Articles | Volume 17, issue 6
https://doi.org/10.5194/gmd-17-2197-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/gmd-17-2197-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Development and technical paper
| 
19 Mar 2024
Development and technical paper |
| 19 Mar 2024
| 19 Mar 2024
HETerogeneous vectorized or Parallel (HETPv1.0): an updated inorganic heterogeneous chemistry solver for the metastable-state NH4+–Na+–Ca2+–K+–Mg2+–SO42−–NO3−–Cl−–H2O system based on ISORROPIA II
Air Quality Modelling and Integration Section, Air Quality Research Division, Atmospheric Science and Technology Directorate, Environment and Climate Change Canada, 4905 Dufferin Street, Toronto, Ontario, M3H 5T4, Canada
Paul A. Makar
CORRESPONDING AUTHOR
Air Quality Modelling and Integration Section, Air Quality Research Division, Atmospheric Science and Technology Directorate, Environment and Climate Change Canada, 4905 Dufferin Street, Toronto, Ontario, M3H 5T4, Canada
Colin J. Lee
Air Quality Modelling and Integration Section, Air Quality Research Division, Atmospheric Science and Technology Directorate, Environment and Climate Change Canada, 4905 Dufferin Street, Toronto, Ontario, M3H 5T4, Canada
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Stefan J. Miller and Mark Gordon
Atmos. Meas. Tech., 15, 6563–6584, https://doi.org/10.5194/amt-15-6563-2022, https://doi.org/10.5194/amt-15-6563-2022, 2022
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This research investigates the measurement of atmospheric turbulence using a low-cost instrumented car that travels at near-highway speeds and is impacted by upwind obstructions and other on-road traffic. We show that our car design can successfully measure the mean flow and atmospheric turbulence near the surface. We outline a technique to isolate and remove the effects of sporadic passing traffic from car-measured velocity variances and discuss potential measurement uncertainties.
Kerry Anderson, Jack Chen, Peter Englefield, Debora Griffin, Paul Makar, and Dan Thompson
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-31, https://doi.org/10.5194/gmd-2024-31, 2024
Preprint under review for GMD
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The Global Forest Fire Emissions Prediction System (GFFEPS) is a model that predicts smoke and carbon emissions from wildland fires. The model calculates emissions from the ground up based on satellite detected fires, modelled weather and fire characteristics. Unlike other global models, GFFEPS uses daily weather conditions to capture changing burning conditions on a day-to-day basis. GFFEPS produced lower carbon emissions due to the changing weather not captured by the other models.
Roya Ghahreman, Wanmin Gong, Paul A. Makar, Alexandru Lupu, Amanda Cole, Kulbir Banwait, Colin Lee, and Ayodeji Akingunola
Geosci. Model Dev., 17, 685–707, https://doi.org/10.5194/gmd-17-685-2024, https://doi.org/10.5194/gmd-17-685-2024, 2024
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The article explores the impact of different representations of below-cloud scavenging on model biases. A new scavenging scheme and precipitation-phase partitioning improve the model's performance, with better SO42- scavenging and wet deposition of NO3- and NH4+.
Colin J. Lee, Paul A. Makar, and Joana Soares
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2023-185, https://doi.org/10.5194/gmd-2023-185, 2023
Revised manuscript has not been submitted
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Clustering is an analysis technique for finding similarities within datasets. We present a new implementation of the hierarchical clustering algorithm that is able to process much larger datasets than was previously possible, by spreading the program out over many connected computers in a high-performance computing system. We show airshed maps of a high-resolution regional model output domain, and find related air pollution profiles at monitoring stations separated by thousands of kilometers.
Xuanyi Zhang, Mark Gordon, Paul A. Makar, Timothy Jiang, Jonathan Davies, and David Tarasick
Atmos. Chem. Phys., 23, 13647–13664, https://doi.org/10.5194/acp-23-13647-2023, https://doi.org/10.5194/acp-23-13647-2023, 2023
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Measurements of ozone in the atmosphere were made in a forest downwind of oil sands mining and production facilities in northern Alberta. These measurements show that the emissions of other pollutants from oil sands production and processing reduce the amount of ozone in the forest. By using an atmospheric model combined with measurements, we find that the rate at which ozone is absorbed by the forest is lower than typical rates from similar measurements in other forests.
Olivia E. Clifton, Donna Schwede, Christian Hogrefe, Jesse O. Bash, Sam Bland, Philip Cheung, Mhairi Coyle, Lisa Emberson, Johannes Flemming, Erick Fredj, Stefano Galmarini, Laurens Ganzeveld, Orestis Gazetas, Ignacio Goded, Christopher D. Holmes, László Horváth, Vincent Huijnen, Qian Li, Paul A. Makar, Ivan Mammarella, Giovanni Manca, J. William Munger, Juan L. Pérez-Camanyo, Jonathan Pleim, Limei Ran, Roberto San Jose, Sam J. Silva, Ralf Staebler, Shihan Sun, Amos P. K. Tai, Eran Tas, Timo Vesala, Tamás Weidinger, Zhiyong Wu, and Leiming Zhang
Atmos. Chem. Phys., 23, 9911–9961, https://doi.org/10.5194/acp-23-9911-2023, https://doi.org/10.5194/acp-23-9911-2023, 2023
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A primary sink of air pollutants is dry deposition. Dry deposition estimates differ across the models used to simulate atmospheric chemistry. Here, we introduce an effort to examine dry deposition schemes from atmospheric chemistry models. We provide our approach’s rationale, document the schemes, and describe datasets used to drive and evaluate the schemes. We also launch the analysis of results by evaluating against observations and identifying the processes leading to model–model differences.
Mark Gordon, Dane Blanchard, Timothy Jiang, Paul A. Makar, Ralf M. Staebler, Julian Aherne, Cris Mihele, and Xuanyi Zhang
Atmos. Chem. Phys., 23, 7241–7255, https://doi.org/10.5194/acp-23-7241-2023, https://doi.org/10.5194/acp-23-7241-2023, 2023
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Measurements of the gas sulfur dioxide (SO2) were made in a forest downwind of oil sands mining and production facilities in northern Alberta. These measurements tell us the rate at which SO2 is absorbed by the forest. The measured rate is much higher than what is currently used by air quality models, which is supported by a previous study in this region. This suggests that SO2 may have a much shorter lifetime in the atmosphere at this location than currently predicted by models.
Debora Griffin, Jack Chen, Kerry Anderson, Paul Makar, Chris A. McLinden, Enrico Dammers, and Andre Fogal
EGUsphere, https://doi.org/10.5194/egusphere-2023-649, https://doi.org/10.5194/egusphere-2023-649, 2023
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Satellite-derived CO emissions provide new insights into the understanding of global CO emission rates from wildfires. We use TROPOMI satellite data to create a global inventory database of wildfire CO emissions. These satellite-derived wildfire emissions are used for the evaluation and improvement of existing fire emission inventories, and to examine how the wildfire CO emissions changed over the past two decades.
Timothy Jiang, Mark Gordon, Paul A. Makar, Ralf M. Staebler, and Michael Wheeler
Atmos. Chem. Phys., 23, 4361–4372, https://doi.org/10.5194/acp-23-4361-2023, https://doi.org/10.5194/acp-23-4361-2023, 2023
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Measurements of submicron aerosols (particles smaller than 1 / 1000 of a millimeter) were made in a forest downwind of oil sands mining and production facilities in northern Alberta. These measurements tell us how quickly aerosols are absorbed by the forest (known as deposition rate) and how the deposition rate depends on the size of the aerosol. The measurements show good agreement with a parameterization developed from a recent study for deposition of aerosols to a similar pine forest.
Stefan J. Miller and Mark Gordon
Atmos. Meas. Tech., 15, 6563–6584, https://doi.org/10.5194/amt-15-6563-2022, https://doi.org/10.5194/amt-15-6563-2022, 2022
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This research investigates the measurement of atmospheric turbulence using a low-cost instrumented car that travels at near-highway speeds and is impacted by upwind obstructions and other on-road traffic. We show that our car design can successfully measure the mean flow and atmospheric turbulence near the surface. We outline a technique to isolate and remove the effects of sporadic passing traffic from car-measured velocity variances and discuss potential measurement uncertainties.
Mahtab Majdzadeh, Craig A. Stroud, Christopher Sioris, Paul A. Makar, Ayodeji Akingunola, Chris McLinden, Xiaoyi Zhao, Michael D. Moran, Ihab Abboud, and Jack Chen
Geosci. Model Dev., 15, 219–249, https://doi.org/10.5194/gmd-15-219-2022, https://doi.org/10.5194/gmd-15-219-2022, 2022
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A new lookup table for aerosol optical properties based on a Mie scattering code was calculated and adopted within an improved version of the photolysis module in the GEM-MACH in-line chemical transport model. The modified version of the photolysis module makes use of online interactive aerosol feedback and applies core-shell parameterizations to the black carbon absorption efficiency based on Bond et al. (2006) to the size bins with black carbon mass fraction of less than 40 %.
Debora Griffin, Chris A. McLinden, Enrico Dammers, Cristen Adams, Chelsea E. Stockwell, Carsten Warneke, Ilann Bourgeois, Jeff Peischl, Thomas B. Ryerson, Kyle J. Zarzana, Jake P. Rowe, Rainer Volkamer, Christoph Knote, Natalie Kille, Theodore K. Koenig, Christopher F. Lee, Drew Rollins, Pamela S. Rickly, Jack Chen, Lukas Fehr, Adam Bourassa, Doug Degenstein, Katherine Hayden, Cristian Mihele, Sumi N. Wren, John Liggio, Ayodeji Akingunola, and Paul Makar
Atmos. Meas. Tech., 14, 7929–7957, https://doi.org/10.5194/amt-14-7929-2021, https://doi.org/10.5194/amt-14-7929-2021, 2021
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Satellite-derived NOx emissions from biomass burning are estimated with TROPOMI observations. Two common emission estimation methods are applied, and sensitivity tests with model output were performed to determine the accuracy of these methods. The effect of smoke aerosols on TROPOMI NO2 columns is estimated and compared to aircraft observations from four different aircraft campaigns measuring biomass burning plumes in 2018 and 2019 in North America.
