all horizons within a depth of 40 inches rock_frac_raster_ .tif - Fraction of the upper 6 inches of soil composed of rock fragments larger than 3 inches. temp_regime_raster_ .tif - Soil temperature regime with the following key: 0 = pergelic 1 = gelic 2 = cryic 3 = frigid 4 = isofrigid 5 = mesic 6 = isomesic 7 = thermic 8 = isothermic 9 = hyperthermic 10 =isohyperthermic Marginal Soils Index Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index at the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of 30m resolution. Both raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. A value of 0 indicates that there were no soil attributes present that indicate marginal soil. NA values indicate that data was unavailable or bodies of water. Files: marginal_soils_index_30m_raster.tif marginal_soils_index_1km_raster.tif Marginal Soils Index Resource Potential Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index + Resource Potential (MSIxRP) score at 1km resolution for geothermal, solar, and wind technologies. Raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. NA values indicate that the location is not suitable for siting the given technology due to policy, environmental, socioeconomic, topological, and other constraints regardless of soil marginality level. Areas with values greater than or equal to zero represent the product of the normalized MSI value and the normalized resource potential value. Files: geothermal_msi_rp_score_raster.tif solar_msi_rp_score_raster.tif wind_msi_rp_score_raster.tif Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Agriculture↗

A Computationally Efficient Algorithm for Computing Convex Hull Prices

Electricity markets worldwide allow participants to bid non-convex production offers. While non-convex offers can more accurately reflect a resource's capabilities, they create challenges for market clearing processes. For example, system operators may execute side payments when a participant’s cost is not covered through energy sale settlements from locational marginal pricing schemes, or when a participant incurs lost opportunity costs to follow the dispatch signal. Convex hull pricing minimizes these and other types of side payments while providing uniform (i.e., locationally and temporally consistent) prices. However, computing convex hull prices involves solving either a large-scale linear program - which in turn requires explicit descriptions of market participants’ convex hulls -or the Lagrangian dual of the corresponding non-convex scheduling problem. Here, we propose a computationally feasible and industrially scalable Benders decomposition approach to computing convex hull prices at least an order of magnitude faster than the current state-of-the-art while leveraging recent advances in convex hull formulations for thermal generating units.

61 RADIATION PROTECTION AND DOSIMETRY↗