Articles | Volume 17, issue 24
https://doi.org/10.5194/gmd-17-8955-2024
© 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-17-8955-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Model description paper
| 
19 Dec 2024
Model description paper |
| 19 Dec 2024
| 19 Dec 2024
Lambda-PFLOTRAN 1.0: a workflow for incorporating organic matter chemistry informed by ultra high resolution mass spectrometry into biogeochemical modeling
Katherine A. Muller
CORRESPONDING AUTHOR
Pacific Northwest National Laboratory, Richland, WA 99352, USA
Peishi Jiang
Pacific Northwest National Laboratory, Richland, WA 99352, USA
Glenn Hammond
Pacific Northwest National Laboratory, Richland, WA 99352, USA
Tasneem Ahmadullah
Pacific Northwest National Laboratory, Richland, WA 99352, USA
Hyun-Seob Song
Department of Biological Systems Engineering, University of Nebraska–Lincoln, Lincoln, NE, USA
Ravi Kukkadapu
Pacific Northwest National Laboratory, Richland, WA 99352, USA
Nicholas Ward
Pacific Northwest National Laboratory, Sequim, WA 98382, USA
Madison Bowe
Pacific Northwest National Laboratory, Sequim, WA 98382, USA
Rosalie K. Chu
Pacific Northwest National Laboratory, Richland, WA 99352, USA
Qian Zhao
Pacific Northwest National Laboratory, Richland, WA 99352, USA
Vanessa A. Garayburu-Caruso
Pacific Northwest National Laboratory, Richland, WA 99352, USA
Alan Roebuck
Pacific Northwest National Laboratory, Sequim, WA 98382, USA
Xingyuan Chen
Pacific Northwest National Laboratory, Richland, WA 99352, USA
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Robert E. Danczak, Amy E. Goldman, Mikayla A. Borton, Rosalie K. Chu, Jason G. Toyoda, Vanessa A. Garayburu-Caruso, Emily B. Graham, Joseph W. Morad, Lupita Renteria, Jacqueline R. Hager, Shai Arnon, Scott Brooks, Edo Bar-Zeev, Michael Jones, Nikki Jones, Jorg Lewandowski, Christof Meile, Birgit M. Muller, John Schalles, Hanna Schulz, Adam Ward, and James C. Stegen
EGUsphere, https://doi.org/10.1101/2024.01.10.575030, https://doi.org/10.1101/2024.01.10.575030, 2025
This preprint is open for discussion and under review for Biogeosciences (BG).
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As dissolved organic matter (DOM) is transported from land to the ocean through rivers, it interacts with the environment and some is converted to CO2. We used high-resolution carbon analysis to show that DOM from seven rivers exhibited ecological patterns particular to the corresponding river. These results indicate that local processes play an outsized role in shaping DOM. By understanding these interactions across environments, we can predict DOM across spatial scales or under perturbations.
Morgan E. Barnes, Jesse Alan Roebuck Jr., Samantha Grieger, Paul J. Aronstein, Vanessa A. Garayburu-Caruso, Kathleen Munson, Robert P. Young, Kevin D. Bladon, John D. Bailey, Emily B. Graham, Lupita Renteria, Peggy A. O'Day, Timothy D. Scheibe, and Allison N. Myers-Pigg
EGUsphere, https://doi.org/10.5194/egusphere-2025-21, https://doi.org/10.5194/egusphere-2025-21, 2025
This preprint is open for discussion and under review for Biogeosciences (BG).
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Wildfires impact nutrient cycles on land and in water. We used burning experiments to understand the types of phosphorous (P), an essential nutrient, that might be released to the environment after different types of fires. We found that the amount of P moving through the environment post-fire is dependent on the type of vegetation and degree of burning which may influence when and where this material is processed or stored.
William Kew, Allison Myers-Pigg, Christine H. Chang, Sean M. Colby, Josie Eder, Malak M. Tfaily, Jeffrey Hawkes, Rosalie K. Chu, and James C. Stegen
Biogeosciences, 21, 4665–4679, https://doi.org/10.5194/bg-21-4665-2024, https://doi.org/10.5194/bg-21-4665-2024, 2024
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Natural organic matter (NOM) is often studied via Fourier transform mass spectrometry (FTMS), which identifies organic molecules as mass spectra peaks. The intensity of peaks is data that is often discarded due to technical concerns. We review the theory behind these concerns and show they are supported empirically. However, simulations show that ecological analyses of NOM data that include FTMS peak intensities are often valid. This opens a path for robust use of FTMS peak intensities for NOM.
Michael Nole, Jonah Bartrand, Fawz Naim, and Glenn Hammond
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-162, https://doi.org/10.5194/gmd-2024-162, 2024
Revised manuscript accepted for GMD
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Safe carbon dioxide (CO2) storage is likely to be critical for mitigating some of the most dangerous effects of climate change. We present a simulation framework for modeling CO2 storage beneath the seafloor where CO2 can form a solid. This can aid in permanent CO2 storage for long periods of time. Our models show what a commercial-scale CO2 injection would look like in a marine environment. We discuss what would need to be considered when designing a sub-sea CO2 injection.
Sergi Molins, Benjamin Andre, Jeffrey Johnson, Glenn Hammond, Benjamin Sulman, Konstantin Lipnikov, Marcus Day, James Beisman, Daniil Svyatsky, Hang Deng, Peter Lichtner, Carl Steefel, and David Moulton
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-108, https://doi.org/10.5194/gmd-2024-108, 2024
Preprint under review for GMD
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Developing scientific software and making sure it functions properly requires a significant effort. As we advance our understanding of natural systems, however, there is the need to develop yet more complex models and codes. In this work, we present a piece of software that facilitates this work, specifically with regard to reactive processes. Existing tried-and-true codes are made available via this new interface, freeing up resources to focus on the new aspects of the problems at hand.
Mingjie Shi, Nate McDowell, Huilin Huang, Faria Zahura, Lingcheng Li, and Xingyuan Chen
EGUsphere, https://doi.org/10.22541/au.171053013.30286044/v2, https://doi.org/10.22541/au.171053013.30286044/v2, 2024
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Using Moderate Resolution Imaging Spectroradiometer data products, we quantitatively estimate the resistance and resilience of ecosystem functions to wildfires that occurred in the Columbia River Basin in 2015. Carbon state exhibits lower resistance and resilience than the ecosystem fluxes. The random forest feature importance analysis indicates that burn severity plays a minor role in the resilience of grassland, while it has a relatively major role in the resilience of forest and savanna.
Kristin Jones, Lenaïg Hemery, Nicholas Ward, Peter Regier, Mallory Ringham, and Matthew Eisaman
EGUsphere, https://doi.org/10.5194/egusphere-2024-972, https://doi.org/10.5194/egusphere-2024-972, 2024
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Ocean alkalinity enhancement is a marine carbon dioxide removal method that aims to mitigate the effects of climate change. This method causes localized increases in ocean pH, but the biological impacts of such changes are not well known. Our study investigated the response of two nearshore invertebrate species to increased pH and found the sea hare to be sensitive to pH changes, while the isopod was more resilient. Understanding interactions with biology is important as this field expands.
James Stegen, Amy Burgin, Michelle Busch, Joshua Fisher, Joshua Ladau, Jenna Abrahamson, Lauren Kinsman-Costello, Li Li, Xingyuan Chen, Thibault Datry, Nate McDowell, Corianne Tatariw, Anna Braswell, Jillian Deines, Julia Guimond, Peter Regier, Kenton Rod, Edward Bam, Etienne Fluet-Chouinard, Inke Forbrich, Kristin Jaeger, Teri O'Meara, Tim Scheibe, Erin Seybold, Jon Sweetman, Jianqiu Zheng, Daniel Allen, Elizabeth Herndon, Beth Middleton, Scott Painter, Kevin Roche, Julianne Scamardo, Ross Vander Vorste, Kristin Boye, Ellen Wohl, Margaret Zimmer, Kelly Hondula, Maggi Laan, Anna Marshall, and Kaizad Patel
EGUsphere, https://doi.org/10.5194/egusphere-2024-98, https://doi.org/10.5194/egusphere-2024-98, 2024
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The loss and gain of surface water (variable inundation) is a common process across Earth. Global change shifts variable inundation dynamics, highlighting a need for unified understanding that transcends individual variably inundated ecosystems (VIEs). We review literature, highlight challenges, and emphasize opportunities to generate transferable knowledge by viewing VIEs through a common lens. We aim to inspire the emergence of a cross-VIE community based on a proposed continuum approach.
