搜索结果：Geoscientific model development

Community concerns about the potential health effects of energy development have grown in recent years. This project evaluated the links between unconventional oil and gas development (UOGD) and potential water contamination in Beaver, Greene, and Washington counties of southwestern Pennsylvania (SW PA). This region, with its long history of hydrocarbon development, including coal mining and conventional oil and gas development, has many overlapping sources of potential contamination. Additionally, it is one of the most active UOGD regions globally. As the study progressed, we extended many of our statistical investigations of groundwater in SW PA to the entire state. We used statistical analysis to isolate the influences of geogenic and anthropogenic processes on groundwater chemistry and to identify potential linkages between UOGD and water contamination using a groundwater chemistry dataset of over 7,000 samples in SW PA, each with approximately 40 reported chemical analytes. We primarily targeted contamination by salt species found in brines. We conducted six community focus groups in the tri-county region during the summers of 2022 and 2023, which helped identify areas of community concern and interpret our preliminary findings. The focus groups highlighted wastewater mismanagement as a key area of community concern, which we examined in our geoscience analysis. Where possible, we also extended our statistical analysis to the entire state (28,609 groundwater quality analyses) so we could assess the effect of different land uses and geology on water quality. Across the SW PA region, we observe small but statistically significant increases in barium (Ba) and strontium (Sr) in groundwater within 1 km of UOGD, with higher concentrations associated with greater proximity to and density of unconventional oil and gas (UOG) wells. Statistical inferences from the groundwater data point to spills of briny wastewaters on UOG well pads as the likeliest explanation for these increases. For example, Ba and Sr have an even stronger relationship with the locations of spill-related violations at UOG well pads. We found a statistically significant increase in salt concentrations near wastewater impoundments that are no longer in operation because of reprimands by the state regulator and environmental violations. These relationships persist even after better controlling for other geogenic and anthropogenic salt sources using a fixed-effects model. The information gathered from the focus groups suggests that communities are most concerned about potential radiation exposure from UOGD wastewater management, which may increase cancer risks. The geoscientific analysis does not reveal evidence across the region of increased concentrations of species associated with radiation risks in groundwater related to UOGD. This lack of evidence is partly because few groundwater analyses measure or detect radium, the biggest source of radiation in Pennsylvania groundwater. Our results suggest that the statistically significant increases in salts associated with UOGD are likely due to wastewater spills or leaks from impoundments rather than hydraulic fracturing itself. Our inference that wastewater spills and leaks from impoundments are the most likely mechanism related to increases in brine concentrations aligns with community concerns about wastewater management. This research, along with other previous or ongoing studies, documents that contamination is localized in areas we refer to as "hotspots." Therefore, although geospatial analysis shows extremely small regional increases in brine salt concentrations in groundwater near UOGD, we conclude these increases are due to numerous, well-distributed spill and leak incidents across the shale play, despite their localized impact. The increases in brine salt concentrations in groundwater samples were never observed to be above contamination levels that pose risks for human health according to US Environmental Protection Agency guidelines. However, in areas with dense UOGD, our analysis indicates that some toxic species could be of local concern, given dissolved species ratios and Cl levels in the wastewaters generated through oil and gas development (known as produced water) in Pennsylvania. This result is predicated on assumptions about the average species concentrations in produced waters, the spatial density of UOG wells, and the locations of hotspots. High ionic strength wastewater released into groundwater could also induce secondary mobilization of hazardous species like radium via cation exchange. To address public concerns, additional groundwater testing, especially for radium, should be conducted in identified hotspots, near problematic impoundments, or near spills.