Stefano Galmarini, Paul Makar, Olivia E. Clifton, Christian Hogrefe, Jesse O. Bash, Roberto Bellasio, Roberto Bianconi, Johannes Bieser, Tim Butler, Jason Ducker, Johannes Flemming, Alma Hodzic, Christopher D. Holmes, Ioannis Kioutsioukis, Richard Kranenburg, Aurelia Lupascu, Juan Luis Perez-Camanyo, Jonathan Pleim, Young-Hee Ryu, Roberto San Jose, Donna Schwede, Sam Silva, and Ralf Wolke
Atmos. Chem. Phys., 21, 15663–15697, https://doi.org/10.5194/acp-21-15663-2021, https://doi.org/10.5194/acp-21-15663-2021, 2021
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This technical note presents the research protocols for phase 4 of the Air Quality Model Evaluation International Initiative (AQMEII4). This initiative has three goals: (i) to define the state of wet and dry deposition in regional models, (ii) to evaluate how dry deposition influences air concentration and flux predictions, and (iii) to identify the causes for prediction differences. The evaluation compares LULC-specific dry deposition and effective conductances and fluxes.
Sepehr Fathi, Mark Gordon, Paul A. Makar, Ayodeji Akingunola, Andrea Darlington, John Liggio, Katherine Hayden, and Shao-Meng Li
Atmos. Chem. Phys., 21, 15461–15491, https://doi.org/10.5194/acp-21-15461-2021, https://doi.org/10.5194/acp-21-15461-2021, 2021
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We have investigated the accuracy of aircraft-based mass balance methodologies through computer model simulations of the atmosphere and air quality at a regional high-resolution scale. We have defined new quantitative metrics to reduce emission retrieval uncertainty by evaluating top-down mass balance estimates against the known simulated meteorology and input emissions. We also recommend methodologies and flight strategies for improved retrievals in future aircraft-based studies.
Xinxin Ye, Pargoal Arab, Ravan Ahmadov, Eric James, Georg A. Grell, Bradley Pierce, Aditya Kumar, Paul Makar, Jack Chen, Didier Davignon, Greg R. Carmichael, Gonzalo Ferrada, Jeff McQueen, Jianping Huang, Rajesh Kumar, Louisa Emmons, Farren L. Herron-Thorpe, Mark Parrington, Richard Engelen, Vincent-Henri Peuch, Arlindo da Silva, Amber Soja, Emily Gargulinski, Elizabeth Wiggins, Johnathan W. Hair, Marta Fenn, Taylor Shingler, Shobha Kondragunta, Alexei Lyapustin, Yujie Wang, Brent Holben, David M. Giles, and Pablo E. Saide
Atmos. Chem. Phys., 21, 14427–14469, https://doi.org/10.5194/acp-21-14427-2021, https://doi.org/10.5194/acp-21-14427-2021, 2021
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Wildfire smoke has crucial impacts on air quality, while uncertainties in the numerical forecasts remain significant. We present an evaluation of 12 real-time forecasting systems. Comparison of predicted smoke emissions suggests a large spread in magnitudes, with temporal patterns deviating from satellite detections. The performance for AOD and surface PM2.5 and their discrepancies highlighted the role of accurately represented spatiotemporal emission profiles in improving smoke forecasts.
Paul A. Makar, Craig Stroud, Ayodeji Akingunola, Junhua Zhang, Shuzhan Ren, Philip Cheung, and Qiong Zheng
Atmos. Chem. Phys., 21, 12291–12316, https://doi.org/10.5194/acp-21-12291-2021, https://doi.org/10.5194/acp-21-12291-2021, 2021
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Vehicle pollutant emissions occur in an environment where upward transport can be enhanced due to the turbulence created by the vehicles as they move through the atmosphere. An approach for including these turbulence effects in regional air pollution forecast models has been derived from theoretical, observation, and higher-resolution modeling. The enhanced mixing, which occurs in the immediate vicinity of roadways, changes pollutant concentrations on the regional to continental scale.
Zhiyong Wu, Leiming Zhang, John T. Walker, Paul A. Makar, Judith A. Perlinger, and Xuemei Wang
Geosci. Model Dev., 14, 5093–5105, https://doi.org/10.5194/gmd-14-5093-2021, https://doi.org/10.5194/gmd-14-5093-2021, 2021
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A community dry deposition algorithm for modeling the gaseous dry deposition process in chemistry transport models was extended to include an additional 12 oxidized volatile organic compounds and hydrogen cyanide based on their physicochemical properties and was then evaluated using field flux measurements over a mixed forest. This study provides a useful tool that is needed in chemistry transport models with increasing complexity for simulating an important atmospheric process.
Paul A. Makar, Ayodeji Akingunola, Jack Chen, Balbir Pabla, Wanmin Gong, Craig Stroud, Christopher Sioris, Kerry Anderson, Philip Cheung, Junhua Zhang, and Jason Milbrandt
Atmos. Chem. Phys., 21, 10557–10587, https://doi.org/10.5194/acp-21-10557-2021, https://doi.org/10.5194/acp-21-10557-2021, 2021
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We have examined the effects of airborne particles on absorption and scattering of incoming sunlight by the particles themselves via cloud formation. We used an advanced, combined high-resolution weather forecast and chemical transport computer model, for western North America, and simulations with and without the connections between particles and weather enabled. Feedbacks improved weather and air pollution forecasts and changed cloud behaviour and forest-fire pollutant amount and height.
Katherine Hayden, Shao-Meng Li, Paul Makar, John Liggio, Samar G. Moussa, Ayodeji Akingunola, Robert McLaren, Ralf M. Staebler, Andrea Darlington, Jason O'Brien, Junhua Zhang, Mengistu Wolde, and Leiming Zhang
Atmos. Chem. Phys., 21, 8377–8392, https://doi.org/10.5194/acp-21-8377-2021, https://doi.org/10.5194/acp-21-8377-2021, 2021
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We developed a method using aircraft measurements to determine lifetimes with respect to dry deposition for oxidized sulfur and nitrogen compounds over the boreal forest in Alberta, Canada. Atmospheric lifetimes were significantly shorter than derived from chemical transport models with differences related to modelled dry deposition velocities. The shorter lifetimes suggest models need to reassess dry deposition treatment and predictions of sulfur and nitrogen in the atmosphere and ecosystems.
Debora Griffin, Christopher Sioris, Jack Chen, Nolan Dickson, Andrew Kovachik, Martin de Graaf, Swadhin Nanda, Pepijn Veefkind, Enrico Dammers, Chris A. McLinden, Paul Makar, and Ayodeji Akingunola
Atmos. Meas. Tech., 13, 1427–1445, https://doi.org/10.5194/amt-13-1427-2020, https://doi.org/10.5194/amt-13-1427-2020, 2020
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This study looks into validating the aerosol layer height product from the recently launched TROPOspheric Monitoring Instrument (TROPOMI) for forest fire plume through comparisons with two other satellite products, and interpreting differences due to the individual measurement techniques. These satellite observations are compared to predicted plume heights from Environment and Climate Change's air quality forecast model.
Cynthia H. Whaley, Elisabeth Galarneau, Paul A. Makar, Michael D. Moran, and Junhua Zhang
Atmos. Chem. Phys., 20, 2911–2925, https://doi.org/10.5194/acp-20-2911-2020, https://doi.org/10.5194/acp-20-2911-2020, 2020
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Benzene and polycyclic aromatic compounds are toxic air pollutants and ubiquitous in the environment. Using a chemical transport model, we have determined the net impact of vehicle emissions on ambient concentrations of these species. Traffic emissions were found to be a significant fraction of ambient pollution in the densely populated modelled region of North America. Our simulations demonstrate the air quality benefits that would result from transitioning to a zero-emission vehicle fleet.
Matthew Russell, Amir Hakami, Paul A. Makar, Ayodeji Akingunola, Junhua Zhang, Michael D. Moran, and Qiong Zheng
Atmos. Chem. Phys., 19, 4393–4417, https://doi.org/10.5194/acp-19-4393-2019, https://doi.org/10.5194/acp-19-4393-2019, 2019
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High-resolution air-quality forecast modeling results are compared for two different grid spacings for the Environment and Climate Change Canada GEM-MACH model. While the higher-resolution simulations have worse formal error scores, we show that the higher-resolution model nevertheless has the ability to better resolve plume maxima and has better performance when the evaluation occurs using new scoring metrics which operate on an equal-representative-area basis.
Cristen Adams, Chris A. McLinden, Mark W. Shephard, Nolan Dickson, Enrico Dammers, Jack Chen, Paul Makar, Karen E. Cady-Pereira, Naomi Tam, Shailesh K. Kharol, Lok N. Lamsal, and Nickolay A. Krotkov
Atmos. Chem. Phys., 19, 2577–2599, https://doi.org/10.5194/acp-19-2577-2019, https://doi.org/10.5194/acp-19-2577-2019, 2019
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We estimated how much carbon monoxide, ammonia, and nitrogen oxides were emitted in the smoke from the Fort McMurray Horse River wildfire using satellite data and air quality models. The fire emitted amounts of carbon monoxide that were similar to anthropogenic (human-caused) emissions for all of Alberta over a full year. We also estimated large amounts of ammonia and nitrogen oxides emitted from the fire. These results can be used to evaluate the performance of air quality forecasting models.
Mark Gordon, Paul A. Makar, Ralf M. Staebler, Junhua Zhang, Ayodeji Akingunola, Wanmin Gong, and Shao-Meng Li
Atmos. Chem. Phys., 18, 14695–14714, https://doi.org/10.5194/acp-18-14695-2018, https://doi.org/10.5194/acp-18-14695-2018, 2018
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This work uses aircraft-based measurements of smokestack plumes carried out in northern Alberta in 2013. These measurements are used to test equations used to predict how high in the air smokestack plumes rise. It is important to predict plume rise height accurately as it tells us how far downwind pollutants are carried and what air quality can be expected at the surface. We found that the equations that are typically used significantly underestimate the plume rise at this location.
Craig A. Stroud, Paul A. Makar, Junhua Zhang, Michael D. Moran, Ayodeji Akingunola, Shao-Meng Li, Amy Leithead, Katherine Hayden, and May Siu
Atmos. Chem. Phys., 18, 13531–13545, https://doi.org/10.5194/acp-18-13531-2018, https://doi.org/10.5194/acp-18-13531-2018, 2018
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It is shown that using measurement-derived volatile organic compound (VOC) and organic aerosol (OA) emissions in the GEM-MACH air quality model provides better overall predictions compared to using bottom-up emission inventories. This work was done to better constrain the fugitive organic emissions from the Athabasca oil sands region, which are a challenge to estimate with bottom-up emission approaches. We use observations from the 2013 Joint Oil Sands Monitoring study.