Christian Lønborg, Cátia Carreira, Gwenaël Abril, Susana Agustí, Valentina Amaral, Agneta Andersson, Javier Arístegui, Punyasloke Bhadury, Mariana B. Bif, Alberto V. Borges, Steven Bouillon, Maria Ll. Calleja, Luiz C. Cotovicz Jr., Stefano Cozzi, Maryló Doval, Carlos M. Duarte, Bradley Eyre, Cédric G. Fichot, E. Elena García-Martín, Alexandra Garzon-Garcia, Michele Giani, Rafael Gonçalves-Araujo, Renee Gruber, Dennis A. Hansell, Fuminori Hashihama, Ding He, Johnna M. Holding, William R. Hunter, J. Severino P. Ibánhez, Valeria Ibello, Shan Jiang, Guebuem Kim, Katja Klun, Piotr Kowalczuk, Atsushi Kubo, Choon-Weng Lee, Cláudia B. Lopes, Federica Maggioni, Paolo Magni, Celia Marrase, Patrick Martin, S. Leigh McCallister, Roisin McCallum, Patricia M. Medeiros, Xosé Anxelu G. Morán, Frank E. Muller-Karger, Allison Myers-Pigg, Marit Norli, Joanne M. Oakes, Helena Osterholz, Hyekyung Park, Maria Lund Paulsen, Judith A. Rosentreter, Jeff D. Ross, Digna Rueda-Roa, Chiara Santinelli, Yuan Shen, Eva Teira, Tinkara Tinta, Guenther Uher, Masahide Wakita, Nicholas Ward, Kenta Watanabe, Yu Xin, Youhei Yamashita, Liyang Yang, Jacob Yeo, Huamao Yuan, Qiang Zheng, and Xosé Antón Álvarez-Salgado
Earth Syst. Sci. Data, 16, 1107–1119, https://doi.org/10.5194/essd-16-1107-2024, https://doi.org/10.5194/essd-16-1107-2024, 2024
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In this paper, we present the first edition of a global database compiling previously published and unpublished measurements of dissolved organic matter (DOM) collected in coastal waters (CoastDOM v1). Overall, the CoastDOM v1 dataset will be useful to identify global spatial and temporal patterns and to facilitate reuse in studies aimed at better characterizing local biogeochemical processes and identifying a baseline for modelling future changes in coastal waters.
Stephanie G. Fulton, Morgan Barnes, Mikayla A. Borton, Xingyuan Chen, Yuliya Farris, Brieanne Forbes, Vanessa A. Garayburu-Caruso, Amy E. Goldman, Samantha Grieger, Robert Hall Jr., Matthew H. Kaufman, Xinming Lin, Erin McCann, Sophia A. McKever, Allison Myers-Pigg, Opal C. Otenburg, Aaron C. Pelly, Huiying Ren, Lupita Renteria, Timothy D. Scheibe, Kyongho Son, Jerry Tagestad, Joshua M. Torgeson, and James C. Stegen
EGUsphere, https://doi.org/10.5194/egusphere-2023-3038, https://doi.org/10.5194/egusphere-2023-3038, 2024
Preprint archived
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This research examines oxygen use in rivers, which is central to the carbon cycle and water quality. The study focused on an environmentally diverse river basin in the western United States and found that oxygen use in river water was very slow and influenced by factors like water temperature and concentrations of nutrients and carbon in the water. Results suggest that in the study system, most of the oxygen use occurs via mechanisms directly or indirectly associated with riverbed sediments.
Emily B. Graham, Hyun-Seob Song, Samantha Grieger, Vanessa A. Garayburu-Caruso, James C. Stegen, Kevin D. Bladon, and Allison N. Myers-Pigg
Biogeosciences, 20, 3449–3457, https://doi.org/10.5194/bg-20-3449-2023, https://doi.org/10.5194/bg-20-3449-2023, 2023
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Intensifying wildfires are increasing pyrogenic organic matter (PyOM) production and its impact on water quality. Recent work indicates that PyOM may have a greater impact on aquatic biogeochemistry than previously assumed, driven by higher bioavailability. We provide a full assessment of the potential bioavailability of PyOM across its chemical spectrum. We indicate that PyOM can be actively transformed within the river corridor and, therefore, may be a growing source of riverine C emissions.
Peishi Jiang, Pin Shuai, Alexander Sun, Maruti K. Mudunuru, and Xingyuan Chen
Hydrol. Earth Syst. Sci., 27, 2621–2644, https://doi.org/10.5194/hess-27-2621-2023, https://doi.org/10.5194/hess-27-2621-2023, 2023
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We developed a novel deep learning approach to estimate the parameters of a computationally expensive hydrological model on only a few hundred realizations. Our approach leverages the knowledge obtained by data-driven analysis to guide the design of the deep learning model used for parameter estimation. We demonstrate this approach by calibrating a state-of-the-art hydrological model against streamflow and evapotranspiration observations at a snow-dominated watershed in Colorado.
James C. Stegen, Vanessa A. Garayburu-Caruso, Robert E. Danczak, Amy E. Goldman, Lupita Renteria, Joshua M. Torgeson, and Jacqueline Hager
Biogeosciences, 20, 2857–2867, https://doi.org/10.5194/bg-20-2857-2023, https://doi.org/10.5194/bg-20-2857-2023, 2023
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Chemical reactions in river sediments influence how clean the water is and how much greenhouse gas comes out of a river. Our study investigates why some sediments have higher rates of chemical reactions than others. We find that to achieve high rates, sediments need to have two things: only a few different kinds of molecules, but a lot of them. This result spans about 80 rivers such that it could be a general rule, helpful for predicting the future of rivers and our planet.
Heewon Jung, Hyun-Seob Song, and Christof Meile
Geosci. Model Dev., 16, 1683–1696, https://doi.org/10.5194/gmd-16-1683-2023, https://doi.org/10.5194/gmd-16-1683-2023, 2023
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Microbial activity responsible for many chemical transformations depends on environmental conditions. These can vary locally, e.g., between poorly connected pores in porous media. We present a modeling framework that resolves such small spatial scales explicitly, accounts for feedback between transport and biogeochemical conditions, and can integrate state-of-the-art representations of microbes in a computationally efficient way, making it broadly applicable in science and engineering use cases.
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.
Alexander Y. Sun, Peishi Jiang, Zong-Liang Yang, Yangxinyu Xie, and Xingyuan Chen
Hydrol. Earth Syst. Sci., 26, 5163–5184, https://doi.org/10.5194/hess-26-5163-2022, https://doi.org/10.5194/hess-26-5163-2022, 2022
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High-resolution river modeling is of great interest to local governments and stakeholders for flood-hazard mitigation. This work presents a physics-guided, machine learning (ML) framework for combining the strengths of high-resolution process-based river network models with a graph-based ML model capable of modeling spatiotemporal processes. Results show that the ML model can approximate the dynamics of the process model with high fidelity, and data fusion further improves the forecasting skill.
Manab Kumar Dutta, Krishnan Sreelash, Damodaran Padmalal, Nicholas D. Ward, and Thomas S. Bianchi
Biogeosciences Discuss., https://doi.org/10.5194/bg-2022-200, https://doi.org/10.5194/bg-2022-200, 2022
Revised manuscript not accepted
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Indian estuaries contribute to 2.62 % and 1.09 % of global riverine DIC and DOC export to the ocean, respectively. Major Indian estuaries emit ~9718 Gg yr-1 and 3.27 Gg yr-1 of CO2 and CH4 to the atmosphere, respectively, which contributes ~0.67 % and ~0.12 % to global CO2 and CH4 outgassing from estuaries.
James C. Stegen, Sarah J. Fansler, Malak M. Tfaily, Vanessa A. Garayburu-Caruso, Amy E. Goldman, Robert E. Danczak, Rosalie K. Chu, Lupita Renteria, Jerry Tagestad, and Jason Toyoda
Biogeosciences, 19, 3099–3110, https://doi.org/10.5194/bg-19-3099-2022, https://doi.org/10.5194/bg-19-3099-2022, 2022
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Rivers are vital to Earth, and in rivers, organic matter (OM) is an energy source for microbes that make greenhouse gas and remove contaminants. Predicting Earth’s future requires understanding how and why river OM is transformed. Our results help meet this need. We found that the processes influencing OM transformations diverge between river water and riverbed sediments. This can be used to build new models for predicting the future of rivers and, in turn, the Earth system.
Pin Shuai, Xingyuan Chen, Utkarsh Mital, Ethan T. Coon, and Dipankar Dwivedi
Hydrol. Earth Syst. Sci., 26, 2245–2276, https://doi.org/10.5194/hess-26-2245-2022, https://doi.org/10.5194/hess-26-2245-2022, 2022
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Using an integrated watershed model, we compared simulated watershed hydrologic variables driven by three publicly available gridded meteorological forcings (GMFs) at various spatial and temporal resolutions. Our results demonstrated that spatially distributed variables are sensitive to the spatial resolution of the GMF. The temporal resolution of the GMF impacts the dynamics of watershed responses. The choice of GMF depends on the quantity of interest and its spatial and temporal scales.
Huiying Ren, Erol Cromwell, Ben Kravitz, and Xingyuan Chen
Hydrol. Earth Syst. Sci., 26, 1727–1743, https://doi.org/10.5194/hess-26-1727-2022, https://doi.org/10.5194/hess-26-1727-2022, 2022
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We used a deep learning method called long short-term memory (LSTM) to fill gaps in data collected by hydrologic monitoring networks. LSTM accounted for correlations in space and time and nonlinear trends in data. Compared to a traditional regression-based time-series method, LSTM performed comparably when filling gaps in data with smooth patterns, while it better captured highly dynamic patterns in data. Capturing such dynamics is critical for understanding dynamic complex system behaviors.