The Community Multiscale Air Quality (CMAQ) model has been a vital tool for air quality research and management at the United States Environmental Protection Agency (US EPA) and at government environmental agencies and academic institutions worldwide. The CMAQ model requires a significant amount of disk space to store and archive input and output files. For example, an annual simulation over the contiguous United States (CONUS) with horizontal grid-cell spacing of 12 km requires 2-3 TB of input data and can produce anywhere from 7-45 TB of output data, depending on modeling configuration and desired post-processing of the output (e.g., for evaluations or graphics). After a simulation is complete, model data are archived for several years, or even decades, to ensure the replicability of conducted research. As a result, careful disk space management is essential to optimize resources and ensure the uninterrupted progress of ongoing research and applications requiring large-scale, air quality modeling. Proper disk-space management may include applying optimal data-compression techniques that are executed on input and output files for all CMAQ simulations. There are several (not limited to) such utilities that compress files using lossless compression, such as GNU Gzip (gzip) and Basic Leucine Zipper Domain (bzip2). A new approach is proposed in this study that reduces the precision of the emission input for air quality modeling to reduce storage requirements (after a lossless compression utility is applied) and accelerate runtime. The new approach is tested using CMAQ simulations and post-processed CMAQ output to examine the impact on the performance of the air quality model. In total, four simulations were conducted, and nine cases were post-processed from direct simulation output to determine disk-space efficiency, runtime efficiency, and model (predictive) accuracy. Three simulations were run with emission input containing only five, four, or three significant digits. To enhance the analysis of disk-space efficiency, the output from the altered precision emission CMAQ simulations were additionally post-processed to contain five, four, or three significant digits. The fourth, and final, simulation was run using the full precision emission files with no alteration. Thus, in total, 13 gridded products (4 simulations and 9 altered precision output cases) were analyzed in this study. Results demonstrate that the altered precision emission files reduced the disk-space footprint by 6 %, 25 %, and 48% compared to the unaltered emission files when using the bzip2 compression utility for files containing five, four, or three significant digits, respectively. Similarly, the altered output files reduced the required disk space by 19 %, 47 %, and 69% compared to the unaltered CMAQ output files when using the bzip2 compression utility for files containing five, four, or three significant digits, respectively. For both compressed datasets, bzip2 performed better than gzip, in terms of compression size, by 5 %-27 % for emission data and 15 %-28 % for CMAQ output for files containing five, four, or three significant digits. Additionally, CMAQ runtime was reduced by 2 %-7 % for simulations using emission files with reduced precision data in a non-dedicated environment. Finally, the model-estimated pollutant concentrations from the four simulations were compared to observed data from the US EPA Air Quality System (AQS) and the Ammonia Monitoring Network (AMoN). Model performance statistics were impacted negligibly. In summary, by reducing the precision of CMAQ emission data to five, four, or three significant digits, the simulation runtime in a non-dedicated environment was slightly reduced, disk-space usage was substantially reduced, and model accuracy remained relatively unchanged compared to the base CMAQ simulation, which suggests that the precision of the emission data could be reduced to more efficiently use computing resources while minimizing the impact on CMAQ simulations.

We present a new version of the Brazilian developments on the Regional Atmospheric Modeling System where different previous versions for weather, chemistry and carbon cycle were unified in a single integrated software system. The new version also has a new set of state-of-the-art physical parameterizations and greater computational parallel and memory usage efficiency. Together with the description of the main features are examples of the quality of the transport scheme for scalars, radiative fluxes on surface and model simulation of rainfall systems over South America in different spatial resolutions using a scale-aware convective parameterization. Besides, the simulation of the diurnal cycle of the convection and carbon dioxide concentration over the Amazon Basin, as well as carbon dioxide fluxes from biogenic processes over a large portion of South America are shown. Atmospheric chemistry examples present model performance in simulating near-surface carbon monoxide and ozone in Amazon Basin and Rio de Janeiro megacity. For tracer transport and dispersion, it is demonstrated the model capabilities to simulate the volcanic ash 3-d redistribution associated with the eruption of a Chilean volcano. Then, the gain of computational efficiency is described with some details. BRAMS has been applied for research and operational forecasting mainly in South America. Model results from the operational weather forecast of BRAMS on 5 km grid spacing in the Center for Weather Forecasting and Climate Studies, INPE/Brazil, since 2013 are used to quantify the model skill of near surface variables and rainfall. The scores show the reliability of BRAMS for the tropical and subtropical areas of South America. Requirements for keeping this modeling system competitive regarding on its functionalities and skills are discussed. At last, we highlight the relevant contribution of this work on the building up of a South American community of model developers.