Junhua Zhang, Michael D. Moran, Qiong Zheng, Paul A. Makar, Pegah Baratzadeh, George Marson, Peter Liu, and Shao-Meng Li
Atmos. Chem. Phys., 18, 10459–10481, https://doi.org/10.5194/acp-18-10459-2018, https://doi.org/10.5194/acp-18-10459-2018, 2018
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This paper discusses the development of new synthesized emissions inventories and the generation of air quality model-ready emissions files for the Athabasca Oil Sands Region of Alberta, Canada, using multiple emissions inventories, continuous emissions monitoring data, and inferred emission rates based on aircraft measurements. Novel facility-specific gridded spatial surrogate fields were generated to allocate emissions spatially within each huge mining facility.
Paul A. Makar, Ayodeji Akingunola, Julian Aherne, Amanda S. Cole, Yayne-abeba Aklilu, Junhua Zhang, Isaac Wong, Katherine Hayden, Shao-Meng Li, Jane Kirk, Ken Scott, Michael D. Moran, Alain Robichaud, Hazel Cathcart, Pegah Baratzedah, Balbir Pabla, Philip Cheung, Qiong Zheng, and Dean S. Jeffries
Atmos. Chem. Phys., 18, 9897–9927, https://doi.org/10.5194/acp-18-9897-2018, https://doi.org/10.5194/acp-18-9897-2018, 2018
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Complex computer model output was compared to and fused with observation data, to estimate potential damage due to acidifying precipitation for ecosystems in the Canadian provinces of Alberta and Saskatchewan. Estimated deposition was compared to the maximum no-damage ecosystem capacity for sulfur and/or nitrogen uptake; these critical loads were exceeded, for areas between 10 000 and 330 000 square kilometres, depending on ecosystem type: ecosystem damage will occur at 2013 emission levels.
Cynthia H. Whaley, Elisabeth Galarneau, Paul A. Makar, Ayodeji Akingunola, Wanmin Gong, Sylvie Gravel, Michael D. Moran, Craig Stroud, Junhua Zhang, and Qiong Zheng
Geosci. Model Dev., 11, 2609–2632, https://doi.org/10.5194/gmd-11-2609-2018, https://doi.org/10.5194/gmd-11-2609-2018, 2018
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We present a new, high-resolution, North American model of PAHs and benzene, which are toxic air pollutants that cause a variety of negative health impacts. Our simulation in a densely populated region of Canada and the U.S. shows that the model is improved over a previous model. The new model is particularly refined regarding the gas–particle partitioning of these pollutants, which has impacts on deposition and inhalation. The simulation was sensitive to the selection of vehicle emissions.
Ayodeji Akingunola, Paul A. Makar, Junhua Zhang, Andrea Darlington, Shao-Meng Li, Mark Gordon, Michael D. Moran, and Qiong Zheng
Atmos. Chem. Phys., 18, 8667–8688, https://doi.org/10.5194/acp-18-8667-2018, https://doi.org/10.5194/acp-18-8667-2018, 2018
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We examine the manner in which air-quality models simulate lofting of buoyant plumes of emissions from stacks (plume rise) and the impact of the level of detail in algorithms simulating particles' variation in size (particle size distribution). The most commonly used plume rise algorithm underestimates the height of plumes compared to observations, while a revised algorithm has much better performance. A 12-bin size distribution reduced the forecast 2-bin size distribution bias error by 32 %.
Joana Soares, Paul Andrew Makar, Yayne Aklilu, and Ayodeji Akingunola
Atmos. Chem. Phys., 18, 6543–6566, https://doi.org/10.5194/acp-18-6543-2018, https://doi.org/10.5194/acp-18-6543-2018, 2018
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Grouping data on the basis of (dis)similarity can be used to assess the efficacy of monitoring networks. The data are cross-compared in terms of temporal variation and magnitude of concentrations, and sites are ranked according to their level of potential redundancy. The methodology can be applied to measurement data, helping to identify sites with different measuring technologies or data flaws, and to model output, generating maps of areas of spatial representativeness of a monitoring site.
Cynthia H. Whaley, Paul A. Makar, Mark W. Shephard, Leiming Zhang, Junhua Zhang, Qiong Zheng, Ayodeji Akingunola, Gregory R. Wentworth, Jennifer G. Murphy, Shailesh K. Kharol, and Karen E. Cady-Pereira
Atmos. Chem. Phys., 18, 2011–2034, https://doi.org/10.5194/acp-18-2011-2018, https://doi.org/10.5194/acp-18-2011-2018, 2018
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Using a modified air quality forecasting model, we have found that a significant fraction (> 50 %) of ambient ammonia comes from re-emission from plants and soils in the broader Athabasca Oil Sands region and much of Alberta and Saskatchewan. We also found that about 20 % of ambient ammonia in Alberta and Saskatchewan came from forest fires in the summer of 2013. The addition of these two processes improved modelled ammonia, which was a motivating factor in undertaking this research.
M. W. Shephard, C. A. McLinden, K. E. Cady-Pereira, M. Luo, S. G. Moussa, A. Leithead, J. Liggio, R. M. Staebler, A. Akingunola, P. Makar, P. Lehr, J. Zhang, D. K. Henze, D. B. Millet, J. O. Bash, L. Zhu, K. C. Wells, S. L. Capps, S. Chaliyakunnel, M. Gordon, K. Hayden, J. R. Brook, M. Wolde, and S.-M. Li
Atmos. Meas. Tech., 8, 5189–5211, https://doi.org/10.5194/amt-8-5189-2015, https://doi.org/10.5194/amt-8-5189-2015, 2015
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This study provides direct validations of Tropospheric Emission Spectrometer (TES) satellite retrieved profiles against coincident aircraft profiles of carbon monoxide, ammonia, methanol, and formic acid, all of which are of interest for air quality. The comparisons are performed over the Canadian oil sands region during an intensive field campaign in support of the Joint Canada-Alberta Implementation Plan for the Oil Sands Monitoring (JOSM). Initial model evaluations are also provided.
M. Gordon, A. Vlasenko, R. M. Staebler, C. Stroud, P. A. Makar, J. Liggio, S.-M. Li, and S. Brown
Atmos. Chem. Phys., 14, 9087–9097, https://doi.org/10.5194/acp-14-9087-2014, https://doi.org/10.5194/acp-14-9087-2014, 2014
P. A. Makar, R. Nissen, A. Teakles, J. Zhang, Q. Zheng, M. D. Moran, H. Yau, and C. diCenzo
Geosci. Model Dev., 7, 1001–1024, https://doi.org/10.5194/gmd-7-1001-2014, https://doi.org/10.5194/gmd-7-1001-2014, 2014
E. Galarneau, P. A. Makar, Q. Zheng, J. Narayan, J. Zhang, M. D. Moran, M. A. Bari, S. Pathela, A. Chen, and R. Chlumsky
Atmos. Chem. Phys., 14, 4065–4077, https://doi.org/10.5194/acp-14-4065-2014, https://doi.org/10.5194/acp-14-4065-2014, 2014
C. A. McLinden, V. Fioletov, K. F. Boersma, S. K. Kharol, N. Krotkov, L. Lamsal, P. A. Makar, R. V. Martin, J. P. Veefkind, and K. Yang
Atmos. Chem. Phys., 14, 3637–3656, https://doi.org/10.5194/acp-14-3637-2014, https://doi.org/10.5194/acp-14-3637-2014, 2014
J. R. Brook, P. A. Makar, D. M. L. Sills, K. L. Hayden, and R. McLaren
Atmos. Chem. Phys., 13, 10461–10482, https://doi.org/10.5194/acp-13-10461-2013, https://doi.org/10.5194/acp-13-10461-2013, 2013
C. R. Lonsdale, R. G. Stevens, C. A. Brock, P. A. Makar, E. M. Knipping, and J. R. Pierce
Atmos. Chem. Phys., 12, 11519–11531, https://doi.org/10.5194/acp-12-11519-2012, https://doi.org/10.5194/acp-12-11519-2012, 2012
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Developing meshing workflows in Gmsh v4.11 for the geologic uncertainty assessment of high-temperature aquifer thermal energy storage
Development and preliminary validation of a land surface image assimilation system based on the Common Land Model
NorSand4AI: a comprehensive triaxial test simulation database for NorSand constitutive model materials
ParticleDA.jl v.1.0: a distributed particle-filtering data assimilation package
Three-dimensional geological modelling of igneous intrusions in LoopStructural v1.5.10
Estimating volcanic ash emissions using retrieved satellite ash columns and inverse ash transport modeling using VolcanicAshInversion v1.2.1, within the operational eEMEP (emergency European Monitoring and Evaluation Programme) volcanic plume forecasting system (version rv4_17)
Accounting for uncertainties in forecasting tropical-cyclone-induced compound flooding
An automatic mesh generator for coupled 1D–2D hydrodynamic models
Numerical coupling of aerosol emissions, dry removal, and turbulent mixing in the E3SM Atmosphere Model version 1 (EAMv1) – Part 1: Dust budget analyses and the impacts of a revised coupling scheme
Numerical coupling of aerosol emissions, dry removal, and turbulent mixing in the E3SM Atmosphere Model version 1 (EAMv1) – Part 2: A semi-discrete error analysis framework for assessing coupling schemes
jsmetrics v0.2.0: a Python package for metrics and algorithms used to identify or characterise atmospheric jet streams
P3D-BRNS v1.0.0: a three-dimensional, multiphase, multicomponent, pore-scale reactive transport modelling package for simulating biogeochemical processes in subsurface environments
MinVoellmy v1: a lightweight model for simulating rapid mass movements based on a modified Voellmy rheology
Scalable Feature Extraction and Tracking (SCAFET): a general framework for feature extraction from large climate data sets
Sweep interpolation: a cost-effective semi-Lagrangian scheme in the Global Environmental Multiscale model
CHONK 1.0: landscape evolution framework: cellular automata meets graph theory
Perspectives of physics-based machine learning strategies for geoscientific applications governed by partial differential equations
Calibration of absorbing boundary layers for geoacoustic wave modeling in pseudo-spectral time-domain methods
GeoINR 1.0: an implicit neural network approach to three-dimensional geological modelling
VISIR-2: ship weather routing in Python
Incremental Analysis Update (IAU) in the Model for Prediction Across Scales coupled with the Joint Effort for Data assimilation Integration (MPAS-JEDI 2.0.0)
A comparison of Eulerian and Lagrangian methods for vertical particle transport in the water column
AutoQS v1: automatic parametrization of QuickSampling based on training images analysis
Implementation and application of ensemble optimal interpolation on an operational chemistry weather model for improving PM2.5 and visibility predictions
A dynamical core based on a discontinuous Galerkin method for higher-order finite-element sea ice modeling
Decision-making strategies implemented in SolFinder 1.0 to identify eco-efficient aircraft trajectories: application study in AirTraf 3.0
GStatSim V1.0: a Python package for geostatistical interpolation and conditional simulation
Leveraging Google's Tensor Processing Units for tsunami-risk mitigation planning in the Pacific Northwest and beyond
