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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A tunable dielectric resonator for axion searches at 11 GHz

In the context of axion search with haloscopes, tunable cavity resonators with high quality factor and high effective volume at frequencies above about 8 GHz are central for probing the axion-photon coupling with the required sensitivity to reach the QCD axion models. Higher order modes in dielectrically-loaded cavities allow for higher effective volumes and larger quality factors compared to basic cylindrical cavities, but a proper cavity frequency tuning mechanism to probe broad axion mass ranges is yet not available. In this work, we report about the design and construction of a tunable prototype of a single-shell dielectric resonator with its axion-sensitive pseudo-TM$_{030}$ high-order mode at about 11 GHz frequency. A clamshell tuning method previously tested for empty cylindrical resonators has been perfected for this geometry through simulations and in situ tests conducted at cryogenic temperature. Tuning is accomplished in a range of about 2 $\%$ the central frequency, without significantly impacting the quality factor of about 175000. The experimental results presented in this work demonstrate the tunability of this type of resonator, definitely confirming its applicability to high frequency axion searches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Long time scale multiphysics simulation of spent nuclear fuel canister in MOOSE

Pebble-bed reactors are an important class of advanced reactors under consideration for various applications where their fuel would give a significant advantage in siting and high-quality heat production. However, the disposal of their fuel is not as thoroughly studied as other fuel forms. In this study, pebble fuel is analysed in a well known spent fuel canister design to characterize the behavior of this fuel form over a long time scale. The results indicate that after approximately 100 years, decay heat is significantly reduced and the maximum temperature in the canister equalizes with the external temperature. The simulation goes on to an end time of a million years, demonstrating the capability of dealing with long time scales efficiently. We conclude that the canister temperatures seem manageable even with very aggressive loading times and while there are several improvements to be implemented in the future, MOOSE is technically capable of simulating the required scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Product Consistency Test Results for the HFG1 Glasses

The U.S. Department of Energy (DOE) is responsible for building the Hanford Tank Waste Treatment and Immobilization Plant (WTP) at the Hanford site in Washington to remediate 55 million gallons of radioactive waste that is temporarily stored in 177 underground tanks. The Office of River Protection (ORP) has requested that the Savannah River National Laboratory (SRNL) contribute in areas of recognized capabilities and expertise for glass waste form development to support successful startup of the WTP. As part of this effort, the Pacific Northwest National Laboratory (PNNL) is developing, batching, and fabricating simulated high-level waste (HLW) glasses to generate the associated property data needed to validate or identify areas of potential characterization improvement in the current glass property/composition models. Currently, the models cover only a small fraction of the waste compositions projected in the Hanford tank farm; therefore, the models must be expanded to include high fluoride compositions to successfully complete the WTP mission. SRNL support of this work is defined in the Task Technical and Quality Assurance Plan (TTQAP). This report provides the results of the Product Consistency Test (PCT) leachates from the High Fluoride Glasses-1 (HFG1), a series of simulated nuclear waste glasses fabricated at PNNL. The series included quenched (Q) and canister-centerline cooled (CCC) versions of the glasses. The glasses were selected as part of a broader study of the influence of glass composition on chemical durability, sulfur retention, and other properties. These data will be used to validate or identify areas of potential characterization improvements in the current glass property/composition models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Simulating Energy and Security Interactions in Semiconductor Manufacturing: Insights from the Intel Minifab Model

Semiconductor manufacturing is a highly complex. Fabrication plants must deal with re-entrant flows to support multiple types of wafers being produced simultaneously, each with their own deadlines and specifications. The manufacturing process itself depends upon the ability to control and programmatically adjust a variety of environmental conditions including temperature, humidity, and air quality. In addition, wafer fabrication consumes large amounts of electricity. Emerging technologies may help reduce the energy footprint of such facilities but can introduce cybersecurity risks. Therefore, this paper presents a modeling and simulation framework to quantify tradeoffs between operational measures of performance, energy consumption, and cybersecurity controls. We augment the Intel Minifab model, with the Purdue Enterprise Reference Architecture (PERA) for cybersecurity as well as tool-level energy consumption data from a real-world semiconductor manufacturing testbed. In this manner, we intend to provide stakeholders with a systematic, data-driven approach to evaluate emerging risks within the manufacturing process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