United States (US) background ozone (O3) is the counterfactual O3 that would exist with zero US anthropogenic emissions. Estimates of US background O3 typically come from chemical transport models (CTMs), but different models vary in their estimates of both background and total O3. Here, a measurement-model data fusion approach is used to estimate CTM biases in US anthropogenic O3 and multiple US background O3 sources, including natural emissions, long-range international emissions, short-range international emissions from Canada and Mexico, and stratospheric O3. Spatially and temporally varying bias correction factors adjust each simulated O3 component so that the sum of the adjusted components evaluates better against observations compared to unadjusted estimates. The estimated correction factors suggest a seasonally consistent positive bias in US anthropogenic O3 in the eastern US, with the bias becoming higher with coarser model resolution and with higher simulated total O3, though the bias does not increase much with higher observed O3. Summer average US anthropogenic O3 in the eastern US was estimated to be biased high by 2, 7, and 11 ppb (11%, 32%, and 49%) for one set of simulations at 12, 36, and 108 km resolutions and 1 and 6 ppb (10% and 37%) for another set of simulations at 12 and 108 km resolutions. Correlation among different US background O3 components can increase the uncertainty in the estimation of the source-specific adjustment factors. Despite this, results indicate a negative bias in modeled estimates of the impact of stratospheric O3 at the surface, with a western US spring average bias of -3.5 ppb (-25%) estimated based on a stratospheric O3 tracer. This type of data fusion approach can be extended to include data from multiple models to leverage the strengths of different data sources while reducing uncertainty in the US background ozone estimates.

We propose a new ice sheet model validation framework - the Cryospheric Model Comparison Tool (CmCt) - that takes advantage of ice sheet altimetry and gravimetry observations collected over the past several decades and is applied here to modeling of the Greenland ice sheet. We use realistic simulations performed with the Community Ice Sheet Model (CISM) along with two idealized, non-dynamic models to demonstrate the framework and its use. Dynamic simulations with CISM are forced from 1991 to 2013 using combinations of reanalysis-based surface mass balance and observations of outlet glacier flux change. We propose and demonstrate qualitative and quantitative metrics for use in evaluating the different model simulations against the observations. We find that the altimetry observations used here are largely ambiguous in terms of their ability to distinguish one simulation from another. Based on basin- and whole-ice-sheet scale metrics, we find that simulations using both idealized conceptual models and dynamic, numerical models provide an equally reasonable representation of the ice sheet surface (mean elevation differences of <1 m). This is likely due to their short period of record, biases inherent to digital elevation models used for model initial conditions, and biases resulting from firn dynamics, which are not explicitly accounted for in the models or observations. On the other hand, we find that the gravimetry observations used here are able to unambiguously distinguish between simulations of varying complexity, and along with the CmCt, can provide a quantitative score for assessing a particular model and/or simulation. The new framework demonstrates that our proposed metrics can distinguish relatively better from relatively worse simulations and that dynamic ice sheet models, when appropriately initialized and forced with the right boundary conditions, demonstrate predictive skill with respect to observed dynamic changes occurring on Greenland over the past few decades. An extensible design will allow for continued use of the CmCt as future altimetry, gravimetry, and other remotely sensed data become available for use in ice sheet model validation.