Glenn E. Hammond
Geosci. Model Dev., 15, 1659–1676, https://doi.org/10.5194/gmd-15-1659-2022, https://doi.org/10.5194/gmd-15-1659-2022, 2022
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This paper describes a simplified interface for implementing and testing new chemical reactions within the reactive transport simulator PFLOTRAN. The paper describes the interface, providing example code for the interface. The paper includes several chemical reactions implemented through the interface.
Aditi Sengupta, Sarah J. Fansler, Rosalie K. Chu, Robert E. Danczak, Vanessa A. Garayburu-Caruso, Lupita Renteria, Hyun-Seob Song, Jason Toyoda, Jacqueline Hager, and James C. Stegen
Biogeosciences, 18, 4773–4789, https://doi.org/10.5194/bg-18-4773-2021, https://doi.org/10.5194/bg-18-4773-2021, 2021
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Conceptual models link microbes with the environment but are untested. We test a recent model using riverbed sediments. We exposed sediments to disturbances, going dry and becoming wet again. As the length of dry conditions got longer, there was a sudden shift in the ecology of microbes, chemistry of organic matter, and rates of microbial metabolism. We propose a new model based on feedbacks initiated by disturbance that cascade across biological, chemical, and functional aspects of the system.
Haifan Liu, Heng Dai, Jie Niu, Bill X. Hu, Dongwei Gui, Han Qiu, Ming Ye, Xingyuan Chen, Chuanhao Wu, Jin Zhang, and William Riley
Hydrol. Earth Syst. Sci., 24, 4971–4996, https://doi.org/10.5194/hess-24-4971-2020, https://doi.org/10.5194/hess-24-4971-2020, 2020
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It is still challenging to apply the quantitative and comprehensive global sensitivity analysis method to complex large-scale process-based hydrological models because of variant uncertainty sources and high computational cost. This work developed a new tool and demonstrate its implementation to a pilot example for comprehensive global sensitivity analysis of large-scale hydrological modelling. This method is mathematically rigorous and can be applied to other large-scale hydrological models.
Yilin Fang, Xingyuan Chen, Jesus Gomez Velez, Xuesong Zhang, Zhuoran Duan, Glenn E. Hammond, Amy E. Goldman, Vanessa A. Garayburu-Caruso, and Emily B. Graham
Geosci. Model Dev., 13, 3553–3569, https://doi.org/10.5194/gmd-13-3553-2020, https://doi.org/10.5194/gmd-13-3553-2020, 2020
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Surface water quality along river corridors can be improved by the area of the stream bed and stream bank in which stream water mixes with shallow groundwater or hyporheic zones (HZs). These zones are ubiquitous and dominated by microorganisms that can process the dissolved nutrients exchanged at this interface of these zones. The modulation of surface water quality can be simulated by connecting the channel water and HZs through hyporheic exchanges using multirate mass transfer representation.
Adam S. Ward, Steven M. Wondzell, Noah M. Schmadel, Skuyler Herzog, Jay P. Zarnetske, Viktor Baranov, Phillip J. Blaen, Nicolai Brekenfeld, Rosalie Chu, Romain Derelle, Jennifer Drummond, Jan H. Fleckenstein, Vanessa Garayburu-Caruso, Emily Graham, David Hannah, Ciaran J. Harman, Jase Hixson, Julia L. A. Knapp, Stefan Krause, Marie J. Kurz, Jörg Lewandowski, Angang Li, Eugènia Martí, Melinda Miller, Alexander M. Milner, Kerry Neil, Luisa Orsini, Aaron I. Packman, Stephen Plont, Lupita Renteria, Kevin Roche, Todd Royer, Catalina Segura, James Stegen, Jason Toyoda, Jacqueline Hager, and Nathan I. Wisnoski
Hydrol. Earth Syst. Sci., 23, 5199–5225, https://doi.org/10.5194/hess-23-5199-2019, https://doi.org/10.5194/hess-23-5199-2019, 2019
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The movement of water and solutes between streams and their shallow, connected subsurface is important to many ecosystem functions. These exchanges are widely expected to vary with stream flow across space and time, but these assumptions are seldom tested across basin scales. We completed more than 60 experiments across a 5th-order river basin to document these changes, finding patterns in space but not time. We conclude space-for-time and time-for-space substitutions are not good assumptions.
Adam S. Ward, Jay P. Zarnetske, Viktor Baranov, Phillip J. Blaen, Nicolai Brekenfeld, Rosalie Chu, Romain Derelle, Jennifer Drummond, Jan H. Fleckenstein, Vanessa Garayburu-Caruso, Emily Graham, David Hannah, Ciaran J. Harman, Skuyler Herzog, Jase Hixson, Julia L. A. Knapp, Stefan Krause, Marie J. Kurz, Jörg Lewandowski, Angang Li, Eugènia Martí, Melinda Miller, Alexander M. Milner, Kerry Neil, Luisa Orsini, Aaron I. Packman, Stephen Plont, Lupita Renteria, Kevin Roche, Todd Royer, Noah M. Schmadel, Catalina Segura, James Stegen, Jason Toyoda, Jacqueline Hager, Nathan I. Wisnoski, and Steven M. Wondzell
Earth Syst. Sci. Data, 11, 1567–1581, https://doi.org/10.5194/essd-11-1567-2019, https://doi.org/10.5194/essd-11-1567-2019, 2019
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Studies of river corridor exchange commonly focus on characterization of the physical, chemical, or biological system. As a result, complimentary systems and context are often lacking, which may limit interpretation. Here, we present a characterization of all three systems at 62 sites in a 5th-order river basin, including samples of surface water, hyporheic water, and sediment. These data will allow assessment of interacting processes in the river corridor.
Aditi Sengupta, Julia Indivero, Cailene Gunn, Malak M. Tfaily, Rosalie K. Chu, Jason Toyoda, Vanessa L. Bailey, Nicholas D. Ward, and James C. Stegen
Biogeosciences, 16, 3911–3928, https://doi.org/10.5194/bg-16-3911-2019, https://doi.org/10.5194/bg-16-3911-2019, 2019
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Coastal terrestrial–aquatic interfaces represent dynamic yet poorly understood zones of biogeochemical cycles. We evaluated associations between the soil salinity gradient, molecular-level soil-C chemistry, and microbial community assembly processes in a coastal watershed on the Olympic Peninsula in Washington, USA. Results revealed salinity-driven gradients in molecular-level C chemistry, with little evidence of an association between C chemistry and microbial community assembly processes.
Haifan Liu, Heng Dai, Jie Niu, Bill X. Hu, Han Qiu, Dongwei Gui, Ming Ye, Xingyuan Chen, Chuanhao Wu, Jin Zhang, and William Riley
Hydrol. Earth Syst. Sci. Discuss., https://doi.org/10.5194/hess-2019-246, https://doi.org/10.5194/hess-2019-246, 2019
Manuscript not accepted for further review
Gautam Bisht, William J. Riley, Glenn E. Hammond, and David M. Lorenzetti
Geosci. Model Dev., 11, 4085–4102, https://doi.org/10.5194/gmd-11-4085-2018, https://doi.org/10.5194/gmd-11-4085-2018, 2018
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Most existing global land surface models used to study impacts of climate change on water resources routinely use different models for near-surface unsaturated soil and the deeper groundwater table. We developed a model that uses a unified treatment of soil hydrologic processes throughout the entire soil column. Using a calibrated drainage parameter, the new model is able to correctly predict deep water table depth as reported in an observationally constrained global dataset.
Ryan D. Cook, Ying-Hsuan Lin, Zhuoyu Peng, Eric Boone, Rosalie K. Chu, James E. Dukett, Matthew J. Gunsch, Wuliang Zhang, Nikola Tolic, Alexander Laskin, and Kerri A. Pratt
Atmos. Chem. Phys., 17, 15167–15180, https://doi.org/10.5194/acp-17-15167-2017, https://doi.org/10.5194/acp-17-15167-2017, 2017
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Reactions occur within water in both atmospheric particles and cloud droplets, yet little is known about the organic compounds in cloud water. In this work, cloud water samples were collected at Whiteface Mountain, New York, and analyzed using ultra-high-resolution mass spectrometry to investigate the molecular composition of the dissolved organic compounds. The results focus on changes in cloud water composition with air mass origin – influences of forest, urban, and wildfire emissions.
Gautam Bisht, Maoyi Huang, Tian Zhou, Xingyuan Chen, Heng Dai, Glenn E. Hammond, William J. Riley, Janelle L. Downs, Ying Liu, and John M. Zachara
Geosci. Model Dev., 10, 4539–4562, https://doi.org/10.5194/gmd-10-4539-2017, https://doi.org/10.5194/gmd-10-4539-2017, 2017
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A fully coupled three-dimensional surface and subsurface land model, CP v1.0, was developed to simulate three-way interactions among river water, groundwater, and land surface processes. The coupled model can be used for improving mechanistic understanding of ecosystem functioning and biogeochemical cycling along river corridors under historical and future hydroclimatic changes. The dataset presented in this study can also serve as a good benchmarking case for testing other integrated models.