An improved subgrid channel model with upwind-form artificial diffusion for river hydrodynamics and floodplain inundation simulation
A model instability issue in the National Centers for Environmental Prediction Global Forecast System version 16 and potential solutions
A comparison of 3-D spherical shell thermal convection results at low to moderate Rayleigh number using ASPECT (version 2.2.0) and CitcomS (version 3.3.1)
LISFLOOD-FP 8.1: new GPU-accelerated solvers for faster fluvial/pluvial flood simulations
Fast approximate Barnes interpolation: illustrated by Python-Numba implementation fast-barnes-py v1.0
Strategies for conservative and non-conservative monotone remapping on the sphere
Modeling large‐scale landform evolution with a stream power law for glacial erosion (OpenLEM v37): benchmarking experiments against a more process-based description of ice flow (iSOSIA v3.4.3)
A mixed finite-element discretisation of the shallow-water equations
Multifidelity Monte Carlo estimation for efficient uncertainty quantification in climate-related modeling
Massively parallel modeling and inversion of electrical resistivity tomography data using PFLOTRAN
Parallelized domain decomposition for multi-dimensional Lagrangian random walk mass-transfer particle tracking schemes
The Intelligent Prospector v1.0: geoscientific model development and prediction by sequential data acquisition planning with application to mineral exploration
Assessing Effects of Climate and Technology Uncertainties in Large Natural Resource Allocation Problems
Predicting peak daily maximum 8 h ozone and linkages to emissions and meteorology in Southern California using machine learning methods (SoCAB-8HR V1.0)
Transfer learning for landslide susceptibility modeling using domain adaptation and case-based reasoning
ISMIP-HOM benchmark experiments using Underworld
spyro: a Firedrake-based wave propagation and full-waveform-inversion finite-element solver
Spatial filtering in a 6D hybrid-Vlasov scheme to alleviate adaptive mesh refinement artifacts: a case study with Vlasiator (versions 5.0, 5.1, and 5.2.1)
A Bayesian data assimilation framework for lake 3D hydrodynamic models with a physics-preserving particle filtering method using SPUX-MITgcm v1
A fast, single-iteration ensemble Kalman smoother for sequential data assimilation
Characterizing uncertainties of Earth system modeling with heterogeneous many-core architecture computing
Metrics for Intercomparison of Remapping Algorithms (MIRA) protocol applied to Earth system models
Ali Dashti, Jens C. Grimmer, Christophe Geuzaine, Florian Bauer, and Thomas Kohl
Geosci. Model Dev., 17, 3467–3485, https://doi.org/10.5194/gmd-17-3467-2024, https://doi.org/10.5194/gmd-17-3467-2024, 2024
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This study developed new meshing workflows to enable the automatic generation of meshes that follow geological models. The workflow allows for importing several geological models as input for Gmsh and later exporting the same number of high-quality meshes. This way, geological uncertainty is directly included in the numerical simulations. This study evaluates the impact of the geological uncertainty on thermohydraulic performance of two reservoirs for high-temperature heat storage applications.
Wangbin Shen, Zhaohui Lin, Zhengkun Qin, and Juan Li
Geosci. Model Dev., 17, 3447–3465, https://doi.org/10.5194/gmd-17-3447-2024, https://doi.org/10.5194/gmd-17-3447-2024, 2024
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In this study, a land surface image assimilation system capable of optimizing the spatial structure of the background field is constructed by introducing the curvelet analysis method and taking the similarity of image structure as a weak constraint. The findings demonstrate that the assimilation of surface soil moisture observation images effectively and reasonably enhances the spatial structure of soil moisture analysis field.
Luan Carlos de Sena Monteiro Ozelim, Michéle Dal Toé Casagrande, and André Luís Brasil Cavalcante
Geosci. Model Dev., 17, 3175–3197, https://doi.org/10.5194/gmd-17-3175-2024, https://doi.org/10.5194/gmd-17-3175-2024, 2024
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The paper addresses synthetic dataset challenges in nonlinear constitutive modeling of soils, providing two datasets: one with 2000 soil types, 40 test conditions each (160 000 triaxial tests), and a second with 2048 soil types, 42 test conditions each (172 032 triaxial tests). Each dataset is a 4000×10 matrix applicable for multivariate forecasting and geotechnical simulations. In addition, a new Python code is introduced, empowering researchers to leverage Python packages for NorSand analyses.
Daniel Giles, Matthew M. Graham, Mosè Giordano, Tuomas Koskela, Alexandros Beskos, and Serge Guillas
Geosci. Model Dev., 17, 2427–2445, https://doi.org/10.5194/gmd-17-2427-2024, https://doi.org/10.5194/gmd-17-2427-2024, 2024
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Digital twins of physical and human systems informed by real-time data are becoming ubiquitous across a wide range of settings. Progress for researchers is currently limited by a lack of tools to run these models effectively and efficiently. A key challenge is the optimal use of high-performance computing environments. The work presented here focuses on a developed open-source software platform which aims to improve this usage, with an emphasis placed on flexibility, efficiency, and scalability.
Fernanda Alvarado-Neves, Laurent Ailleres, Lachlan Grose, Alexander R. Cruden, and Robin Armit
Geosci. Model Dev., 17, 1975–1993, https://doi.org/10.5194/gmd-17-1975-2024, https://doi.org/10.5194/gmd-17-1975-2024, 2024
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Previous work has demonstrated that adding geological knowledge to modelling methods creates more accurate and reliable models. Following this reasoning, we added constraints from magma emplacement mechanisms into existing modelling frameworks to improve the 3D characterisation of igneous intrusions. We tested the method on synthetic and real-world case studies, and the results show that our method can reproduce intrusion morphologies with no manual processing and using realistic datasets.
André R. Brodtkorb, Anna Benedictow, Heiko Klein, Arve Kylling, Agnes Nyiri, Alvaro Valdebenito, Espen Sollum, and Nina Kristiansen
Geosci. Model Dev., 17, 1957–1974, https://doi.org/10.5194/gmd-17-1957-2024, https://doi.org/10.5194/gmd-17-1957-2024, 2024
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It is vital to know the extent and concentration of volcanic ash in the atmosphere during a volcanic eruption. Whilst satellite imagery may give an estimate of the ash right now (assuming no cloud coverage), we also need to know where it will be in the coming hours. This paper presents a method for estimating parameters for a volcanic eruption based on satellite observations of ash in the atmosphere. The software package is open source and applicable to similar inversion scenarios.
Kees Nederhoff, Maarten van Ormondt, Jay Veeramony, Ap van Dongeren, José Antonio Álvarez Antolínez, Tim Leijnse, and Dano Roelvink
Geosci. Model Dev., 17, 1789–1811, https://doi.org/10.5194/gmd-17-1789-2024, https://doi.org/10.5194/gmd-17-1789-2024, 2024
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Forecasting tropical cyclones and their flooding impact is challenging. Our research introduces the Tropical Cyclone Forecasting Framework (TC-FF), enhancing cyclone predictions despite uncertainties. TC-FF generates global wind and flood scenarios, valuable even in data-limited regions. Applied to cases like Cyclone Idai, it showcases potential in bettering disaster preparation, marking progress in handling cyclone threats.
Younghun Kang and Ethan J. Kubatko
Geosci. Model Dev., 17, 1603–1625, https://doi.org/10.5194/gmd-17-1603-2024, https://doi.org/10.5194/gmd-17-1603-2024, 2024
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Models used to simulate the flow of coastal and riverine waters, including flooding, require a geometric representation (or mesh) of geographic features that exhibit a range of disparate spatial scales from large, open waters to small, narrow channels. Representing these features in an accurate way without excessive computational overhead presents a challenge. Here, we develop an automatic mesh generation tool to help address this challenge. Our results demonstrate the efficacy of our approach.
Hui Wan, Kai Zhang, Christopher J. Vogl, Carol S. Woodward, Richard C. Easter, Philip J. Rasch, Yan Feng, and Hailong Wang
Geosci. Model Dev., 17, 1387–1407, https://doi.org/10.5194/gmd-17-1387-2024, https://doi.org/10.5194/gmd-17-1387-2024, 2024
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Sophisticated numerical models of the Earth's atmosphere include representations of many physical and chemical processes. In numerical simulations, these processes need to be calculated in a certain sequence. This study reveals the weaknesses of the sequence of calculations used for aerosol processes in a global atmosphere model. A revision of the sequence is proposed and its impacts on the simulated global aerosol climatology are evaluated.
Christopher J. Vogl, Hui Wan, Carol S. Woodward, and Quan M. Bui
Geosci. Model Dev., 17, 1409–1428, https://doi.org/10.5194/gmd-17-1409-2024, https://doi.org/10.5194/gmd-17-1409-2024, 2024
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Generally speaking, accurate climate simulation requires an accurate evolution of the underlying mathematical equations on large computers. The equations are typically formulated and evolved in process groups. Process coupling refers to how the evolution of each group is combined with that of other groups to evolve the full set of equations for the whole atmosphere. This work presents a mathematical framework to evaluate methods without the need to first implement the methods.
Tom Keel, Chris Brierley, and Tamsin Edwards
Geosci. Model Dev., 17, 1229–1247, https://doi.org/10.5194/gmd-17-1229-2024, https://doi.org/10.5194/gmd-17-1229-2024, 2024
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Jet streams are an important control on surface weather as their speed and shape can modify the properties of weather systems. Establishing trends in the operation of jet streams may provide some indication of the future of weather in a warming world. Despite this, it has not been easy to establish trends, as many methods have been used to characterise them in data. We introduce a tool containing various implementations of jet stream statistics and algorithms that works in a standardised manner.