The Community Multiscale Air Quality (CMAQ) model version 5.3 (CMAQ53), released to the public in August 2019 and followed by version 5.3.1 (CMAQ531) in December 2019, contains numerous science updates, enhanced functionality, and improved computation efficiency relative to the previous version of the model, 5.2.1 (CMAQ521). Major science advances in the new model include a new aerosol module (AERO7) with significant updates to secondary organic aerosol (SOA) chemistry, updated chlorine chemistry, updated detailed bromine and iodine chemistry, updated simple halogen chemistry, the addition of dimethyl sulfide (DMS) chemistry in the CB6r3 chemical mechanism, updated M3Dry bidirectional deposition model, and the new Surface Tiled Aerosol and Gaseous Exchange (STAGE) bidirectional deposition model. In addition, support for the Weather Research and Forecasting (WRF) model's hybrid vertical coordinate (HVC) was added to CMAQ53 and the Meteorology-Chemistry Interface Processor (MCIP) version 5.0 (MCIP50). Enhanced functionality in CMAQ53 includes the new Detailed Emissions Scaling, Isolation and Diagnostic (DESID) system for scaling incoming emissions to CMAQ and reading multiple gridded input emission files. Evaluation of CMAQ531 was performed by comparing monthly and seasonal mean daily 8 h average (MDA8) O3 and daily PM2.5 values from several CMAQ531 simulations to a similarly configured CMAQ521 simulation encompassing 2016. For MDA8 O3, CMAQ531 has higher O3 in the winter versus CMAQ521, due primarily to reduced dry deposition to snow, which strongly reduces wintertime O3 bias (2-4 ppbv monthly average). MDA8 O3 is lower with CMAQ531 throughout the rest of the year, particularly in spring, due in part to reduced O3 from the lateral boundary conditions (BCs), which generally increases MDA8 O3 bias in spring and fall ( 0.5 &#x3bc;g m-3). For daily 24 h average PM2.5, CMAQ531 has lower concentrations on average in spring and fall, higher concentrations in summer, and similar concentrations in winter to CMAQ521, which slightly increases bias in spring and fall and reduces bias in summer. Comparisons were also performed to isolate updates to several specific aspects of the modeling system, namely the lateral BCs, meteorology model version, and the deposition model used. Transitioning from a hemispheric CMAQ (HCMAQ) version 5.2.1 simulation to a HCMAQ version 5.3 simulation to provide lateral BCs contributes to higher O3 mixing ratios in the regional CMAQ simulation in higher latitudes during winter (due to the decreased O3 dry deposition to snow in CMAQ53) and lower O3 mixing ratios in middle and lower latitudes year-round (due to reduced O3 over the ocean with CMAQ53). Transitioning from WRF version 3.8 to WRF version 4.1.1 with the HVC resulted in consistently higher (1.0-1.5 ppbv) MDA8 O3 mixing ratios and higher PM2.5 concentrations (0.1-0.25 &#x3bc;g m-3) throughout the year. Finally, comparisons of the M3Dry and STAGE deposition models showed that MDA8 O3 is generally higher with M3Dry outside of summer, while PM2.5 is consistently higher with STAGE due to differences in the assumptions of particle deposition velocities to non-vegetated surfaces and land use with short vegetation (e.g., grasslands) between the two models. For ambient NH3, STAGE has slightly higher concentrations and smaller bias in the winter, spring, and fall, while M3Dry has higher concentrations and smaller bias but larger error and lower correlation in the summer.

The Community Multiscale Air Quality (CMAQ) model is a comprehensive multipollutant air quality modeling system developed and maintained by the US Environmental Protection Agency's (EPA) Office of Research and Development (ORD). Recently, version 5.1 of the CMAQ model (v5.1) was released to the public, incorporating a large number of science updates and extended capabilities over the previous release version of the model (v5.0.2). These updates include the following: improvements in the meteorological calculations in both CMAQ and the Weather Research and Forecast (WRF) model used to provide meteorological fields to CMAQ, updates to the gas and aerosol chemistry, revisions to the calculations of clouds and photolysis, and improvements to the dry and wet deposition in the model. Sensitivity simulations isolating several of the major updates to the modeling system show that changes to the meteorological calculations result in enhanced afternoon and early evening mixing in the model, periods when the model historically underestimates mixing. This enhanced mixing results in higher ozone (O3) mixing ratios on average due to reduced NO titration, and lower fine particulate matter (PM2.5) concentrations due to greater dilution of primary pollutants (e.g., elemental and organic carbon). Updates to the clouds and photolysis calculations greatly improve consistency between the WRF and CMAQ models and result in generally higher O3 mixing ratios, primarily due to reduced cloudiness and attenuation of photolysis in the model. Updates to the aerosol chemistry result in higher secondary organic aerosol (SOA) concentrations in the summer, thereby reducing summertime PM2.5 bias (PM2.5 is typically underestimated by CMAQ in the summer), while updates to the gas chemistry result in slightly higher O3 and PM2.5 on average in January and July. Overall, the seasonal variation in simulated PM2.5 generally improves in CMAQv5.1 (when considering all model updates), as simulated PM2.5 concentrations decrease in the winter (when PM2.5 is generally overestimated by CMAQ) and increase in the summer (when PM2.5 is generally underestimated by CMAQ). Ozone mixing ratios are higher on average with v5.1 vs. v5.0.2, resulting in higher O3 mean bias, as O3 tends to be overestimated by CMAQ throughout most of the year (especially at locations where the observed O3 is low); however, O3 correlation is largely improved with v5.1. Sensitivity simulations for several hypothetical emission reduction scenarios show that v5.1 tends to be slightly more responsive to reductions in NO x (NO + NO2), VOC and SO x (SO2 + SO4) emissions than v5.0.2, representing an improvement as previous studies have shown CMAQ to underestimate the observed reduction in O3 due to large, widespread reductions in observed emissions.