James C. Stegen, Carolyn G. Anderson, Ben Bond-Lamberty, Alex R. Crump, Xingyuan Chen, and Nancy Hess
Biogeosciences, 14, 4341–4354, https://doi.org/10.5194/bg-14-4341-2017, https://doi.org/10.5194/bg-14-4341-2017, 2017
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CO2 loss from soil to the atmosphere (
soil respiration) is a key ecosystem function, especially in systems with permafrost. We find that soil respiration shows a non-linear threshold at permafrost depths > 140 cm and that the number of large trees governs soil respiration. This suggests that remote sensing could be used to estimate spatial variation in soil respiration and (with knowledge of key thresholds) empirically constrain models that predict ecosystem responses to permafrost thaw.
Hui Wan, Kai Zhang, Philip J. Rasch, Balwinder Singh, Xingyuan Chen, and Jim Edwards
Geosci. Model Dev., 10, 537–552, https://doi.org/10.5194/gmd-10-537-2017, https://doi.org/10.5194/gmd-10-537-2017, 2017
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Solution reproductibility testing is an important task for assuring the software quality of a climate model. A new method is developed using the concept of numerical convergence with respect to temporal resolution. The method is objective, easy to implement, and computationally efficient. This paper describes the new test and demonstrates its utility in the Community Atmosphere Model version 5 (CAM5).
Related subject area
Biogeosciences
Systematic underestimation of type-specific ecosystem process variability in the Community Land Model v5 over Europe
An improved model for air–sea exchange of elemental mercury in MITgcm-ECCOv4-Hg: the role of surfactants and waves
BOATSv2: new ecological and economic features improve simulations of high seas catch and effort
A dynamical process-based model for quantifying global agricultural ammonia emissions – AMmonia–CLIMate v1.0 (AMCLIM v1.0) – Part 1: Land module for simulating emissions from synthetic fertilizer use
Simulating Ips typographus L. outbreak dynamics and their influence on carbon balance estimates with ORCHIDEE r8627
Biological nitrogen fixation of natural and agricultural vegetation simulated with LPJmL 5.7.9
Learning from conceptual models – a study of the emergence of cooperation towards resource protection in a social–ecological system
The biogeochemical model Biome-BGCMuSo v6.2 provides plausible and accurate simulations of the carbon cycle in central European beech forests
China Wildfire Emission (ChinaWED v1) for the period 2012–2022
DeepPhenoMem V1.0: deep learning modelling of canopy greenness dynamics accounting for multi-variate meteorological memory effects on vegetation phenology
Impacts of land-use change on biospheric carbon: an oriented benchmark using the ORCHIDEE land surface model
Implementing the iCORAL (version 1.0) coral reef CaCO3 production module in the iLOVECLIM climate model
Assimilation of carbonyl sulfide (COS) fluxes within the adjoint-based data assimilation system – Nanjing University Carbon Assimilation System (NUCAS v1.0)
Quantifying the role of ozone-caused damage to vegetation in the Earth system: a new parameterization scheme for photosynthetic and stomatal responses
Sources of Uncertainty in the Global Fire Model SPITFIRE: Development of LPJmL-SPITFIRE1.9 and Directions for Future Improvements
Radiocarbon analysis reveals underestimation of soil organic carbon persistence in new-generation soil models
Exploring the potential of history matching for land surface model calibration
EAT v1.0.0: a 1D test bed for physical–biogeochemical data assimilation in natural waters
Using deep learning to integrate paleoclimate and global biogeochemistry over the Phanerozoic Eon
A comprehensive land surface vegetation model for multi-stream data assimilation, D&B v1.0
Modelling boreal forest's mineral soil and peat C dynamics with the Yasso07 model coupled with the Ricker moisture modifier
Process-based Modeling of Solar-induced Chlorophyll Fluorescence with VISIT-SIF version 1.0
The unicellular NUM v.0.91: A trait-based plankton model evaluated in two contrasting biogeographic provinces
Dynamic ecosystem assembly and escaping the “fire trap” in the tropics: insights from FATES_15.0.0
In silico calculation of soil pH by SCEPTER v1.0
Simple process-led algorithms for simulating habitats (SPLASH v.2.0): robust calculations of water and energy fluxes
Satellite-based modeling of wetland methane emissions on a global scale (SatWetCH4 1.0)
A global behavioural model of human fire use and management: WHAM! v1.0
Terrestrial Ecosystem Model in R (TEMIR) version 1.0: simulating ecophysiological responses of vegetation to atmospheric chemical and meteorological changes
biospheremetrics v1.0.2: an R package to calculate two complementary terrestrial biosphere integrity indicators – human colonization of the biosphere (BioCol) and risk of ecosystem destabilization (EcoRisk)
Modeling boreal forest soil dynamics with the microbially explicit soil model MIMICS+ (v1.0)
Optimal enzyme allocation leads to the constrained enzyme hypothesis: the Soil Enzyme Steady Allocation Model (SESAM; v3.1)
Implementing a dynamic representation of fire and harvest including subgrid-scale heterogeneity in the tile-based land surface model CLASSIC v1.45
Inferring the tree regeneration niche from inventory data using a dynamic forest model
Optimising CH4 simulations from the LPJ-GUESS model v4.1 using an adaptive Markov chain Monte Carlo algorithm
The XSO framework (v0.1) and Phydra library (v0.1) for a flexible, reproducible, and integrated plankton community modeling environment in Python
AgriCarbon-EO v1.0.1: large-scale and high-resolution simulation of carbon fluxes by assimilation of Sentinel-2 and Landsat-8 reflectances using a Bayesian approach
SAMM version 1.0: a numerical model for microbial- mediated soil aggregate formation
A model of the within-population variability of budburst in forest trees
Computationally efficient parameter estimation for high-dimensional ocean biogeochemical models
The community-centered freshwater biogeochemistry model unified RIVE v1.0: a unified version for water column
Observation-based sowing dates and cultivars significantly affect yield and irrigation for some crops in the Community Land Model (CLM5)
The statistical emulators of GGCMI phase 2: responses of year-to-year variation of crop yield to CO2, temperature, water, and nitrogen perturbations
A novel Eulerian model based on central moments to simulate age and reactivity continua interacting with mixing processes
AdaScape 1.0: a coupled modelling tool to investigate the links between tectonics, climate, and biodiversity
An along-track Biogeochemical Argo modelling framework: a case study of model improvements for the Nordic seas
Peatland-VU-NUCOM (PVN 1.0): using dynamic plant functional types to model peatland vegetation, CH4, and CO2 emissions
Quantification of hydraulic trait control on plant hydrodynamics and risk of hydraulic failure within a demographic structured vegetation model in a tropical forest (FATES–HYDRO V1.0)
SedTrace 1.0: a Julia-based framework for generating and running reactive-transport models of marine sediment diagenesis specializing in trace elements and isotopes
A high-resolution marine mercury model MITgcm-ECCO2-Hg with online biogeochemistry
Christian Poppe Terán, Bibi S. Naz, Harry Vereecken, Roland Baatz, Rosie A. Fisher, and Harrie-Jan Hendricks Franssen
Geosci. Model Dev., 18, 287–317, https://doi.org/10.5194/gmd-18-287-2025, https://doi.org/10.5194/gmd-18-287-2025, 2025
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Carbon and water exchanges between the atmosphere and the land surface contribute to water resource availability and climate change mitigation. Land surface models, like the Community Land Model version 5 (CLM5), simulate these. This study finds that CLM5 and other data sets underestimate the magnitudes of and variability in carbon and water exchanges for the most abundant plant functional types compared to observations. It provides essential insights for further research into these processes.
Ling Li, Peipei Wu, Peng Zhang, Shaojian Huang, and Yanxu Zhang
Geosci. Model Dev., 17, 8683–8695, https://doi.org/10.5194/gmd-17-8683-2024, https://doi.org/10.5194/gmd-17-8683-2024, 2024
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In this study, we incorporate sea surfactants and wave-breaking processes into MITgcm-ECCOv4-Hg. The updated model shows increased fluxes in high-wind-speed and high-wave regions and vice versa, enhancing spatial heterogeneity. It shows that elemental mercury (Hg0) transfer velocity is more sensitive to wind speed. These findings may elucidate the discrepancies in previous estimations and offer insights into global Hg cycling.
Jerome Guiet, Daniele Bianchi, Kim J. N. Scherrer, Ryan F. Heneghan, and Eric D. Galbraith
Geosci. Model Dev., 17, 8421–8454, https://doi.org/10.5194/gmd-17-8421-2024, https://doi.org/10.5194/gmd-17-8421-2024, 2024
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The BiOeconomic mArine Trophic Size-spectrum (BOATSv2) model dynamically simulates global commercial fish populations and their coupling with fishing activity, as emerging from environmental and economic drivers. New features, including separate pelagic and demersal populations, iron limitation, and spatial variation of fishing costs and management, improve the accuracy of high seas fisheries. The updated model code is available to simulate both historical and future scenarios.
Jize Jiang, David S. Stevenson, and Mark A. Sutton
Geosci. Model Dev., 17, 8181–8222, https://doi.org/10.5194/gmd-17-8181-2024, https://doi.org/10.5194/gmd-17-8181-2024, 2024
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A special model called AMmonia–CLIMate (AMCLIM) has been developed to understand and calculate NH3 emissions from fertilizer use and also taking into account how the environment influences these NH3 emissions. It is estimated that about 17 % of applied N in fertilizers was lost due to NH3 emissions. Hot and dry conditions and regions with high-pH soils can expect higher NH3 emissions.