BEPAM code and results for the publication 'Supplementing Biofuel Mandates with a Carbon Mitigation Policy Can Lead to Water Quality Co-benefits'

The dataset consists of: (1) The replication codes and data for the BEPAM model are contained in the "BEPAM_Supplementary Environment Policy Analysis.zip" (2) Simulation results from the BEPAM model are contained in "ModelOutputs.zip" under the "BEPAM_Supplementary Environment Policy Analysis.zip"

Fan, Xinxin [Center for Advanced Bioenergy and Bio↗
DOE OSTI2023

MOOSE: A Modular Platform for Fission and Fusion Multiphysics

The Multiphysics Object-Oriented Simulation Environment (MOOSE) Framework, as well as MOOSE-based simulation tools, have accelerated the development of fission energy and advanced reactor technologies through the United States Department of Energy, Office of Nuclear Science, Nuclear Energy Advanced Modeling & Simulation (NEAMS) Program. MOOSE contains a complete platform of multiphysics simulation capabilities, capable of running on massively parallel systems, and is developed in an open-source manner with great attention paid to high-quality software quality assurance practices. This overall approach could greatly benefit the fusion energy community, which requires rapid design iteration and improvement in order to facilitate the successful development of fusion as an alternative energy source to fossil fuels. In the first half of this talk, applications of MOOSE and MOOSE-based tools for advanced reactor designs will be showcased, as well as MOOSE ecosystem infrastructure (such as the NEAMS Virtual Test Bed) that enables and accelerates fission reactor design. In the second half, a discussion of how the MOOSE approach to modeling and simulation is currently being applied internationally in fusion energy research and development at the United Kingdom Atomic Energy Authority will be discussed, and ongoing/future domestic research efforts will be highlighted.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Metal-to-Ligand Charge-Transfer Spectrum of a Ru-Bipyridine-Sensitized TiO 2 Cluster from Embedded Multiconfigurational Excited-State Theory

Understanding optical properties of the dye molecule in dye-sensitized solar cells (DSSCs) from first-principles quantum mechanics can contribute to improving the efficiency of such devices. While density functional theory (DFT) and time-dependent DFT have been pivotal in simulating optoelectronic properties of photoanodes used in DSSCs at the atomic scale, questions remain regarding DFT’s adequacy and accuracy to furnish critical information needed to understand the various excited-state processes involved. In this work, we simulate the absorption spectra of a dye-sensitized solar cell analogue, comprised of a Ru-bipyridine (Ru-bpy) dye molecule and a small TiO2 cluster via DFT and via an accurate embedded correlated wavefunction (CW) theory. We generated CW spectra for the adsorbed Ru-bpy dye via a recently introduced capped density functional embedding theory or capped-DFET (to generate the embedding potential that accounts for the interaction of the molecule and the TiO 2 cluster). We then combined capped-DFET with the accurate but expensive multiconfigurational complete active space second-order perturbation theory (CASPT2)—embedded CASPT2. Because the CW theory is conducted on only a portion of the total system in the presence of an embedding potential that describes that portion’s interaction with its environment, we efficiently obtain CW-quality predictions that reflect local properties of the entire system. Specifically, for example, with capped-DFET and embedded CW theory, we can simulate accurately a plethora of metal-to-ligand charge-transfer excited properties at a manageable computational cost. Here, we predict detailed electronic spectra within the visible region, featuring the lowest three singlet and triplet excited states, along with predictions of the singlets’ lifetimes. We illustrated these results using a Jablonski diagram that show the relative energy position of the singlet and longer-lived triplet excited states and analyzed and proposed relaxation paths for the excited state corresponding to the most intense but short-lived absorption (interconversion, intersystem crossing, fluorescence, and phosphorescence) that may lead to longer-lived excited states necessary for efficient charge separation required to generate current in solar cells.