The Community Multiscale Air Quality Model (CMAQ) is a local- to hemispheric-scale numerical air quality modeling system developed by the U.S. Environmental Protection Agency (USEPA) and supported by the Community Modeling and Analysis System (CMAS) center. CMAQ is used for regulatory purposes by the USEPA program offices and state and local air agencies and is also widely used by the broader global research community to simulate and understand complex air quality processes and for computational environmental fate and transport and climate and health impact studies. Leveraging state-of-the-science cloud computing resources for high-performance computing (HPC) applications, CMAQ is now available as a fully tested, publicly available technology stack (HPC cluster and software stack) for two major cloud service providers (CSPs). Specifically, CMAQ configurations and supporting materials have been developed for use on their HPC clusters, including extensive online documentation, tutorials and guidelines to scale and optimize air quality simulations using their services. These resources allow modelers to rapidly bring together CMAQ, cloud-hosted datasets, and visualization and evaluation tools on ephemeral clusters that can be deployed quickly and reliably worldwide. Described here are considerations in CMAQ version 5.3.3 cloud use and the supported resources for each CSP, presented through a benchmark application suite that was developed as an example of a typical simulation for testing and verifying components of the modeling system. The outcomes of this effort are to provide findings from performing CMAQ simulations on the cloud using popular vendor-provided resources, to enable the user community to adapt this for their own needs, and to identify specific areas of potential optimization with respect to storage and compute architectures.

Air quality modeling for research and regulatory applications often involves executing many emissions sensitivity cases to quantify impacts of hypothetical scenarios, estimate source contributions, or quantify uncertainties. Despite the prevalence of this task, conventional approaches for perturbing emissions in chemical transport models like the Community Multiscale Air Quality (CMAQ) model require extensive offline creation and finalization of alternative emissions input files. This workflow is often time-consuming, error-prone, inconsistent among model users, difficult to document, and dependent on increased hard disk resources. The Detailed Emissions Scaling, Isolation, and Diagnostic (DESID) module, a component of CMAQv5.3 and beyond, addresses these limitations by performing these modifications online during the air quality simulation. Further, the model contains an Emission Control Interface which allows users to prescribe both simple and highly complex emissions scaling operations with control over individual or multiple chemical species, emissions sources, and spatial areas of interest. DESID further enhances the transparency of its operations with extensive error-checking and optional gridded output of processed emission fields. These new features are of high value to many air quality applications including routine perturbation studies, atmospheric chemistry research, and coupling with external models (e.g., energy system models, reduced-form models).

Future variations of global vegetation are of paramount importance for the socio-ecological systems. However, up to now, it is still difficult to develop an approach to project the global vegetation considering the spatial heterogeneities from vegetation, climate factors, and models. Therefore, this study first proposes a novel model framework named GGMAOC (grid-by-grid; multi-algorithms; optimal combination) to construct an optimal model using six algorithms (i.e., LR: linear regression; SVR: support vector regression; RF: random forest; CNN: convolutional neural network; and LSTM: long short-term memory; transformer) based on five climatic factors (i.e., Tmp: temperature; Pre: precipitation; ET: evapotranspiration, SM: soil moisture, and CO2). The optimal model is employed to project the future changes in leaf area index (LAI) for the global and four sub-regions: the high-latitude northern hemisphere (NH), the mid-latitude NH, the tropics, and the mid-latitude southern hemisphere. Our results indicate that global LAI will continue to increase, with the greening rate expanding to 2.25 times in high-latitude NH by 2100 against the 1982-2014 period. Moreover, RF shows strong applicability in the global and NH models. In this study, we introduce an innovative model GGMAOC, which provides a new optimal model scheme for environmental and geoscientific research.