Guillaume Marie, Jina Jeong, Hervé Jactel, Gunnar Petter, Maxime Cailleret, Matthew J. McGrath, Vladislav Bastrikov, Josefine Ghattas, Bertrand Guenet, Anne Sofie Lansø, Kim Naudts, Aude Valade, Chao Yue, and Sebastiaan Luyssaert
Geosci. Model Dev., 17, 8023–8047, https://doi.org/10.5194/gmd-17-8023-2024, https://doi.org/10.5194/gmd-17-8023-2024, 2024
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This research looks at how climate change influences forests, and particularly how altered wind and insect activities could make forests emit instead of absorb carbon. We have updated a land surface model called ORCHIDEE to better examine the effect of bark beetles on forest health. Our findings suggest that sudden events, such as insect outbreaks, can dramatically affect carbon storage, offering crucial insights into tackling climate change.
Stephen Björn Wirth, Johanna Braun, Jens Heinke, Sebastian Ostberg, Susanne Rolinski, Sibyll Schaphoff, Fabian Stenzel, Werner von Bloh, Friedhelm Taube, and Christoph Müller
Geosci. Model Dev., 17, 7889–7914, https://doi.org/10.5194/gmd-17-7889-2024, https://doi.org/10.5194/gmd-17-7889-2024, 2024
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We present a new approach to modelling biological nitrogen fixation (BNF) in the Lund–Potsdam–Jena managed Land dynamic global vegetation model. While in the original approach BNF depended on actual evapotranspiration, the new approach considers soil water content and temperature, vertical root distribution, the nitrogen (N) deficit and carbon (C) costs. The new approach improved simulated BNF compared to the scientific literature and the model ability to project future C and N cycle dynamics.
Saeed Harati-Asl, Liliana Perez, and Roberto Molowny-Horas
Geosci. Model Dev., 17, 7423–7443, https://doi.org/10.5194/gmd-17-7423-2024, https://doi.org/10.5194/gmd-17-7423-2024, 2024
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Social–ecological systems are the subject of many sustainability problems. Because of the complexity of these systems, we must be careful when intervening in them; otherwise we may cause irreversible damage. Using computer models, we can gain insight about these complex systems without harming them. In this paper we describe how we connected an ecological model of forest insect infestation with a social model of cooperation and simulated an intervention measure to save a forest from infestation.
Katarína Merganičová, Ján Merganič, Laura Dobor, Roland Hollós, Zoltán Barcza, Dóra Hidy, Zuzana Sitková, Pavel Pavlenda, Hrvoje Marjanovic, Daniel Kurjak, Michal Bošel'a, Doroteja Bitunjac, Maša Zorana Ostrogović Sever, Jiří Novák, Peter Fleischer, and Tomáš Hlásny
Geosci. Model Dev., 17, 7317–7346, https://doi.org/10.5194/gmd-17-7317-2024, https://doi.org/10.5194/gmd-17-7317-2024, 2024
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We developed a multi-objective calibration approach leading to robust parameter values aiming to strike a balance between their local precision and broad applicability. Using the Biome-BGCMuSo model, we tested the calibrated parameter sets for simulating European beech forest dynamics across large environmental gradients. Leveraging data from 87 plots and five European countries, the results demonstrated reasonable local accuracy and plausible large-scale productivity responses.
Zhengyang Lin, Ling Huang, Hanqin Tian, Anping Chen, and Xuhui Wang
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-170, https://doi.org/10.5194/gmd-2024-170, 2024
Revised manuscript accepted for GMD
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Wildfires release large amounts of greenhouse gases, contributing to global warming. We developed a new model that provides near-real-time estimates of wildfire emissions in China. Our model improves the accuracy of burned area measurements and incorporates advanced data in fuel loads and emission factors. We found that most emissions come from agricultural fires, while emissions from forests and grasslands are decreasing. This model will help reduce the environmental impacts of wildfires.
Guohua Liu, Mirco Migliavacca, Christian Reimers, Basil Kraft, Markus Reichstein, Andrew D. Richardson, Lisa Wingate, Nicolas Delpierre, Hui Yang, and Alexander J. Winkler
Geosci. Model Dev., 17, 6683–6701, https://doi.org/10.5194/gmd-17-6683-2024, https://doi.org/10.5194/gmd-17-6683-2024, 2024
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Our study employs long short-term memory (LSTM) networks to model canopy greenness and phenology, integrating meteorological memory effects. The LSTM model outperforms traditional methods, enhancing accuracy in predicting greenness dynamics and phenological transitions across plant functional types. Highlighting the importance of multi-variate meteorological memory effects, our research pioneers unlock the secrets of vegetation phenology responses to climate change with deep learning techniques.
Thi Lan Anh Dinh, Daniel Goll, Philippe Ciais, and Ronny Lauerwald
Geosci. Model Dev., 17, 6725–6744, https://doi.org/10.5194/gmd-17-6725-2024, https://doi.org/10.5194/gmd-17-6725-2024, 2024
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The study assesses the performance of the dynamic global vegetation model (DGVM) ORCHIDEE in capturing the impact of land-use change on carbon stocks across Europe. Comparisons with observations reveal that the model accurately represents carbon fluxes and stocks. Despite the underestimations in certain land-use conversions, the model describes general trends in soil carbon response to land-use change, aligning with the site observations.
Nathaelle Bouttes, Lester Kwiatkowski, Manon Berger, Victor Brovkin, and Guy Munhoven
Geosci. Model Dev., 17, 6513–6528, https://doi.org/10.5194/gmd-17-6513-2024, https://doi.org/10.5194/gmd-17-6513-2024, 2024
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Coral reefs are crucial for biodiversity, but they also play a role in the carbon cycle on long time scales of a few thousand years. To better simulate the future and past evolution of coral reefs and their effect on the global carbon cycle, hence on atmospheric CO2 concentration, it is necessary to include coral reefs within a climate model. Here we describe the inclusion of coral reef carbonate production in a carbon–climate model and its validation in comparison to existing modern data.
Huajie Zhu, Mousong Wu, Fei Jiang, Michael Vossbeck, Thomas Kaminski, Xiuli Xing, Jun Wang, Weimin Ju, and Jing M. Chen
Geosci. Model Dev., 17, 6337–6363, https://doi.org/10.5194/gmd-17-6337-2024, https://doi.org/10.5194/gmd-17-6337-2024, 2024
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In this work, we developed the Nanjing University Carbon Assimilation System (NUCAS v1.0). Data assimilation experiments were conducted to demonstrate the robustness and investigate the feasibility and applicability of NUCAS. The assimilation of ecosystem carbonyl sulfide (COS) fluxes improved the model performance in gross primary productivity, evapotranspiration, and sensible heat, showing that COS provides constraints on parameters relevant to carbon-, water-, and energy-related processes.
Fang Li, Zhimin Zhou, Samuel Levis, Stephen Sitch, Felicity Hayes, Zhaozhong Feng, Peter B. Reich, Zhiyi Zhao, and Yanqing Zhou
Geosci. Model Dev., 17, 6173–6193, https://doi.org/10.5194/gmd-17-6173-2024, https://doi.org/10.5194/gmd-17-6173-2024, 2024
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A new scheme is developed to model the surface ozone damage to vegetation in regional and global process-based models. Based on 4210 data points from ozone experiments, it accurately reproduces statistically significant linear or nonlinear photosynthetic and stomatal responses to ozone in observations for all vegetation types. It also enables models to implicitly capture the variability in plant ozone tolerance and the shift among species within a vegetation type.
Luke Oberhagemann, Maik Billing, Werner von Bloh, Markus Drüke, Matthew Forrest, Simon P. K. Bowring, Jessica Hetzer, Jaime Ribalaygua Batalla, and Kirsten Thonicke
EGUsphere, https://doi.org/10.5194/egusphere-2024-1914, https://doi.org/10.5194/egusphere-2024-1914, 2024
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Under climate change, the conditions for wildfires to form are becoming more frequent in many parts of the world. To help predict how wildfires will change in future, global fire models are being developed. We analyze and further develop one such model, SPITFIRE. Our work identifies and corrects sources of substantial bias in the model that are important to the global fire modelling field. With this analysis and these developments, we help to provide a crucial platform for future developments.
Alexander S. Brunmayr, Frank Hagedorn, Margaux Moreno Duborgel, Luisa I. Minich, and Heather D. Graven
Geosci. Model Dev., 17, 5961–5985, https://doi.org/10.5194/gmd-17-5961-2024, https://doi.org/10.5194/gmd-17-5961-2024, 2024
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A new generation of soil models promises to more accurately predict the carbon cycle in soils under climate change. However, measurements of 14C (the radioactive carbon isotope) in soils reveal that the new soil models face similar problems to the traditional models: they underestimate the residence time of carbon in soils and may therefore overestimate the net uptake of CO2 by the land ecosystem. Proposed solutions include restructuring the models and calibrating model parameters with 14C data.