Amir Golparvar, Matthias Kästner, and Martin Thullner
Geosci. Model Dev., 17, 881–898, https://doi.org/10.5194/gmd-17-881-2024, https://doi.org/10.5194/gmd-17-881-2024, 2024
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Coupled reaction transport modelling is an established and beneficial method for studying natural and synthetic porous material, with applications ranging from industrial processes to natural decompositions in terrestrial environments. Up to now, a framework that explicitly considers the porous structure (e.g. from µ-CT images) for modelling the transport of reactive species is missing. We presented a model that overcomes this limitation and represents a novel numerical simulation toolbox.
Stefan Hergarten
Geosci. Model Dev., 17, 781–794, https://doi.org/10.5194/gmd-17-781-2024, https://doi.org/10.5194/gmd-17-781-2024, 2024
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The Voellmy rheology has been widely used for simulating snow and rock avalanches. Recently, a modified version of this rheology was proposed, which turned out to be able to predict the observed long runout of large rock avalanches theoretically. The software MinVoellmy presented here is the first numerical implementation of the modified rheology. It consists of MATLAB and Python classes, where simplicity and parsimony were the design goals.
Arjun Babu Nellikkattil, Danielle Lemmon, Travis Allen O'Brien, June-Yi Lee, and Jung-Eun Chu
Geosci. Model Dev., 17, 301–320, https://doi.org/10.5194/gmd-17-301-2024, https://doi.org/10.5194/gmd-17-301-2024, 2024
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This study introduces a new computational framework called Scalable Feature Extraction and Tracking (SCAFET), designed to extract and track features in climate data. SCAFET stands out by using innovative shape-based metrics to identify features without relying on preconceived assumptions about the climate model or mean state. This approach allows more accurate comparisons between different models and scenarios.
Mohammad Mortezazadeh, Jean-François Cossette, Ashu Dastoor, Jean de Grandpré, Irena Ivanova, and Abdessamad Qaddouri
Geosci. Model Dev., 17, 335–346, https://doi.org/10.5194/gmd-17-335-2024, https://doi.org/10.5194/gmd-17-335-2024, 2024
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The interpolation process is the most computationally expensive step of the semi-Lagrangian (SL) approach. In this paper we implement a new interpolation scheme into the semi-Lagrangian approach which has the same computational cost as a third-order polynomial scheme but with the accuracy of a fourth-order interpolation scheme. This improvement is achieved by using two third-order backward and forward polynomial interpolation schemes in two consecutive time steps.
Boris Gailleton, Luca C. Malatesta, Guillaume Cordonnier, and Jean Braun
Geosci. Model Dev., 17, 71–90, https://doi.org/10.5194/gmd-17-71-2024, https://doi.org/10.5194/gmd-17-71-2024, 2024
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This contribution presents a new method to numerically explore the evolution of mountain ranges and surrounding areas. The method helps in monitoring with details on the timing and travel path of material eroded from the mountain ranges. It is particularly well suited to studies juxtaposing different domains – lakes or multiple rock types, for example – and enables the combination of different processes.
Denise Degen, Daniel Caviedes Voullième, Susanne Buiter, Harrie-Jan Hendricks Franssen, Harry Vereecken, Ana González-Nicolás, and Florian Wellmann
Geosci. Model Dev., 16, 7375–7409, https://doi.org/10.5194/gmd-16-7375-2023, https://doi.org/10.5194/gmd-16-7375-2023, 2023
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In geosciences, we often use simulations based on physical laws. These simulations can be computationally expensive, which is a problem if simulations must be performed many times (e.g., to add error bounds). We show how a novel machine learning method helps to reduce simulation time. In comparison to other approaches, which typically only look at the output of a simulation, the method considers physical laws in the simulation itself. The method provides reliable results faster than standard.
Carlos Spa, Otilio Rojas, and Josep de la Puente
Geosci. Model Dev., 16, 7237–7252, https://doi.org/10.5194/gmd-16-7237-2023, https://doi.org/10.5194/gmd-16-7237-2023, 2023
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This paper develops a calibration methodology of all absorbing techniques typically used by Fourier pseudo-spectral time-domain (PSTD) methods for geoacoustic wave simulations. The main contributions of the paper are (a) an implementation and quantitative comparison of all absorbing techniques available for PSTD methods through a simple and robust numerical experiment, and (b) a validation of these absorbing techniques in several 3-D seismic scenarios with gradual heterogeneity complexities.
Michael Hillier, Florian Wellmann, Eric A. de Kemp, Boyan Brodaric, Ernst Schetselaar, and Karine Bédard
Geosci. Model Dev., 16, 6987–7012, https://doi.org/10.5194/gmd-16-6987-2023, https://doi.org/10.5194/gmd-16-6987-2023, 2023
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Neural networks can be used effectively to model three-dimensional geological structures from point data, sampling geological interfaces, units, and structural orientations. Existing neural network approaches for this type of modelling are advanced by the efficient incorporation of unconformities, new knowledge inputs, and improved data fitting techniques. These advances permit the modelling of more complex geology in diverse geological settings, different-sized areas, and various data regimes.
Gianandrea Mannarini, Mario Leonardo Salinas, Lorenzo Carelli, Nicola Petacco, and Josip Orović
EGUsphere, https://doi.org/10.5194/egusphere-2023-2060, https://doi.org/10.5194/egusphere-2023-2060, 2023
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Ship weather routing has the potential to reduce CO2 emissions, but it currently lacks open and verifiable research. The Python-refactored VISIR-2 model considers currents, waves, and wind to optimise routes. The model was validated and its computational performance is now quasi-linear. VISIR-2 yields, for more than ten days in a year, two-digit savings for a ferry sailing in the Mediterranean Sea. Sailboat routes with wind and currents can be optimised as well.
Soyoung Ha, Jonathan J. Guerrette, Ivette Hernandez Banos, William C. Skamarock, and Michael G. Duda
EGUsphere, https://doi.org/10.5194/egusphere-2023-2299, https://doi.org/10.5194/egusphere-2023-2299, 2023
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To mitigate the imbalances in the initial conditions, this study introduces our recent implementation of the the incremental analysis update (IAU) in the Model for Prediction Across Scales for the Atmospheric component (MPAS-A), coupled with the Joint Effort for Data assimilation Integration (JEDI), through the cycling system. A month-long cycling run demonstrates the successful implementation of the IAU capability in the MPAS-JEDI cycling system.
Tor Nordam, Ruben Kristiansen, Raymond Nepstad, Erik van Sebille, and Andy M. Booth
Geosci. Model Dev., 16, 5339–5363, https://doi.org/10.5194/gmd-16-5339-2023, https://doi.org/10.5194/gmd-16-5339-2023, 2023
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We describe and compare two common methods, Eulerian and Lagrangian models, used to simulate the vertical transport of material in the ocean. They both solve the same transport problems but use different approaches for representing the underlying equations on the computer. The main focus of our study is on the numerical accuracy of the two approaches. Our results should be useful for other researchers creating or using these types of transport models.
Mathieu Gravey and Grégoire Mariethoz
Geosci. Model Dev., 16, 5265–5279, https://doi.org/10.5194/gmd-16-5265-2023, https://doi.org/10.5194/gmd-16-5265-2023, 2023
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Multiple‐point geostatistics are widely used to simulate complex spatial structures based on a training image. The use of these methods relies on the possibility of finding optimal training images and parametrization of the simulation algorithms. Here, we propose finding an optimal set of parameters using only the training image as input. The main advantage of our approach is to remove the risk of overfitting an objective function.
Siting Li, Ping Wang, Hong Wang, Yue Peng, Zhaodong Liu, Wenjie Zhang, Hongli Liu, Yaqiang Wang, Huizheng Che, and Xiaoye Zhang
Geosci. Model Dev., 16, 4171–4191, https://doi.org/10.5194/gmd-16-4171-2023, https://doi.org/10.5194/gmd-16-4171-2023, 2023
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Optimizing the initial state of atmospheric chemistry model input is one of the most essential methods to improve forecast accuracy. Considering the large computational load of the model, we introduce an ensemble optimal interpolation scheme (EnOI) for operational use and efficient updating of the initial fields of chemical components. The results suggest that EnOI provides a practical and cost-effective technique for improving the accuracy of chemical weather numerical forecasts.
Thomas Richter, Véronique Dansereau, Christian Lessig, and Piotr Minakowski
Geosci. Model Dev., 16, 3907–3926, https://doi.org/10.5194/gmd-16-3907-2023, https://doi.org/10.5194/gmd-16-3907-2023, 2023
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Sea ice covers not only the pole regions but affects the weather and climate globally. For example, its white surface reflects more sunlight than land. The oceans around the poles are therefore kept cool, which affects the circulation in the oceans worldwide. Simulating the behavior and changes in sea ice on a computer is, however, very difficult. We propose a new computer simulation that better models how cracks in the ice change over time and show this by comparing to other simulations.
Federica Castino, Feijia Yin, Volker Grewe, Hiroshi Yamashita, Sigrun Matthes, Simone Dietmüller, Sabine Baumann, Manuel Soler, Abolfazl Simorgh, Maximilian Mendiguchia Meuser, Florian Linke, and Benjamin Lührs
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2023-88, https://doi.org/10.5194/gmd-2023-88, 2023
Revised manuscript accepted for GMD
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We introduce SolFinder 1.0, a decision-making tool to select trade-offs between different objective functions, including fuel use, flight time, NOx emissions, contrail distance, and climate impact. The module is included in the AirTraf 3.0 submodel, which optimizes trajectories under weather conditions simulated by an atmospheric model (EMAC). This paper focuses on the ability of the module to identify eco-efficient trajectories, which reduce the flights climate impact at limited cost penalties.
Emma J. MacKie, Michael Field, Lijing Wang, Zhen Yin, Nathan Schoedl, Matthew Hibbs, and Allan Zhang
Geosci. Model Dev., 16, 3765–3783, https://doi.org/10.5194/gmd-16-3765-2023, https://doi.org/10.5194/gmd-16-3765-2023, 2023
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Earth scientists often have to fill in spatial gaps in measurements. This gap-filling or interpolation can be accomplished with geostatistical methods, where the statistical relationships between measurements are used to inform how these gaps should be filled. Despite the broad utility of these methods, there are few freely available geostatistical software applications. We present GStatSim, a Python package for performing different geostatistical interpolation methods.