14 SOLAR ENERGY↗
DOE OSTI2023

SAM Software Quality Assurance Plan Implementation and NQA-1 Assessment

The System Analysis Module (SAM) is an advanced and modern system analysis tool being developed at Argonne National Laboratory under the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. As a modern-day software, SAM development included efforts to follow best practices in software development. These best practices include version control using git, independent reviews of development activities, and detailed descriptions of developments and bug fixes using the GitLab issue and merge request system. In Fiscal Year 2023 (FY23), the SAM development team set out to formalize a Software Quality Assurance (SQA) program that allowed industry partners to credit the informal steps being taken by the SAM development team to ensure the quality of the software. As part of formalizing an SQA program, a SQA Plan (SQAP) was developed, implemented, and assessed. The SAM SQAP targets compliance with NQA-1-2008/2009 Addenda. The SQAP builds on the MOOSE SQAP and the Argonne SSQAPP while accounting for the needs of the multi-organization SAM development team. Modifications to the SAM repository structure, including a new testing system, updated test cases, and the development of an internal website, facilitate the implementation of the SAM SQAP. The initial assessment of the SAM SQAP indicated that the SAM SQAP was adequately and effectively implemented and additional work was required to improve the compliance of the SAM SQAP with NQA-1 2008/2009 Addenda. Several improvements to the SQAP have already been drafted to address these assessments and future work is planned to further improve the SAM SQAP in support of end-user needs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

[Presentation] Long time scale Multiphysics simulation of spent nuclear fuel canister in MOOSE

Pebble-bed reactors are an important class of advanced reactors under consideration for various applications where their fuel would give a significant advantage in siting and high-quality heat production. However, the disposal of their fuel is not as thoroughly studied as other fuel forms. This article provides an example of evaluating advanced reactor spent nuclear fuel in MOOSE. In this study, pebble fuel is analyzed in a well-known spent fuel canister design to characterize the behavior of this fuel form over a long time scale. The results indicate that after approximately 100 years, decay heat is significantly reduced and the maximum temperature in the canister equalizes with the external temperature. The simulation goes on to an end time of one million years, demonstrating the capability of efficiently dealing with long time scales efficiently. We conclude that the canister temperatures seem manageable even with very aggressive loading times and while there are several improvements to be implemented in the future, MOOSE is currently capable of simulating the required scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Multilevel Graph Partitioning for Three-Dimensional Discrete Fracture Network Flow Simulations

We present a topology-based method for mesh-partitioning in three-dimensional discrete fracture network (DFN) simulations that takes advantage of the intrinsic multi-level nature of a DFN. DFN models are used to simulate flow and transport through low-permeability fractured media in the subsurface by explicitly representing fractures as discrete entities. The governing equations for flow and transport are numerically integrated on computational meshes generated on the interconnected fracture networks. Modern high-fidelity DFN simulations require high-performance computing on multiple processors where performance and scalability depends partially on obtaining a high-quality partition of the mesh to balance work-loads and minimize communication across all processors. The discrete structure of a DFN naturally lends itself to various graph representations, which can be thought of as coarse-scale representations of the computational mesh. Using this concept, we develop two applications of the multilevel graph partitioning algorithm to partition the mesh of a DFN. In the first, we project a partition of the graph based on the DFN topology onto the mesh of the DFN and in the second, this DFN-based projection is used as the initial condition for further partitioning refinement of the mesh. We compare the performance of these methods with standard multi-level graph partitioning using graph-based metrics (cut, imbalance, partitioning time), computational-based metrics (FLOPS, iterations, solver time), and total run time. The DFN-based and the mesh-based partitioning methods are comparable in terms of the graph-based metrics, but the time required to obtain the partition is several orders of magnitude faster using the DFN-based partitions. The computation-based metrics show comparable performance between both methods so, in combination, the DFN-based partitions are several orders of magnitude faster than the mesh-based partition. Furthermore, the method which uses the DFN-partition solution as the initial condition of the mesh partition provided cut and imbalance values that were close to the mesh-based partition but in a fraction of the time. In turn, this hybrid method outperformed both of the other methods in terms of the total run time.