Nina Raoult, Simon Beylat, James M. Salter, Frédéric Hourdin, Vladislav Bastrikov, Catherine Ottlé, and Philippe Peylin
Geosci. Model Dev., 17, 5779–5801, https://doi.org/10.5194/gmd-17-5779-2024, https://doi.org/10.5194/gmd-17-5779-2024, 2024
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We use computer models to predict how the land surface will respond to climate change. However, these complex models do not always simulate what we observe in real life, limiting their effectiveness. To improve their accuracy, we use sophisticated statistical and computational techniques. We test a technique called history matching against more common approaches. This method adapts well to these models, helping us better understand how they work and therefore how to make them more realistic.
Jorn Bruggeman, Karsten Bolding, Lars Nerger, Anna Teruzzi, Simone Spada, Jozef Skákala, and Stefano Ciavatta
Geosci. Model Dev., 17, 5619–5639, https://doi.org/10.5194/gmd-17-5619-2024, https://doi.org/10.5194/gmd-17-5619-2024, 2024
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To understand and predict the ocean’s capacity for carbon sequestration, its ability to supply food, and its response to climate change, we need the best possible estimate of its physical and biogeochemical properties. This is obtained through data assimilation which blends numerical models and observations. We present the Ensemble and Assimilation Tool (EAT), a flexible and efficient test bed that allows any scientist to explore and further develop the state of the art in data assimilation.
Dongyu Zheng, Andrew S. Merdith, Yves Goddéris, Yannick Donnadieu, Khushboo Gurung, and Benjamin J. W. Mills
Geosci. Model Dev., 17, 5413–5429, https://doi.org/10.5194/gmd-17-5413-2024, https://doi.org/10.5194/gmd-17-5413-2024, 2024
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This study uses a deep learning method to upscale the time resolution of paleoclimate simulations to 1 million years. This improved resolution allows a climate-biogeochemical model to more accurately predict climate shifts. The method may be critical in developing new fully continuous methods that are able to be applied over a moving continental surface in deep time with high resolution at reasonable computational expense.
Wolfgang Knorr, Matthew Williams, Tea Thum, Thomas Kaminski, Michael Voßbeck, Marko Scholze, Tristan Quaife, Luke Smallmann, Susan Steele-Dunne, Mariette Vreugdenhil, Tim Green, Sönke Zähle, Mika Aurela, Alexandre Bouvet, Emanuel Bueechi, Wouter Dorigo, Tarek El-Madany, Mirco Migliavacca, Marika Honkanen, Yann Kerr, Anna Kontu, Juha Lemmetyinen, Hannakaisa Lindqvist, Arnaud Mialon, Tuuli Miinalainen, Gaetan Pique, Amanda Ojasalo, Shaun Quegan, Peter Rayner, Pablo Reyes-Muñoz, Nemesio Rodríguez-Fernández, Mike Schwank, Jochem Verrelst, Songyan Zhu, Dirk Schüttemeyer, and Matthias Drusch
EGUsphere, https://doi.org/10.5194/egusphere-2024-1534, https://doi.org/10.5194/egusphere-2024-1534, 2024
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When it comes to climate change, the land surfaces are where the vast majority of impacts happen. The task of monitoring those across the globe is formidable and must necessarily rely on satellites – at a significant cost: the measurements are only indirect and require comprehensive physical understanding. We have created a comprehensive modelling system that we offer to the research community to explore how satellite data can be better exploited to help us see what changes on our lands.
Boris Ťupek, Aleksi Lehtonen, Alla Yurova, Rose Abramoff, Bertrand Guenet, Elisa Bruni, Samuli Launiainen, Mikko Peltoniemi, Shoji Hashimoto, Xianglin Tian, Juha Heikkinen, Kari Minkkinen, and Raisa Mäkipää
Geosci. Model Dev., 17, 5349–5367, https://doi.org/10.5194/gmd-17-5349-2024, https://doi.org/10.5194/gmd-17-5349-2024, 2024
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Updating the Yasso07 soil C model's dependency on decomposition with a hump-shaped Ricker moisture function improved modelled soil organic C (SOC) stocks in a catena of mineral and organic soils in boreal forest. The Ricker function, set to peak at a rate of 1 and calibrated against SOC and CO2 data using a Bayesian approach, showed a maximum in well-drained soils. Using SOC and CO2 data together with the moisture only from the topsoil humus was crucial for accurate model estimates.
Tatsuya Miyauchi, Makoto Saito, Hibiki M. Noda, Akihiko Ito, Tomomichi Kato, and Tsuneo Matsunaga
EGUsphere, https://doi.org/10.5194/egusphere-2024-1542, https://doi.org/10.5194/egusphere-2024-1542, 2024
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Solar-induced chlorophyll fluorescence (SIF) is an effective indicator for monitoring photosynthetic activity. This paper introduces VISIT-SIF, a biogeochemical process-based model developed to represent the global SIF observed by GOSAT. Our model simulation reproduced the global distribution and seasonal variations of GOSAT SIF. The model can be utilized to improve photosynthetic process through the combination of biogeochemical modeling and GOSAT SIF.
Trine Frisbæk Hansen, Donald Eugene Canfield, Ken Haste Andersen, and Christian Jannik Bjerrum
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-53, https://doi.org/10.5194/gmd-2024-53, 2024
Revised manuscript accepted for GMD
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We describe and test the size-based NUM model, that define organisms by a single set of parameters, on planktonic unicellular ecosystems in a eutrophic and an oligotrophic site. Results show both sites can be modelled with similar parameters, and a robust performance over a wide range of parameters. The study show that the NUM model is useful for non-experts and applicable for modelling domains with limited ecosystem data. It holds promise for evolutionary scenarios and deep-time climate models.
Jacquelyn K. Shuman, Rosie A. Fisher, Charles Koven, Ryan Knox, Lara Kueppers, and Chonggang Xu
Geosci. Model Dev., 17, 4643–4671, https://doi.org/10.5194/gmd-17-4643-2024, https://doi.org/10.5194/gmd-17-4643-2024, 2024
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We adapt a fire behavior and effects module for use in a size-structured vegetation demographic model to test how climate, fire regime, and fire-tolerance plant traits interact to determine the distribution of tropical forests and grasslands. Our model captures the connection between fire disturbance and plant fire-tolerance strategies in determining plant distribution and provides a useful tool for understanding the vulnerability of these areas under changing conditions across the tropics.
Yoshiki Kanzaki, Isabella Chiaravalloti, Shuang Zhang, Noah J. Planavsky, and Christopher T. Reinhard
Geosci. Model Dev., 17, 4515–4532, https://doi.org/10.5194/gmd-17-4515-2024, https://doi.org/10.5194/gmd-17-4515-2024, 2024
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Soil pH is one of the most commonly measured agronomical and biogeochemical indices, mostly reflecting exchangeable acidity. Explicit simulation of both porewater and bulk soil pH is thus crucial to the accurate evaluation of alkalinity required to counteract soil acidification and the resulting capture of anthropogenic carbon dioxide through the enhanced weathering technique. This has been enabled by the updated reactive–transport SCEPTER code and newly developed framework to simulate soil pH.
David Sandoval, Iain Colin Prentice, and Rodolfo L. B. Nóbrega
Geosci. Model Dev., 17, 4229–4309, https://doi.org/10.5194/gmd-17-4229-2024, https://doi.org/10.5194/gmd-17-4229-2024, 2024
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Numerous estimates of water and energy balances depend on empirical equations requiring site-specific calibration, posing risks of "the right answers for the wrong reasons". We introduce novel first-principles formulations to calculate key quantities without requiring local calibration, matching predictions from complex land surface models.
Juliette Bernard, Marielle Saunois, Elodie Salmon, Philippe Ciais, Shushi Peng, Antoine Berchet, Penélope Serrano-Ortiz, Palingamoorthy Gnanamoorthy, and Joachim Jansen
EGUsphere, https://doi.org/10.5194/egusphere-2024-1331, https://doi.org/10.5194/egusphere-2024-1331, 2024
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Despite their importance, uncertainties remain in estimating methane emissions from wetlands. Here, a simplified model that operates at a global scale is developed. Taking advantage of advances in remote sensing data and in situ observations, the model effectively reproduces the spatial and temporal patterns of emissions, albeit with limitations in the tropics due to data scarcity. This model, while simple, can provide valuable insights for sensitivity analyses.
Oliver Perkins, Matthew Kasoar, Apostolos Voulgarakis, Cathy Smith, Jay Mistry, and James D. A. Millington
Geosci. Model Dev., 17, 3993–4016, https://doi.org/10.5194/gmd-17-3993-2024, https://doi.org/10.5194/gmd-17-3993-2024, 2024
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Wildfire is often presented in the media as a danger to human life. Yet globally, millions of people’s livelihoods depend on using fire as a tool. So, patterns of fire emerge from interactions between humans, land use, and climate. This complexity means scientists cannot yet reliably say how fire will be impacted by climate change. So, we developed a new model that represents globally how people use and manage fire. The model reveals the extent and diversity of how humans live with and use fire.