Ian Madden, Simone Marras, and Jenny Suckale
Geosci. Model Dev., 16, 3479–3500, https://doi.org/10.5194/gmd-16-3479-2023, https://doi.org/10.5194/gmd-16-3479-2023, 2023
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To aid risk managers who may wish to rapidly assess tsunami risk but may lack high-performance computing infrastructure, we provide an accessible software package able to rapidly model tsunami inundation over real topography by leveraging Google's Tensor Processing Unit, a high-performance hardware. Minimally trained users can take advantage of the rapid modeling abilities provided by this package via a web browser thanks to the ease of use of Google Cloud Platform.
Youtong Rong, Paul Bates, and Jeffrey Neal
Geosci. Model Dev., 16, 3291–3311, https://doi.org/10.5194/gmd-16-3291-2023, https://doi.org/10.5194/gmd-16-3291-2023, 2023
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A novel subgrid channel (SGC) model is developed for river–floodplain modelling, allowing utilization of subgrid-scale bathymetric information while performing computations on relatively coarse grids. By including adaptive artificial diffusion, potential numerical instability, which the original SGC solver had, in low-friction regions such as urban areas is addressed. Evaluation of the new SGC model through structured tests confirmed that the accuracy and stability have improved.
Xiaqiong Zhou and Hann-Ming Henry Juang
Geosci. Model Dev., 16, 3263–3274, https://doi.org/10.5194/gmd-16-3263-2023, https://doi.org/10.5194/gmd-16-3263-2023, 2023
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The National Centers for Environmental Prediction Global Forecast System version 16 experienced model instability failures in real-time runs resolved by increasing the minimum thickness depth parameter. Further investigation revealed that the issue was caused by the advection of geopotential heights at the model's layer interfaces. By replacing high-order boundary conditions with zero-gradient boundary conditions for interface-wind reconstruction, the instability was effectively addressed.
Grant T. Euen, Shangxin Liu, Rene Gassmöller, Timo Heister, and Scott D. King
Geosci. Model Dev., 16, 3221–3239, https://doi.org/10.5194/gmd-16-3221-2023, https://doi.org/10.5194/gmd-16-3221-2023, 2023
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Due to the increasing availability of high-performance computing over the past few decades, numerical models have become an important tool for research. Here we test two geodynamic codes that produce such models: ASPECT, a newer code, and CitcomS, an older one. We show that they produce solutions that are extremely close. As methods and codes become more complex over time, showing reproducibility allows us to seamlessly link previously known information to modern methodologies.
Mohammad Kazem Sharifian, Georges Kesserwani, Alovya Ahmed Chowdhury, Jeffrey Neal, and Paul Bates
Geosci. Model Dev., 16, 2391–2413, https://doi.org/10.5194/gmd-16-2391-2023, https://doi.org/10.5194/gmd-16-2391-2023, 2023
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This paper describes a new release of the LISFLOOD-FP model for fast and efficient flood simulations. It features a new non-uniform grid generator that uses multiwavelet analyses to sensibly coarsens the resolutions where the local topographic variations are smooth. Moreover, the model is parallelised on the graphical processing units (GPUs) to further boost computational efficiency. The performance of the model is assessed for five real-world case studies, noting its potential applications.
Bruno K. Zürcher
Geosci. Model Dev., 16, 1697–1711, https://doi.org/10.5194/gmd-16-1697-2023, https://doi.org/10.5194/gmd-16-1697-2023, 2023
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We present a novel algorithm to efficiently compute Barnes interpolation, which is a method for transforming data values recorded at irregularly spaced points into a corresponding regular grid. In contrast to naive implementations with an algorithmic complexity that depends on the product of the number of sample points and the number of grid points, our approach reduces this dependency to their sum.
David H. Marsico and Paul A. Ullrich
Geosci. Model Dev., 16, 1537–1551, https://doi.org/10.5194/gmd-16-1537-2023, https://doi.org/10.5194/gmd-16-1537-2023, 2023
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Climate models involve several different components, such as the atmosphere, ocean, and land models. Information needs to be exchanged, or remapped, between these models, and devising algorithms for performing this exchange is important for ensuring the accuracy of climate simulations. In this paper, we examine the efficacy of several traditional and novel approaches to remapping on the sphere and demonstrate where our approaches offer improvement.
Moritz Liebl, Jörg Robl, Stefan Hergarten, David Lundbek Egholm, and Kurt Stüwe
Geosci. Model Dev., 16, 1315–1343, https://doi.org/10.5194/gmd-16-1315-2023, https://doi.org/10.5194/gmd-16-1315-2023, 2023
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In this study, we benchmark a topography-based model for glacier erosion (OpenLEM) with a well-established process-based model (iSOSIA). Our experiments show that large-scale erosion patterns and particularly the transformation of valley length geometry from fluvial to glacial conditions are very similar in both models. This finding enables the application of OpenLEM to study the influence of climate and tectonics on glaciated mountains with reasonable computational effort on standard PCs.
James Kent, Thomas Melvin, and Golo Albert Wimmer
Geosci. Model Dev., 16, 1265–1276, https://doi.org/10.5194/gmd-16-1265-2023, https://doi.org/10.5194/gmd-16-1265-2023, 2023
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This paper introduces the Met Office's new shallow water model. The shallow water model is a building block towards the Met Office's new atmospheric dynamical core. The shallow water model is tested on a number of standard spherical shallow water test cases, including flow over mountains and unstable jets. Results show that the model produces similar results to other shallow water models in the literature.
Anthony Gruber, Max Gunzburger, Lili Ju, Rihui Lan, and Zhu Wang
Geosci. Model Dev., 16, 1213–1229, https://doi.org/10.5194/gmd-16-1213-2023, https://doi.org/10.5194/gmd-16-1213-2023, 2023
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This work applies a novel technical tool, multifidelity Monte Carlo (MFMC) estimation, to three climate-related benchmark experiments involving oceanic, atmospheric, and glacial modeling. By considering useful quantities such as maximum sea height and total (kinetic) energy, we show that MFMC leads to predictions which are more accurate and less costly than those obtained by standard methods. This suggests MFMC as a potential drop-in replacement for estimation in realistic climate models.
Piyoosh Jaysaval, Glenn E. Hammond, and Timothy C. Johnson
Geosci. Model Dev., 16, 961–976, https://doi.org/10.5194/gmd-16-961-2023, https://doi.org/10.5194/gmd-16-961-2023, 2023
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We present a robust and highly scalable implementation of numerical forward modeling and inversion algorithms for geophysical electrical resistivity tomography data. The implementation is publicly available and developed within the framework of PFLOTRAN (http://www.pflotran.org), an open-source, state-of-the-art massively parallel subsurface flow and transport simulation code. The paper details all the theoretical and implementation aspects of the new capabilities along with test examples.
Lucas Schauer, Michael J. Schmidt, Nicholas B. Engdahl, Stephen D. Pankavich, David A. Benson, and Diogo Bolster
Geosci. Model Dev., 16, 833–849, https://doi.org/10.5194/gmd-16-833-2023, https://doi.org/10.5194/gmd-16-833-2023, 2023
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We develop a multi-dimensional, parallelized domain decomposition strategy for mass-transfer particle tracking methods in two and three dimensions, investigate different procedures for decomposing the domain, and prescribe an optimal tiling based on physical problem parameters and the number of available CPU cores. For an optimally subdivided diffusion problem, the parallelized algorithm achieves nearly perfect linear speedup in comparison with the serial run-up to thousands of cores.
John Mern and Jef Caers
Geosci. Model Dev., 16, 289–313, https://doi.org/10.5194/gmd-16-289-2023, https://doi.org/10.5194/gmd-16-289-2023, 2023
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In this work, we formulate the sequential geoscientific data acquisition problem as a problem that is similar to playing chess against nature, except the pieces are not fully observed. Solutions to these problems are given in AI and rarely used in geoscientific data planning. We illustrate our approach to a simple 2D problem of mineral exploration.
Jevgenijs Steinbuks, Yongyang Cai, Jonas Jaegermeyr, and Thomas W. Hertel
EGUsphere, https://doi.org/10.5194/egusphere-2022-863, https://doi.org/10.5194/egusphere-2022-863, 2023
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This paper applies cutting-edge numerical methods to show how uncertain climate change and technological progress affect the future utilization of the scarce world's land resources. The paper's key insight is to illustrate how much global cropland will expand when future crop yields are unknown. The more uncertain the future crop yields are, the more forest conversion will be necessary to sustain human welfare. Some of that conversion takes place even when crop yields are not actually affected.
Ziqi Gao, Yifeng Wang, Petros Vasilakos, Cesunica E. Ivey, Khanh Do, and Armistead G. Russell
Geosci. Model Dev., 15, 9015–9029, https://doi.org/10.5194/gmd-15-9015-2022, https://doi.org/10.5194/gmd-15-9015-2022, 2022
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While the national ambient air quality standard of ozone is based on the 3-year average of the fourth highest 8 h maximum (MDA8) ozone concentrations, these predicted extreme values using numerical methods are always biased low. We built four computational models (GAM, MARS, random forest and SVR) to predict the fourth highest MDA8 ozone in Southern California using precursor emissions, meteorology and climatological patterns. All models presented acceptable performance, with GAM being the best.
Zhihao Wang, Jason Goetz, and Alexander Brenning
Geosci. Model Dev., 15, 8765–8784, https://doi.org/10.5194/gmd-15-8765-2022, https://doi.org/10.5194/gmd-15-8765-2022, 2022
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A lack of inventory data can be a limiting factor in developing landslide predictive models, which are crucial for supporting hazard policy and decision-making. We show how case-based reasoning and domain adaptation (transfer-learning techniques) can effectively retrieve similar landslide modeling situations for prediction in new data-scarce areas. Using cases in Italy, Austria, and Ecuador, our findings support the application of transfer learning for areas that require rapid model development.
Till Sachau, Haibin Yang, Justin Lang, Paul D. Bons, and Louis Moresi
Geosci. Model Dev., 15, 8749–8764, https://doi.org/10.5194/gmd-15-8749-2022, https://doi.org/10.5194/gmd-15-8749-2022, 2022
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Knowledge of the internal structures of the major continental ice sheets is improving, thanks to new investigative techniques. These structures are an essential indication of the flow behavior and dynamics of ice transport, which in turn is important for understanding the actual impact of the vast amounts of water trapped in continental ice sheets on global sea-level rise. The software studied here is specifically designed to simulate such structures and their evolution.