A new dynamical core, known as the Finite-Volume Cubed-Sphere (FV3) and developed at both NASA and NOAA, is used in NOAA's Global Forecast System (GFS) and in limited-area models for regional weather and air quality applications. NOAA has also upgraded the operational FV3GFS to version 16 (GFSv16), which includes a number of significant developmental advances to the model configuration, data assimilation, and underlying model physics, particularly for atmospheric composition to weather feedback. Concurrent with the GFSv16 upgrade, we couple the GFSv16 with the Community Multiscale Air Quality (CMAQ) model to form an advanced version of the National Air Quality Forecasting Capability (NAQFC) that will continue to protect human and ecosystem health in the US. Here we describe the development of the FV3GFSv16 coupling with a "state-of-the-science" CMAQ model version 5.3.1. The GFS-CMAQ coupling is made possible by the seminal version of the NOAA-EPA Atmosphere-Chemistry Coupler (NACC), which became a major piece of the next operational NAQFC system (i.e., NACC-CMAQ) on 20 July 2021. NACC-CMAQ has a number of scientific advancements that include satellite-based data acquisition technology to improve land cover and soil characteristics and inline wildfire smoke and dust predictions that are vital to predictions of fine particulate matter (PM2.5) concentrations during hazardous events affecting society, ecosystems, and human health. The GFS-driven NACC-CMAQ model has significantly different meteorological and chemical predictions compared to the previous operational NAQFC, where evaluation of NACC-CMAQ shows generally improved near-surface ozone and PM2.5 predictions and diurnal patterns, both of which are extended to a 72 h (3 d) forecast with this system.

Chemical mechanisms are one of the major sources of bias in chemical transport model simulations, making their improvement a critical step towards enhancing model performance and supporting air quality management and research. In this study, a newly developed chemical mechanism, the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM), integrated into the Community Multiscale Air Quality (CMAQ) modeling system, was evaluated through comparison with two traditional chemical mechanisms, Carbon Bond 6 version r3 with aero7 treatment of SOA (CB6r3_ae7) and State Air Pollution Research Center version 07tc with extended isoprene chemistry and aero7i treatment of SOA (Saprc07tic_ae7i), for China. Sensitivity simulations related to precursor reactive organic carbon (ROC) emissions were conducted to investigate the key driving factors of PM2.5 formation. The results indicate that, when using the traditional primary organic aerosol (POA) inventory, the differences among the three chemical mechanisms are within 0-0.14 for the R, 0-10 &#x3bc;g m-3 for the MB, and within 10 % for the NMB values. However, when the full-volatility emission inventory is applied in January, CRACMM exhibits improved performance in the Pearl River Delta (PRD) region. The MB is reduced by 3.0-7.8 &#x3bc;g m-3. In addition, the NMB decreases by 17 %-23 %, and the root mean square error (RMSE) is reduced by 1-6 &#x3bc;g m-3 compared with simulations using the traditional POA inventory across the four months. CRACMM predicts higher PM2.5 concentrations during spring, summer and autumn, mainly due to enhanced secondary organic aerosol (SOA) formation driven by increased precursor emissions. Benzene-toluene-xylene (BTX) species and semi-volatile organic compound (SVOC) emissions significantly contributed to PM2.5 formation in CRACMM. The SOA from BTX emissions accounts for nearly 50 % of the PM2.5 changes, while intermediate-volatility organic compounds (IVOC) and SVOC emissions mainly affect PM2.5 concentrations through SOA formation. These results indicate that CRACMM, when using the full-volatility inventory, can effectively compensate for the underestimation of PM2.5 mass that may occur with traditional POA treatment, particularly in regions with high photochemical activity and abundant S/IVOC precursors.

Gas-phase oxidation of isoprene by ozone (O3) and the hydroxyl (OH) and nitrate (NO3) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ~ 10 to ~ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as inputs a full isoprene oxidation mechanism, the environmental parameter space, and a list of priority species which are protected from elimination during the reduction process. Our reduced mechanism, AMORE-Isoprene (where AMORE stands for Automated Model Reduction), consists of 12 species which are unique to the isoprene mechanism as well as 22 reactions. We demonstrate its performance in a box model in comparison with experimental data from the literature and other current isoprene oxidation mechanisms. AMORE-Isoprene's performance with respect to predicting the time evolution of isoprene oxidation products, including isoprene epoxydiols (IEPOX) and formaldehyde, is favorable compared with other similarly sized mechanisms. When AMORE-Isoprene is included in the Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) in the Community Multiscale Air Quality Model (CMAQ, v5.3.3), O3 and formaldehyde agreement with Environmental Protection Agency (EPA) Air Quality System observations is improved. O3 bias is reduced by 3.4ppb under daytime conditions for O3 concentrations over 50 ppb. Formaldehyde bias is reduced by 0.26 ppb on average for all formaldehyde measurements compared with the base CRACMM1. There was no significant change in computation time between CRACMM1AMORE and the base CRACMM. AMORE-Isoprene shows a 35 % improvement in agreement between simulated IEPOX concentrations and chamber data over the base CRACMM1 mechanism when compared in the Framework for 0-D Atmospheric Modeling (F0AM) box model framework. This work demonstrates a new highly reduced isoprene mechanism and shows the potential value of automated model reduction for complex reaction systems.