Amos P. K. Tai, David H. Y. Yung, and Timothy Lam
Geosci. Model Dev., 17, 3733–3764, https://doi.org/10.5194/gmd-17-3733-2024, https://doi.org/10.5194/gmd-17-3733-2024, 2024
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We have developed the Terrestrial Ecosystem Model in R (TEMIR), which simulates plant carbon and pollutant uptake and predicts their response to varying atmospheric conditions. This model is designed to couple with an atmospheric chemistry model so that questions related to plant–atmosphere interactions, such as the effects of climate change, rising CO2, and ozone pollution on forest carbon uptake, can be addressed. The model has been well validated with both ground and satellite observations.
Fabian Stenzel, Johanna Braun, Jannes Breier, Karlheinz Erb, Dieter Gerten, Jens Heinke, Sarah Matej, Sebastian Ostberg, Sibyll Schaphoff, and Wolfgang Lucht
Geosci. Model Dev., 17, 3235–3258, https://doi.org/10.5194/gmd-17-3235-2024, https://doi.org/10.5194/gmd-17-3235-2024, 2024
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We provide an R package to compute two biosphere integrity metrics that can be applied to simulations of vegetation growth from the dynamic global vegetation model LPJmL. The pressure metric BioCol indicates that we humans modify and extract > 20 % of the potential preindustrial natural biomass production. The ecosystems state metric EcoRisk shows a high risk of ecosystem destabilization in many regions as a result of climate change and land, water, and fertilizer use.
Elin Ristorp Aas, Heleen A. de Wit, and Terje K. Berntsen
Geosci. Model Dev., 17, 2929–2959, https://doi.org/10.5194/gmd-17-2929-2024, https://doi.org/10.5194/gmd-17-2929-2024, 2024
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By including microbial processes in soil models, we learn how the soil system interacts with its environment and responds to climate change. We present a soil process model, MIMICS+, which is able to reproduce carbon stocks found in boreal forest soils better than a conventional land model. With the model we also find that when adding nitrogen, the relationship between soil microbes changes notably. Coupling the model to a vegetation model will allow for further study of these mechanisms.
Thomas Wutzler, Christian Reimers, Bernhard Ahrens, and Marion Schrumpf
Geosci. Model Dev., 17, 2705–2725, https://doi.org/10.5194/gmd-17-2705-2024, https://doi.org/10.5194/gmd-17-2705-2024, 2024
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Soil microbes provide a strong link for elemental fluxes in the earth system. The SESAM model applies an optimality assumption to model those linkages and their adaptation. We found that a previous heuristic description was a special case of a newly developed more rigorous description. The finding of new behaviour at low microbial biomass led us to formulate the constrained enzyme hypothesis. We now can better describe how microbially mediated linkages of elemental fluxes adapt across decades.
Salvatore R. Curasi, Joe R. Melton, Elyn R. Humphreys, Txomin Hermosilla, and Michael A. Wulder
Geosci. Model Dev., 17, 2683–2704, https://doi.org/10.5194/gmd-17-2683-2024, https://doi.org/10.5194/gmd-17-2683-2024, 2024
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Canadian forests are responding to fire, harvest, and climate change. Models need to quantify these processes and their carbon and energy cycling impacts. We develop a scheme that, based on satellite records, represents fire, harvest, and the sparsely vegetated areas that these processes generate. We evaluate model performance and demonstrate the impacts of disturbance on carbon and energy cycling. This work has implications for land surface modeling and assessing Canada’s terrestrial C cycle.
Yannek Käber, Florian Hartig, and Harald Bugmann
Geosci. Model Dev., 17, 2727–2753, https://doi.org/10.5194/gmd-17-2727-2024, https://doi.org/10.5194/gmd-17-2727-2024, 2024
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Many forest models include detailed mechanisms of forest growth and mortality, but regeneration is often simplified. Testing and improving forest regeneration models is challenging. We address this issue by exploring how forest inventories from unmanaged European forests can be used to improve such models. We find that competition for light among trees is captured by the model, unknown model components can be informed by forest inventory data, and climatic effects are challenging to capture.
Jalisha T. Kallingal, Johan Lindström, Paul A. Miller, Janne Rinne, Maarit Raivonen, and Marko Scholze
Geosci. Model Dev., 17, 2299–2324, https://doi.org/10.5194/gmd-17-2299-2024, https://doi.org/10.5194/gmd-17-2299-2024, 2024
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By unlocking the mysteries of CH4 emissions from wetlands, our work improved the accuracy of the LPJ-GUESS vegetation model using Bayesian statistics. Via assimilation of long-term real data from a wetland, we significantly enhanced CH4 emission predictions. This advancement helps us better understand wetland contributions to atmospheric CH4, which are crucial for addressing climate change. Our method offers a promising tool for refining global climate models and guiding conservation efforts
Benjamin Post, Esteban Acevedo-Trejos, Andrew D. Barton, and Agostino Merico
Geosci. Model Dev., 17, 1175–1195, https://doi.org/10.5194/gmd-17-1175-2024, https://doi.org/10.5194/gmd-17-1175-2024, 2024
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Creating computational models of how phytoplankton grows in the ocean is a technical challenge. We developed a new tool set (Xarray-simlab-ODE) for building such models using the programming language Python. We demonstrate the tool set in a library of plankton models (Phydra). Our goal was to allow scientists to develop models quickly, while also allowing the model structures to be changed easily. This allows us to test many different structures of our models to find the most appropriate one.
Taeken Wijmer, Ahmad Al Bitar, Ludovic Arnaud, Remy Fieuzal, and Eric Ceschia
Geosci. Model Dev., 17, 997–1021, https://doi.org/10.5194/gmd-17-997-2024, https://doi.org/10.5194/gmd-17-997-2024, 2024
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Quantification of carbon fluxes of crops is an essential building block for the construction of a monitoring, reporting, and verification approach. We developed an end-to-end platform (AgriCarbon-EO) that assimilates, through a Bayesian approach, high-resolution (10 m) optical remote sensing data into radiative transfer and crop modelling at regional scale (100 x 100 km). Large-scale estimates of carbon flux are validated against in situ flux towers and yield maps and analysed at regional scale.
Moritz Laub, Sergey Blagodatsky, Marijn Van de Broek, Samuel Schlichenmaier, Benjapon Kunlanit, Johan Six, Patma Vityakon, and Georg Cadisch
Geosci. Model Dev., 17, 931–956, https://doi.org/10.5194/gmd-17-931-2024, https://doi.org/10.5194/gmd-17-931-2024, 2024
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To manage soil organic matter (SOM) sustainably, we need a better understanding of the role that soil microbes play in aggregate protection. Here, we propose the SAMM model, which connects soil aggregate formation to microbial growth. We tested it against data from a tropical long-term experiment and show that SAMM effectively represents the microbial growth, SOM, and aggregate dynamics and that it can be used to explore the importance of aggregate formation in SOM stabilization.
Jianhong Lin, Daniel Berveiller, Christophe François, Heikki Hänninen, Alexandre Morfin, Gaëlle Vincent, Rui Zhang, Cyrille Rathgeber, and Nicolas Delpierre
Geosci. Model Dev., 17, 865–879, https://doi.org/10.5194/gmd-17-865-2024, https://doi.org/10.5194/gmd-17-865-2024, 2024
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Currently, the high variability of budburst between individual trees is overlooked. The consequences of this neglect when projecting the dynamics and functioning of tree communities are unknown. Here we develop the first process-oriented model to describe the difference in budburst dates between individual trees in plant populations. Beyond budburst, the model framework provides a basis for studying the dynamics of phenological traits under climate change, from the individual to the community.
Skyler Kern, Mary E. McGuinn, Katherine M. Smith, Nadia Pinardi, Kyle E. Niemeyer, Nicole S. Lovenduski, and Peter E. Hamlington
Geosci. Model Dev., 17, 621–649, https://doi.org/10.5194/gmd-17-621-2024, https://doi.org/10.5194/gmd-17-621-2024, 2024
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Computational models are used to simulate the behavior of marine ecosystems. The models often have unknown parameters that need to be calibrated to accurately represent observational data. Here, we propose a novel approach to simultaneously determine a large set of parameters for a one-dimensional model of a marine ecosystem in the surface ocean at two contrasting sites. By utilizing global and local optimization techniques, we estimate many parameters in a computationally efficient manner.
Shuaitao Wang, Vincent Thieu, Gilles Billen, Josette Garnier, Marie Silvestre, Audrey Marescaux, Xingcheng Yan, and Nicolas Flipo
Geosci. Model Dev., 17, 449–476, https://doi.org/10.5194/gmd-17-449-2024, https://doi.org/10.5194/gmd-17-449-2024, 2024
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This paper presents unified RIVE v1.0, a unified version of the freshwater biogeochemistry model RIVE. It harmonizes different RIVE implementations, providing the referenced formalisms for microorganism activities to describe full biogeochemical cycles in the water column (e.g., carbon, nutrients, oxygen). Implemented as open-source projects in Python 3 (pyRIVE 1.0) and ANSI C (C-RIVE 0.32), unified RIVE v1.0 promotes and enhances collaboration among research teams and public services.