Keith J. Roberts, Alexandre Olender, Lucas Franceschini, Robert C. Kirby, Rafael S. Gioria, and Bruno S. Carmo
Geosci. Model Dev., 15, 8639–8667, https://doi.org/10.5194/gmd-15-8639-2022, https://doi.org/10.5194/gmd-15-8639-2022, 2022
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Finite-element methods (FEMs) permit the use of more flexible unstructured meshes but are rarely used in full waveform inversions (FWIs), an iterative process that reconstructs velocity models of earth’s subsurface, due to computational and memory storage costs. To reduce those costs, novel software is presented allowing the use of high-order mass-lumped FEMs on triangular meshes, together with a material-property mesh-adaptation performance-enhancing strategy, enabling its use in FWIs.
Konstantinos Papadakis, Yann Pfau-Kempf, Urs Ganse, Markus Battarbee, Markku Alho, Maxime Grandin, Maxime Dubart, Lucile Turc, Hongyang Zhou, Konstantinos Horaites, Ivan Zaitsev, Giulia Cozzani, Maarja Bussov, Evgeny Gordeev, Fasil Tesema, Harriet George, Jonas Suni, Vertti Tarvus, and Minna Palmroth
Geosci. Model Dev., 15, 7903–7912, https://doi.org/10.5194/gmd-15-7903-2022, https://doi.org/10.5194/gmd-15-7903-2022, 2022
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Vlasiator is a plasma simulation code that simulates the entire near-Earth space at a global scale. As 6D simulations require enormous amounts of computational resources, Vlasiator uses adaptive mesh refinement (AMR) to lighten the computational burden. However, due to Vlasiator’s grid topology, AMR simulations suffer from grid aliasing artifacts that affect the global results. In this work, we present and evaluate the performance of a mechanism for alleviating those artifacts.
Artur Safin, Damien Bouffard, Firat Ozdemir, Cintia L. Ramón, James Runnalls, Fotis Georgatos, Camille Minaudo, and Jonas Šukys
Geosci. Model Dev., 15, 7715–7730, https://doi.org/10.5194/gmd-15-7715-2022, https://doi.org/10.5194/gmd-15-7715-2022, 2022
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Reconciling the differences between numerical model predictions and observational data is always a challenge. In this paper, we investigate the viability of a novel approach to the calibration of a three-dimensional hydrodynamic model of Lake Geneva, where the target parameters are inferred in terms of distributions. We employ a filtering technique that generates physically consistent model trajectories and implement a neural network to enable bulk-to-skin temperature conversion.
Colin Grudzien and Marc Bocquet
Geosci. Model Dev., 15, 7641–7681, https://doi.org/10.5194/gmd-15-7641-2022, https://doi.org/10.5194/gmd-15-7641-2022, 2022
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Iterative optimization techniques, the state of the art in data assimilation, have largely focused on extending forecast accuracy to moderate- to long-range forecast systems. However, current methodology may not be cost-effective in reducing forecast errors in online, short-range forecast systems. We propose a novel optimization of these techniques for online, short-range forecast cycles, simultaneously providing an improvement in forecast accuracy and a reduction in the computational cost.
Yangyang Yu, Shaoqing Zhang, Haohuan Fu, Lixin Wu, Dexun Chen, Yang Gao, Zhiqiang Wei, Dongning Jia, and Xiaopei Lin
Geosci. Model Dev., 15, 6695–6708, https://doi.org/10.5194/gmd-15-6695-2022, https://doi.org/10.5194/gmd-15-6695-2022, 2022
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To understand the scientific consequence of perturbations caused by slave cores in heterogeneous computing environments, we examine the influence of perturbation amplitudes on the determination of the cloud bottom and cloud top and compute the probability density function (PDF) of generated clouds. A series of comparisons of the PDFs between homogeneous and heterogeneous systems show consistently acceptable error tolerances when using slave cores in heterogeneous computing environments.
Vijay S. Mahadevan, Jorge E. Guerra, Xiangmin Jiao, Paul Kuberry, Yipeng Li, Paul Ullrich, David Marsico, Robert Jacob, Pavel Bochev, and Philip Jones
Geosci. Model Dev., 15, 6601–6635, https://doi.org/10.5194/gmd-15-6601-2022, https://doi.org/10.5194/gmd-15-6601-2022, 2022
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Coupled Earth system models require transfer of field data between multiple components with varying spatial resolutions to determine the correct climate behavior. We present the Metrics for Intercomparison of Remapping Algorithms (MIRA) protocol to evaluate the accuracy, conservation properties, monotonicity, and local feature preservation of four different remapper algorithms for various unstructured mesh problems of interest. Future extensions to more practical use cases are also discussed.
Cited articles
Amundson, N. R., Caboussat, A., He, J. W., Martynenko, A. V., Savarin, V. B., Seinfeld, J. H., and Yoo, K. Y.: A new inorganic atmospheric aerosol phase equilibrium model (UHAERO), Atmos. Chem. Phys., 6, 975–992, https://doi.org/10.5194/acp-6-975-2006, 2006.
Anlauf, K., Li, S.-M., Leaitch, R., Brook, J., Hayden, K., Toom–Sauntry, D., and Wiebe, A.: Ionic composition and size characteristics of particles in the lower fraser valley: Pacific 2001 field study, Atmos. Environ., 40, 2662–2675, https://doi.org/10.1016/j.atmosenv.2005.12.027, 2006.
Ansari, A. S. and Pandis, S. N.: Prediction of multicomponent inorganic atmospheric aerosol behavior, Atmos. Environ., 33, 745–757, https://doi.org/10.1016/s1352-2310(98)00221-0, 1999a.
Ansari, A. S. and Pandis, S. N.: An analysis of four models predicting the partitioning of semivolatile inorganic aerosol components, Aerosol Sci. Technol., 31, 129–153, https://doi.org/10.1080/027868299304200, 1999b.
Atkinson, R. W., Mills, I. C., Walton, H. A., and Anderson, H. R.: Fine particle components and health – a systematic review and meta-analysis of epidemiological time series studies of Daily Mortality and hospital admissions, J. Expo. Sci. Env. Epid., 25, 208–214, https://doi.org/10.1038/jes.2014.63, 2014.
Bromley, L. A.: Thermodynamic properties of strong electrolytesin aqueous solutions, AIChE J., 19, 313–320, 1973.
Burden, R. L. and Faires, J. D.: Numerical analysis (9th ed.), Cengage Learing, Boston, MA, USA, 861 pp., ISBN 978-0-538-73351-9, 2011.
Capps, S. L., Henze, D. K., Hakami, A., Russell, A. G., and Nenes, A.: ANISORROPIA: the adjoint of the aerosol thermodynamic model ISORROPIA, Atmos. Chem. Phys., 12, 527–543, https://doi.org/10.5194/acp-12-527-2012, 2012.
Clegg, S. L. and Pitzer, K. S.: Thermodynamics of multicomponent, miscible, ionic solutions: Generalized equations for symmetrical electrolytes, J. Phys. Chem., 96, 3513–3520, https://doi.org/10.1021/j100187a061, 1992.
Community Modeling and Analysis System (CMAS, 2016): https://www.airqualitymodeling.org/index.php/CMAQv5.1_Isorropia, last access: 17 July 2023.
Denbigh, K.: The principles of chemical equilibrium, 4th edn., Cambridge University Press, Cambridge, 520 pp., ISBN 978-0521281508, 1981.
Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–NH
Fountoukis, C., Nenes, A., Sullivan, A., Weber, R., Van Reken, T., Fischer, M., Matías, E., Moya, M., Farmer, D., and Cohen, R. C.: Thermodynamic characterization of Mexico City aerosol during MILAGRO 2006, Atmos. Chem. Phys., 9, 2141–2156, https://doi.org/10.5194/acp-9-2141-2009, 2009.
GEOS-Chem 14.0.0, Zenodo [code], https://doi.org/10.5281/zenodo.7254288, 2022.
Harrison, R. M. and Pio, C. A.: Major ion composition and chemical associations of Inorganic Atmospheric Aerosols, Environ. Sci. Technol., 17, 169–174, https://doi.org/10.1021/es00109a009, 1983.
Heintzenberg, J.: Fine particles in the global troposphere a review, Tellus B, 41B, 149–160, https://doi.org/10.1111/j.1600-0889.1989.tb00132.x, 1989.
Hennigan, C. J., Izumi, J., Sullivan, A. P., Weber, R. J., and Nenes, A.: A critical evaluation of proxy methods used to estimate the acidity of atmospheric particles, Atmos. Chem. Phys., 15, 2775–2790, https://doi.org/10.5194/acp-15-2775-2015, 2015.
Irwin, J. G. and Williams, M. L.: Acid rain: Chemistry and transport, Environ. Pollut., 50, 29–59, https://doi.org/10.1016/0269-7491(88)90184-4, 1988.
Jacobson, M. Z.: Studying the effects of calcium and magnesium on size–distributed nitrate and ammonium with EQUISOLV II, Atmos. Environ., 33, 3635–3649, https://doi.org/10.1016/s1352-2310(99)00105-3, 1999.
Jacobson, M. Z.: Global direct radiative forcing due to multicomponent anthropogenic and natural aerosols. J. Geophys. Res.-Atmos., 106, 1551–1568, https://doi.org/10.1029/2000jd900514, 2001.
Kakavas, S., Pandis, S. N., and Nenes, A.: ISORROPIA–Lite: A comprehensive atmospheric aerosol thermodynamics module for Earth System Models, Tellus B, 74, 1, https://doi.org/10.16993/tellusb.33, 2022.
Kim, Y. P. and Seinfeld, J. H.: Atmospheric gas–aerosol equilibrium: III. Thermodynamics of crustal elements Ca2+, K+, and Mg2+, Aerosol Sci. Technol., 22, 93–110, https://doi.org/10.1080/02786829408959730, 1995.
Kim, Y. P., Seinfeld, J. H., and Saxena, P.: Atmospheric gas–aerosol equilibrium I. Thermodynamic model, Aerosol Sci. Technol., 19, 157–181, https://doi.org/10.1080/02786829308959628, 1993a.