Atmospheric radiative transfer models (RTMs) are software tools that help researchers in understanding the radiative processes occurring in the Earth's atmosphere. Given their importance in remote sensing applications, the intercomparison of atmospheric RTMs is therefore one of the main tasks used to evaluate model performance and identify the characteristics that differ between models. This can be a tedious tasks that requires good knowledge of the model inputs/outputs and the generation of large databases of consistent simulations. With the evolution of these software tools, their increase in complexity bears implications for their use in practical applications and model intercomparison. Existing RTM-specific graphical user interfaces are not optimized for performing intercomparison studies of a wide variety of atmospheric RTMs. In this paper, we present the Atmospheric Look-up table Generator (ALG) version 2.0, a new software tool that facilitates generating large databases for a variety of atmospheric RTMs. ALG facilitates consistent and intuitive user interaction to enable the running of model executions and storing of RTM data for any spectral configuration in the optical domain. We demonstrate the utility of ALG in performing intercomparison studies of radiance simulations from broadly used atmospheric RTMs (6SV, MODTRAN, and libRadtran) through global sensitivity analysis. We expect that providing ALG to the research community will facilitate the usage of atmospheric RTMs to a wide range of applications in Earth observation.

The Model for Prediction Across Scales - Atmosphere (MPAS-A) has been modified to allow four-dimensional data assimilation (FDDA) by the nudging of temperature, humidity, and wind toward target values predefined on the MPAS-A computational mesh. The addition of nudging allows MPAS-A to be used as a global-scale meteorological driver for retrospective air quality modeling. The technique of "analysis nudging" developed for the Penn State/National Center for Atmospheric Research (NCAR) Mesoscale Model, and later applied in the Weather Research and Forecasting model, is implemented in MPAS-A with adaptations for its polygonal Voronoi mesh. Reference fields generated from 1&#xb0;&#xd7;1&#xb0; National Centers for Environmental Prediction (NCEP) FNL (Final) Operational Global Analysis data were used to constrain MPAS-A simulations on a 92-25km variable-resolution mesh with refinement centered over the contiguous United States. Test simulations were conducted for January and July 2013 with and without FDDA, and compared to reference fields and near-surface meteorological observations. The results demonstrate that MPAS-A with analysis nudging has high fidelity to the reference data while still maintaining conservation of mass as in the unmodified model. The results also show that application of FDDA constrains model errors relative to 2m temperature, 2m water vapor mixing ratio, and 10m wind speed such that they continue to be at or below the magnitudes found at the start of each test period.

Urban smoke exposure events from large wildfires have become increasingly common in California and throughout the western United States. The ability to study the impacts of high smoke aerosol exposures from these events on the public is limited by the availability of high-quality, spatially resolved estimates of aerosol concentrations. Methods for assigning aerosol exposure often employ multiple data sets that are time-consuming to create and difficult to reproduce. As these events have gone from occasional to nearly annual in frequency, the need for rapid smoke exposure assessments has increased. The rapidfire (relatively accurate particulate information derived from inputs retrieved easily) R package (version 0.1.3) provides a suite of tools for developing exposure assignments using data sets that are routinely generated and publicly available within a month of the event. Specifically, rapidfire harvests official air quality monitoring, satellite observations, meteorological modeling, operational predictive smoke modeling, and low-cost sensor networks. A machine learning approach, random forest (RF) regression, is used to fuse the different data sets. Using rapidfire, we produced estimates of ground-level 24 h average particulate matter for several large wildfire smoke events in California from 2017-2021. These estimates show excellent agreement with independent measures from filter-based networks.