58 GEOSCIENCES↗
DOE OSTI2024

Mechanism of Molecular Polariton Decoherence in the Collective Light–Matter Couplings Regime

Molecular polaritons, the hybridization of electronic states in molecules with photonic excitation inside a cavity, play an important role in fundamental quantum science and technology. Understanding the decoherence mechanism of molecular polaritons is among the most significant fundamental questions. We theoretically demonstrate that hybridizing many molecular excitons in a cavity protects the overall quantum coherence from phononinduced decoherence. The polariton coherence time can be prolonged up to 100 fs with a realistic collective Rabi splitting and quality factor at room temperature, compared to the typical electronic coherence time which is around 15 fs. Our numerically exact simulations and analytic theory suggest that the dominant decoherence mechanism is the population transfer from the upper polariton state to the dark state manifold. Increasing the collective coupling strength will increase the energy gap between these two sets of states and thus prolong the coherence lifetime. We further derived valuable scaling relations that directly indicate how polariton coherence depends on the number of molecules, Rabi splittings, and light–matter detunings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Thermal analysis of RHIC arc dipole magnet cold mass with EIC beam screen

The existing RHIC storage rings – including their superconducting magnet arcs – will be used for the hadron storage ring of the Electron-Ion Collider (EIC). The vacuum chamber of these magnets was not designed for the EIC hadron beams, with shorter bunches and of higher average current than the RHIC beams. With the current stainless steel beam pipe, the resistive-wall (RW) heating will exceed the dynamic heat load budget. Limiting the RW heating is important to prevent the superconducting magnets from quenching and to maintain a low screen temperature necessary to impede the rise of RW heating (higher resistance at higher temperature) as well as to achieve desired ultra-high vacuum. In addition, simulations predict the formation of electron cloud which would further contribute to the dynamic heat load and could compromise the quality and stability of the beam. To reduce the resistive-wall heating and suppress electron cloud, a beam screen will be installed in the vacuum chamber of the RHIC SC magnets. The screen will have a high RRR copper layer at its inner face – useful to reduce the resistive-wall impedance thanks to its high conductivity especially at cryogenic temperatures – and will be coated with a thin layer of amorphous carbon, a material with low secondary electron yield to suppress the formation of electron clouds. The baseline solution envisages a screen that will be cooled by thermal contact to the 4.55 K beam pipe. Detailed thermal analysis have been conducted in ANSYS 2020 for an arc dipole cold mass equipped with a beam screen in order to study the feasibility of a passively-cooled screen and guide its design. Temperature-dependent thermal conductivity properties of all materials in the operating (cryogenic) temperature range are considered. Suitable assumptions and simplifications are made to model the magnet coil and calculate its homogenized thermal conductivity. Sensitivity studies with respect to layer thicknesses and area of contact are carried out and results are presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Event Selection in the MicroBooNE Deep Learning Based Low Energy Excess Analysis Using Two-Body Scattering Criteria

The uniquely detailed neutrino event information from liquid argon time projection chambers allows reconstruction of a set of kinematic quantities that over-constrain the expectations for charged current quasielastic scattering (CCQE). MicroBooNE makes use of the CCQE consistency requirements in a deep-learning-based search for the MiniBooNE low energy excess analysis. This requirement rejects backgrounds as well as events with poorly reconstructed neutrino energy due to final state interactions of the outgoing proton. The results presented here demonstrate the quality of the selection of $\nu_e$ and $\nu_µ$ events. We show excellent agreement between the data and the simulation across many data sets. This positions us to be ready to unblind the MicroBooNE low energy excess analysis in the very near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Variational quantum solver employing the PDS energy functional

In our previous work (J. Chem. Phys. 2020, 153, 201102),we reported a new class of quantum algorithms that are based on the quantum computation of the connected moment expansion to find the ground and excited state energies. In particular, the Peeters-Devreese-Soldatov (PDS) formulation is found variational and bearing the potential for further combining with the existing variational quantum infrastructure. Following this direction, here we propose a variational quantum solver employing the PDS energy gradient. In comparison with the usual variational quantum eigensolver (VQE) and the original static PDS approach, the proposed variational quantum solver offers an effective approach to achieve high ac-curacy at finding the ground state and its energy through the rotation of the trial wave function of modest quality guided by the low order PDS energy gradients, thus improves the ac-curacy and efficiency of the quantum simulation. We demonstrate the performance of the proposed variational quantum solver for toy models, H2molecule, and strongly correlated planar H4system in some challenging situations. In all the case studies, the proposed variational quantum approach out-performs the usual VQE and static PDS calculations even at the lowest order.