Kim, Y. P., Seinfeld, J. H., and Saxena, P.: Atmospheric gas–aerosol equilibrium II. Analysis of common approximations and activity coefficient calculation methods, Aerosol Sci. Technol., 19, 182–198, https://doi.org/10.1080/02786829308959629, 1993b.
Kusik, C. L. and Meissner, H. P.: Electrolyte activity coefficients in inorganic processing, AIChE Symp. Series, 173, 14–20, 1978.
Lovett, G. M., Tear, T. H., Evers, D. C., Findlay, S. E. G., Cosby, B. J., Dunscomb, J. K., Driscoll, C. T., and Weathers, K. C: Effects of air pollution on ecosystems and biological diversity in the Eastern United States, Annals of the New York Academy of Sciences, 1162, 99–135, https://doi.org/10.1111/j.1749-6632.2009.04153.x, 2009.
Makar, P. A.: Fast use chemical numerics methods: the use of “vectorization by gridpoint”, in: Air Pollution III, Vol. 1, edited by: Moussiopoulos, H. N. and Brebbia, C. A., Computational Mechanics Publications, Southampton, 434 pp., 1995.
Makar, P. A., Wiebe, H. A., Staebler, R. M., Li, S. M., and Anlauf, K: Measurement and modeling of particle nitrate formation, J. Geophys. Res.-Atmos., 103, 13095–13110, https://doi.org/10.1029/98jd00978, 1998.
Makar, P. A., Bouchet, V. S., and Nenes, A.: Inorganic Chemistry calculations using HETV – a vectorized solver for the SO
Makar, P. A., Akingunola, A., Aherne, J., Cole, A. S., Aklilu, Y.-A., Zhang, J., Wong, I., Hayden, K., Li, S.-M., Kirk, J., Scott, K., Moran, M. D., Robichaud, A., Cathcart, H., Baratzedah, P., Pabla, B., Cheung, P., Zheng, Q., and Jeffries, D. S.: Estimates of exceedances of critical loads for acidifying deposition in Alberta and Saskatchewan, Atmos. Chem. Phys., 18, 9897–9927, https://doi.org/10.5194/acp-18-9897-2018, 2018.
Martin, S. T., Hung, H.-M., Park, R. J., Jacob, D. J., Spurr, R. J. D., Chance, K. V., and Chin, M.: Effects of the physical state of tropospheric ammonium-sulfate-nitrate particles on global aerosol direct radiative forcing, Atmos. Chem. Phys., 4, 183–214, https://doi.org/10.5194/acp-4-183-2004, 2004.
Meissner, H. P. and Peppas, N. A.: Activity coefficients – aqueous Solutions of polybasic acids and their salts, AIChE Journal, 19, 806–809, 1973.
Meng, Z., Seinfeld, J. H., Saxena, P., and Kim, Y. P.: Atmospheric gas–aerosol equilibrium: IV. Thermodynamics of carbonates, Aerosol Sci. Technol., 23, 131–154, https://doi.org/10.1080/02786829508965300, 1995.
Metzger, S., Mihalopoulos, N., and Lelieveld, J.: Importance of mineral cations and organics in gas-aerosol partitioning of reactive nitrogen compounds: case study based on MINOS results, Atmos. Chem. Phys., 6, 2549–2567, https://doi.org/10.5194/acp-6-2549-2006, 2006.
Miller, S.: HETP: An updated inorganic heterogeneous chemistry solver for metastable state based on ISORROPIA II, Zenodo [code], https://doi.org/10.5281/zenodo.8164704, 2024.
Nenes, A., Pandis, S. N., and Pilinis, C.: ISORROPIA: A New Thermodynamic Equilibrium Model for Multiphase Multicomponent Inorganic Aerosols, Aquat. Geochem., 4, 123–152, https://doi.org/10.1023/a:1009604003981, 1998.
Oliveira, I. F. and Takahashi, R. H.: An enhancement of the bisection method average performance preserving Minmax optimality, ACM Transactions on Mathematical Software, 47, 1–24, https://doi.org/10.1145/3423597, 2021.
Press, W. H., Teukolsky, S. A., Vetterling, W. T., Flannery B. P.,: Numerical Recipes The Art of Scientific Computing, 3rd edn., Cambridge University Press, Cambridge, UK, 1235 pp., ISBN 978-0-511-33555-6, 2007.
Pye, H. O., Liao, H., Wu, S., Mickley, L. J., Jacob, D. J., Henze, D. K., and Seinfeld, J. H.: Effect of changes in climate and emissions on future sulfate-nitrate-ammonium aerosol levels in the United States, J. Geophys. Res.-Atmos., 114, D01205, https://doi.org/10.1029/2008jd010701, 2009.
Pye, H. O. T., Nenes, A., Alexander, B., Ault, A. P., Barth, M. C., Clegg, S. L., Collett Jr., J. L., Fahey, K. M., Hennigan, C. J., Herrmann, H., Kanakidou, M., Kelly, J. T., Ku, I.-T., McNeill, V. F., Riemer, N., Schaefer, T., Shi, G., Tilgner, A., Walker, J. T., Wang, T., Weber, R., Xing, J., Zaveri, R. A., and Zuend, A.: The acidity of atmospheric particles and clouds, Atmos. Chem. Phys., 20, 4809–4888, https://doi.org/10.5194/acp-20-4809-2020, 2020.
Quan, J., Liu, Q., Li, X., Gao, Y., Jia, X., Sheng, J., and Liu, Y.: Effect of heterogeneous aqueous reactions on the secondary formation of inorganic aerosols during haze events, Atmos. Environ., 122, 306–312, https://doi.org/10.1016/j.atmosenv.2015.09.068, 2015.
Robinson R. A. and Stokes R. H.: Electrolyte solutions (revised 2nd ed.), Butterworths, London, 608 pp., ISBN 0486422259, 1965.
Rood, M. J., Shaw, M. A., Larson, T. V., and Covert, D. S.: Ubiquitous nature of ambient metastable aerosol, Nature, 337, 537–539, https://doi.org/10.1038/337537a0, 1989.
Saiz-Lopez, A., Plane, J. M., Baker, A. R., Carpenter, L. J., von Glasow, R., Gómez Martín, J. C., McFiggans, G., and Saunders, R. W.: Atmospheric chemistry of iodine, Chem. Rev., 112, 1773–1804, https://doi.org/10.1021/cr200029u, 2011.
Sander, R., Keene, W. C., Pszenny, A. A. P., Arimoto, R., Ayers, G. P., Baboukas, E., Cainey, J. M., Crutzen, P. J., Duce, R. A., Hönninger, G., Huebert, B. J., Maenhaut, W., Mihalopoulos, N., Turekian, V. C., and Van Dingenen, R.: Inorganic bromine in the marine boundary layer: a critical review, Atmos. Chem. Phys., 3, 1301–1336, https://doi.org/10.5194/acp-3-1301-2003, 2003.
Savoie, D. L. and Prospero, J. M.: Particle size distribution of nitrate and sulfate in the marine atmosphere, Geophys. Res. Lett., 9, 1207–1210, https://doi.org/10.1029/gl009i010p01207, 1982.
Schmale, J., Zieger, P., and Ekman, A. M.: Aerosols in current and future arctic climate, Nat. Clim. Change, 11, 95–105, https://doi.org/10.1038/s41558-020-00969-5, 2021.
Seinfeld, J. H. and Pandis, S. N.: Atmospheric Chemistry and physics: From air pollution to climate change, Wiley & Sons, 1152 pp., ISBN 978-1-118-94740-1, 2016.
Shaw, M. A. and Rood, M. J.: Measurement of the crystallization humidities of ambient aerosol particles, Atmos. Environ. A, 24, 1837–1841, https://doi.org/10.1016/0960-1686(90)90516-p, 1990.
Song, S., Gao, M., Xu, W., Shao, J., Shi, G., Wang, S., Wang, Y., Sun, Y., and McElroy, M. B.: Fine-particle pH for Beijing winter haze as inferred from different thermodynamic equilibrium models, Atmos. Chem. Phys., 18, 7423–7438, https://doi.org/10.5194/acp-18-7423-2018, 2018.
Spiegel, M. R., Lipschutz, S., and Liu, J.: Schaum's outlines – Mathematical Handbook of Formulas and Tables, 3rd Edn., The McGraw-Hill Companies, USA, 289 pp., ISBN 0-07-154856-4, 2009.
Tang, I. N., Fung, K. H., Imre, D. G., and Munkelwitz, H. R.: Phase transformation and metastability of hygroscopic microparticles, Aerosol Sci. Technol., 23, 443–453, https://doi.org/10.1080/02786829508965327, 1995.
United States Environmental Protection Agency (USEPA): CMAQ (Version 5.4), Zenodo [code], https://doi.org/10.5281/zenodo.7218076, 2022.
Wang, G., Wang, H., Yu, Y., Gao, S., Feng, J., Gao, S., and Wang, L.: Chemical characterization of water–soluble components of PM10 and PM2.5 atmospheric aerosols in five locations of Nanjing, China, Atmos. Environ., 37, 2893–2902, https://doi.org/10.1016/S1352-2310(03)00271-1, 2003.
Wang, K., Zhang, Y., Nenes, A., and Fountoukis, C.: Implementation of dust emission and chemistry into the Community Multiscale Air Quality modeling system and initial application to an Asian dust storm episode, Atmos. Chem. Phys., 12, 10209–10237, https://doi.org/10.5194/acp-12-10209-2012, 2012.
Wexler, A. S. and Clegg, S. L.: Atmospheric aerosol models for systems including the ions H+, NH
Zhang, Y., Seigneur, C., Seinfeld, J. H., Jacobson, M., Clegg, S. L., and Binkowski, F. S.: A comparative review of inorganic aerosol thermodynamic equilibrium modules: Similarities, differences, and their likely causes, Atmos. Environ., 34, 117–137, https://doi.org/10.1016/s1352-2310(99)00236-8, 2000.
Short summary
This work outlines a new solver written in Fortran to calculate the partitioning of metastable aerosols at thermodynamic equilibrium based on the forward algorithms of ISORROPIA II. The new code includes numerical improvements that decrease the computational speed (compared to ISORROPIA II) while improving the accuracy of the partitioning solution.
This work outlines a new solver written in Fortran to calculate the partitioning of metastable...