The state-of-the-science Community Multiscale Air Quality (CMAQ) Modeling System has recently been extended for hemispheric-scale modeling applications (referred to as H-CMAQ). In this study, satellite-constrained estimation of the degassing SO2 emissions from 50 volcanoes over the Northern Hemisphere is incorporated into H-CMAQ, and their impact on tropospheric sulfate aerosol ( SO 4 2 - ) levels is assessed for 2010. The volcanic degassing improves predictions of observations from the Acid Deposition Monitoring Network in East Asia (EANET), the United States Clean Air Status and Trends Network (CASTNET), and the United States Integrated Monitoring of Protected Visual Environments (IMPROVE). Over Asia, the increased SO 4 2 - concentrations were seen to correspond to the locations of volcanoes, especially over Japan and Indonesia. Over the USA, the largest impacts that occurred over the central Pacific were caused by including the Hawaiian Kilauea volcano, while the impacts on the continental USA were limited to the western portion during summertime. The emissions of the Soufri&#xe8;re Hills volcano located on the island of Montserrat in the Caribbean Sea affected the southeastern USA during the winter season. The analysis at specific sites in Hawaii and Florida also confirmed improvements in regional performance for modeled SO 4 2 - by including volcanoes SO2 emissions. At the edge of the western USA, monthly averaged SO 4 2 - enhancements greater than 0.1&#x3bc;gm-3 were noted within the boundary layer (defined as surface to 750hPa) during June- September. Investigating the change on SO 4 2 - concentration throughout the free troposphere revealed that although the considered volcanic SO2 emissions occurred at or below the middle of free troposphere (500hPa), compared to the simulation without the volcanic source, SO 4 2 - enhancements of more than 10% were detected up to the top of the free troposphere (250hPa). Our model simulations and comparisons with measurements across the Northern Hemisphere indicate that the degassing volcanic SO2 emissions are an important source and should be considered in air quality model simulations assessing background SO 4 2 - levels and their source attribution.

This paper describes the development and implementation of an extendable aqueous-phase chemistry option (AQCHEM -KMT(I)) for the Community Multiscale Air Quality (CMAQ) modeling system, version 5.1. Here, the Kinetic PreProcessor (KPP), version 2.2.3, is used to generate a Rosenbrock solver (Rodas3) to integrate the stiff system of ordinary differential equations (ODEs) that describe the mass transfer, chemical kinetics, and scavenging processes of CMAQ clouds. CMAQ's standard cloud chemistry module (AQCHEM) is structurally limited to the treatment of a simple chemical mechanism. This work advances our ability to test and implement more sophisticated aqueous chemical mechanisms in CMAQ and further investigate the impacts of microphysical parameters on cloud chemistry. Box model cloud chemistry simulations were performed to choose efficient solver and tolerance settings, evaluate the implementation of the KPP solver, and assess the direct impacts of alternative solver and kinetic mass transfer on predicted concentrations for a range of scenarios. Month-long CMAQ simulations for winter and summer periods over the US reveal the changes in model predictions due to these cloud module updates within the full chemical transport model. While monthly average CMAQ predictions are not drastically altered between AQCHEM and AQCHEM-KMT, hourly concentration differences can be significant. With added in-cloud secondary organic aerosol (SOA) formation from biogenic epoxides (AQCHEM-KMTI), normalized mean error and bias statistics are slightly improved for 2-methyltetrols and 2-methylglyceric acid at the Research Triangle Park measurement site in North Carolina during the Southern Oxidant and Aerosol Study (SOAS) period. The added in-cloud chemistry leads to a monthly average increase of 11-18 % in "cloud" SOA at the surface in the eastern United States for June 2013.

Reducing the uncertainty in the past, present and future contribution of ice sheets to sea-level change requires a coordinated effort between the climate and glaciology communities. The Ice Sheet Model Intercomparison Project for CMIP6 (ISMIP6) is the primary activity within the Coupled Model Intercomparison Project - phase 6 (CMIP6) focusing on the Greenland and Antarctic Ice Sheets. In this paper, we describe the framework for ISMIP6 and its relationship to other activities within CMIP6. The ISMIP6 experimental design relies on CMIP6 climate models and includes, for the first time within CMIP, coupled ice sheet - climate models as well as standalone ice sheet models. To facilitate analysis of the multi-model ensemble and to generate a set of standard climate inputs for standalone ice sheet models, ISMIP6 defines a protocol for all variables related to ice sheets. ISMIP6 will provide a basis for investigating the feedbacks, impacts, and sea-level changes associated with dynamic ice sheets and for quantifying the uncertainty in ice-sheet-sourced global sea-level change.