Peng, Bo↗
DOE OSTI2023

Posiform planting: generating QUBO instances for benchmarking

We are interested in benchmarking both quantum annealing and classical algorithms for minimizing quadratic unconstrained binary optimization (QUBO) problems. Such problems are NP-hard in general, implying that the exact minima of randomly generated instances are hard to find and thus typically unknown. While brute forcing smaller instances is possible, such instances are typically not interesting due to being too easy for both quantum and classical algorithms. In this contribution, we propose a novel method, called posiform planting , for generating random QUBO instances of arbitrary size with known optimal solutions, and use those instances to benchmark the sampling quality of four D-Wave quantum annealers utilizing different interconnection structures (Chimera, Pegasus, and Zephyr hardware graphs) and the simulated annealing algorithm. Posiform planting differs from many existing methods in two key ways. It ensures the uniqueness of the planted optimal solution, thus avoiding groundstate degeneracy, and it enables the generation of QUBOs that are tailored to a given hardware connectivity structure, provided that the connectivity is not too sparse. Posiform planted QUBOs are a type of 2-SAT boolean satisfiability combinatorial optimization problems. Our experiments demonstrate the capability of the D-Wave quantum annealers to sample the optimal planted solution of combinatorial optimization problems with up to 5, 627 qubits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Policy Innovation and Governance for Irrigation Sustainability in the Arid, Saline San Joaquin River Basin

This paper provides a chronology and overview of events and policy initiatives aimed at addressing irrigation sustainability issues in the San Joaquin River Basin (SJRB) of California. Although the SJRB was selected in this case study, many of the same resource management issues are being played out in arid, agricultural regions around the world. The first part of this paper provides an introduction to some of the early issues impacting the expansion of irrigated agriculture primarily on the west side of the San Joaquin Valley and the policy and capital investments that were used to address salinity impairments to the use of the San Joaquin River (SJR) as an irrigation water supply. Irrigated agriculture requires large quantities of water if it is to be sustained, as well as supply water of adequate quality for the crop being grown. The second part of the paper addresses these supply issues and a period of excessive groundwater pumping that resulted in widespread land subsidence. A joint federal and state policy response that resulted in the facilities to import Delta water provided a remedy that lasted almost 50 years until the Sustainable Groundwater Management Act of 2014 was passed in the legislature to address a recurrence of the same issue. The paper describes the current state of basin-scale simulation modeling that many areas, including California, are using to craft a future sustainable groundwater resource management policy. The third section of the paper deals with unique water quality issues that arose in connection with the selenium crisis at Kesterson Reservoir and the significant threats to irrigation sustainability on the west side of the San Joaquin Valley that followed. The eventual policy response to this crisis was incremental, spanning two decades of University of California-led research programs focused on finding permanent solutions to the salt and selenium contamination problems constraining irrigated agriculture, primarily on the west side. Arid-zone agricultural drainage-induced water quality problems are becoming more ubiquitous worldwide. One policy approach that found traction in California is an innovative variant on the traditional Total Maximum Daily Load (TMDL) approach to salinity regulation, which has features in common with a scheme in Australia’s Hunter River Basin. The paper describes the real-time salinity management (RTSM) concept, which is geared to improving coordination of west side agricultural and wetland exports of salt load with east side tributary reservoir release flows to improve compliance with river salinity objectives. RTSM is a concept that requires access to continuous flow and electrical conductivity data from sensor networks located along the San Joaquin River and its major tributaries and a simulation model-based decision support designed to make salt load assimilative capacity forecasts. Web-based information dissemination and data sharing innovations are described with an emphasis on experience with stakeholder engagement and participation. The last decade has seen wide-scale, global deployment of similar technologies for enhancing irrigation agriculture productivity and protecting environmental resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Initial Development of Fusion Magnet Simulation Capabilities for Performance and Safety Evaluation Using the MOOSE Framework

Fusion energy holds the promise of being a transformative technology as a carbon-neutral, sustainable source of energy. Whole device modeling and the development of fusion digital twins will be increasingly important for emerging fusion device concepts at both national laboratories and within the commercial fusion industry. However, meeting the challenge of whole device modeling of fusion energy devices requires robust, multiphysics, multiscale modeling and simulation technologies capable of running on large-scale supercomputers. Detailed analysis of individual systems at-scale is also required to ensure safe and efficient operation as well as provide the safety basis for future device designs and licensing activities. In a tokamak, toroidal and poloidal magnets confine and shape the fusion plasma to promote the fusion reaction. High plasma temperatures and high magnetic field requirements in modern design concepts (leading to high amounts of energy stored within each magnet) impose electrical, thermal, and mechanical loads on the magnet components, which in turn impacts the safety considerations of the magnet and their supporting systems. Idaho National Laboratory (INL) has a history of working in this space, including development and benchmarking of the Magnetic System Circuitry Analysis Program (MSCAP) and Magnet Arcing (MAGARC) codes to study magnet quench events; notably, MAGARC was used to study quenching during the ITER Engineering Design Activity. However, these legacy codes and capabilities are not parallel and scalable, and new tools are required for future advances in this area, which leads to the INL-developed Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Developed originally for fission reactor systems under United States Department of Energy, Office of Nuclear Energy modeling and simulation programs, the MOOSE framework has been well-suited to multiscale, multiphysics modeling and simulation needs for nuclear systems. The framework is open-source, well-tested, under continuous development and deployment, and developed to a Nuclear Quality Assurance, Level 1 software quality standard. MOOSE has also been used in the fusion space previously in several projects: INL’s Tritium Migration Analysis Program, Version 8 (TMAP8) for tritium migration, UK Atomic Energy Authority’s A Unified Resource for OpenMC (fusion) Reactor Applications (AURORA) code for fusion thermo-mechanical and neutronics analysis, and Argonne National Laboratory’s Cardinal for high-fidelity computational fluid dynamics and neutronics. However, to model superconducting magnets, several MOOSE enhancements are required: additions to the current MOOSE electromagnetic capabilities, new material libraries for superconductors of interest (such as YBCO), as well as fusion-specific models for thermo-mechanics. This talk will discuss initial development activities to build these capabilities in MOOSE, focusing on initial validation and benchmarking activities. Proposed coupling workflows and future work to support the simulation of fusion magnets and magnet structural assemblies for performance and safety evaluation in MOOSE will also be discussed.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Interactive Gas Chemistry for Enhanced Science Capabilities of the Energy Exascale Earth System Model Version 3

Atmospheric chemistry plays a crucial role in Earth system models (ESMs), controlling atmospheric composition and radiative balance; it is highly interactive with the physical climate, biogeochemical cycles, and human systems. However, it often imposes computational challenges in an ESM. Here we develop a full troposphere‐stratosphere interactive chemistry module for the US Department of Energy's Energy Exascale Earth System Model (E3SM). We intentionally build a streamlined module based on E3SM version 2 that interacts with other components and maintains all of major chemical and chemistry‐climate feedbacks. The module incorporates a new, highly efficient tracer advection scheme; linearization of stratospheric chemistry; and abridged tropospheric chemical mechanism with 28 reactive tracers. This new model, E3SM‐chem, can readily perform century‐long climate simulations of ozone, methane, and nitrous oxide based on emission scenarios as well as provide hourly budgets for the gas‐phase radicals that drive aerosol chemistry. We evaluate E3SM‐chem with an atmosphere‐only simulation as in the recent climate model intercomparison project (CMIP6) finding results similar to the other CMIP6 models. For the present‐day, E3SM‐chem matches the standard measurement metrics for stratospheric and tropospheric ozone, surface air quality, other key reactive gases like carbon monoxide, and the methane lifetime. Overall, E3SM‐chem maintains the climate fidelity of the baseline model while adding at most 20% to the computational cost of the atmosphere model. Hence, interactive chemistry can be a default configuration for long climate simulations at resolutions of 1° or finer, which is crucial for producing self‐consistent chemistry‐climate feedbacks that alter the climate system.

54 ENVIRONMENTAL SCIENCES↗