Sam S. Rabin, William J. Sacks, Danica L. Lombardozzi, Lili Xia, and Alan Robock
Geosci. Model Dev., 16, 7253–7273, https://doi.org/10.5194/gmd-16-7253-2023, https://doi.org/10.5194/gmd-16-7253-2023, 2023
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Climate models can help us simulate how the agricultural system will be affected by and respond to environmental change, but to be trustworthy they must realistically reproduce historical patterns. When farmers plant their crops and what varieties they choose will be important aspects of future adaptation. Here, we improve the crop component of a global model to better simulate observed growing seasons and examine the impacts on simulated crop yields and irrigation demand.
Weihang Liu, Tao Ye, Christoph Müller, Jonas Jägermeyr, James A. Franke, Haynes Stephens, and Shuo Chen
Geosci. Model Dev., 16, 7203–7221, https://doi.org/10.5194/gmd-16-7203-2023, https://doi.org/10.5194/gmd-16-7203-2023, 2023
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We develop a machine-learning-based crop model emulator with the inputs and outputs of multiple global gridded crop model ensemble simulations to capture the year-to-year variation of crop yield under future climate change. The emulator can reproduce the year-to-year variation of simulated yield given by the crop models under CO2, temperature, water, and nitrogen perturbations. Developing this emulator can provide a tool to project future climate change impact in a simple way.
Jurjen Rooze, Heewon Jung, and Hagen Radtke
Geosci. Model Dev., 16, 7107–7121, https://doi.org/10.5194/gmd-16-7107-2023, https://doi.org/10.5194/gmd-16-7107-2023, 2023
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Chemical particles in nature have properties such as age or reactivity. Distributions can describe the properties of chemical concentrations. In nature, they are affected by mixing processes, such as chemical diffusion, burrowing animals, and bottom trawling. We derive equations for simulating the effect of mixing on central moments that describe the distributions. We then demonstrate applications in which these equations are used to model continua in disturbed natural environments.
Esteban Acevedo-Trejos, Jean Braun, Katherine Kravitz, N. Alexia Raharinirina, and Benoît Bovy
Geosci. Model Dev., 16, 6921–6941, https://doi.org/10.5194/gmd-16-6921-2023, https://doi.org/10.5194/gmd-16-6921-2023, 2023
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The interplay of tectonics and climate influences the evolution of life and the patterns of biodiversity we observe on earth's surface. Here we present an adaptive speciation component coupled with a landscape evolution model that captures the essential earth-surface, ecological, and evolutionary processes that lead to the diversification of taxa. We can illustrate with our tool how life and landforms co-evolve to produce distinct biodiversity patterns on geological timescales.
Veli Çağlar Yumruktepe, Erik Askov Mousing, Jerry Tjiputra, and Annette Samuelsen
Geosci. Model Dev., 16, 6875–6897, https://doi.org/10.5194/gmd-16-6875-2023, https://doi.org/10.5194/gmd-16-6875-2023, 2023
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We present an along BGC-Argo track 1D modelling framework. The model physics is constrained by the BGC-Argo temperature and salinity profiles to reduce the uncertainties related to mixed layer dynamics, allowing the evaluation of the biogeochemical formulation and parameterization. We objectively analyse the model with BGC-Argo and satellite data and improve the model biogeochemical dynamics. We present the framework, example cases and routines for model improvement and implementations.
Tanya J. R. Lippmann, Ype van der Velde, Monique M. P. D. Heijmans, Han Dolman, Dimmie M. D. Hendriks, and Ko van Huissteden
Geosci. Model Dev., 16, 6773–6804, https://doi.org/10.5194/gmd-16-6773-2023, https://doi.org/10.5194/gmd-16-6773-2023, 2023
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Vegetation is a critical component of carbon storage in peatlands but an often-overlooked concept in many peatland models. We developed a new model capable of simulating the response of vegetation to changing environments and management regimes. We evaluated the model against observed chamber data collected at two peatland sites. We found that daily air temperature, water level, harvest frequency and height, and vegetation composition drive methane and carbon dioxide emissions.
Chonggang Xu, Bradley Christoffersen, Zachary Robbins, Ryan Knox, Rosie A. Fisher, Rutuja Chitra-Tarak, Martijn Slot, Kurt Solander, Lara Kueppers, Charles Koven, and Nate McDowell
Geosci. Model Dev., 16, 6267–6283, https://doi.org/10.5194/gmd-16-6267-2023, https://doi.org/10.5194/gmd-16-6267-2023, 2023
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We introduce a plant hydrodynamic model for the U.S. Department of Energy (DOE)-sponsored model, the Functionally Assembled Terrestrial Ecosystem Simulator (FATES). To better understand this new model system and its functionality in tropical forest ecosystems, we conducted a global parameter sensitivity analysis at Barro Colorado Island, Panama. We identified the key parameters that affect the simulated plant hydrodynamics to guide both modeling and field campaign studies.
Jianghui Du
Geosci. Model Dev., 16, 5865–5894, https://doi.org/10.5194/gmd-16-5865-2023, https://doi.org/10.5194/gmd-16-5865-2023, 2023
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Trace elements and isotopes (TEIs) are important tools to study the changes in the ocean environment both today and in the past. However, the behaviors of TEIs in marine sediments are poorly known, limiting our ability to use them in oceanography. Here we present a modeling framework that can be used to generate and run models of the sedimentary cycling of TEIs assisted with advanced numerical tools in the Julia language, lowering the coding barrier for the general user to study marine TEIs.
Siyu Zhu, Peipei Wu, Siyi Zhang, Oliver Jahn, Shu Li, and Yanxu Zhang
Geosci. Model Dev., 16, 5915–5929, https://doi.org/10.5194/gmd-16-5915-2023, https://doi.org/10.5194/gmd-16-5915-2023, 2023
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In this study, we estimate the global biogeochemical cycling of Hg in a state-of-the-art physical-ecosystem ocean model (high-resolution-MITgcm/Hg), providing a more accurate portrayal of surface Hg concentrations in estuarine and coastal areas, strong western boundary flow and upwelling areas, and concentration diffusion as vortex shapes. The high-resolution model can help us better predict the transport and fate of Hg in the ocean and its impact on the global Hg cycle.
Cited articles
Ahamed, F., You, Y., Burgin, A., Stegen, J. C., Scheibe, T. D., and Song, H. S.: Exploring the determinants of organic matter bioavailability through substrate-explicit thermodynamic modeling, Front. Water, 5, 1169701, https://doi.org/10.3389/frwa.2023.1169701, 2023.
Bahureksa, W., Tfaily, M. M., Boiteau, R. M., Young, R. B., Logan, M. N., McKenna, A. M., and Borch, T.: Soil organic matter characterization by Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS): A critical review of sample preparation, analysis, and data interpretation, Environ. Sci. Technol., 55, 9637–9656, https://doi.org/10.1021/acs.est.1c01135, 2021.
Cooper, W. T., Chanton, J. C., D'Andrilli, J., Hodgkins, S. B., Podgorski, D. C., Stenson, A. C., Tfaily, M. M., and Wilson, R. M.: A history of molecular level analysis of natural organic matter by FTICR mass spectrometry and the paradigm shift in organic geochemistry, Mass Spectrom. Rev., 41, 215–239, https://doi.org/10.1002/mas.21663, 2022.
Cover, T. M. and Thomas, J. A.: Elements of information theory (Wiley series in telecommunications and signal processing), Wiley-Interscience, ISBN-13 9780471241959, 2006.
Desmond-Le Quéméner, E. and Bouchez, T.,: A thermodynamic theory of microbial growth. The ISME J., 8, 1747–1751, https://doi.org/10.1038/ismej.2014.7, 2014.
Emerick, A. A. and Reynolds, A. C.: Ensemble smoother with multiple data assimilation, Comput. Geosci., 55, 3–15, https://doi.org/10.1016/j.cageo.2012.03.011, 2013.
Fatichi, S., Manzoni, S., Or, D., and Paschalis, A.: A mechanistic model of microbially mediated soil biogeochemical processes: a reality check, Global Biogeochem. Cy., 33, 620–648, https://doi.org/10.1029/2018GB006077, 2019.
Garayburu-Caruso, V. A., Stegen, J. C., Song, H. S., Renteria, L., Wells, J., Garcia, W., Resch, C. T., Goldman, A. E., Chu, R. K., Toyoda, J., and Graham, E. B.: Carbon limitation leads to thermodynamic regulation of aerobic metabolism, Environ. Sci. Technol. Lett., 7, 517–524, https://doi.org/10.1021/acs.estlett.0c00258, 2020.
Goldman, A. E., Arnon, S., Bar-Zeev, E., Chu, R. K., Danczak, R. E., Daly, R. A., Delgado, D., Fansler, S., Forbes, B., Garayburu-Caruso, V. A., Graham, E. B., Laan, M., McCall, M. L., McKever, S., Patel, K. F., Ren, H., Renteria, L., Resch, C. T., Rod, K. A., Tfaily, M., Tolic, N., Torgeson, J. M., Toyoda, J. G., Wells, J., Wrighton, K. C., Stegen, J. C., and WHONDRS Consortium T: WHONDRS Summer 2019 Sampling Campaign: Global River Corridor Sediment FTICR-MS, Dissolved Organic Carbon, Aerobic Respiration, Elemental Composition, Grain Size, Total Nitrogen and Organic Carbon Content, Bacterial Abundance, and Stable Isotopes (v8), River Corridor and Watershed Biogeochemistry SFA, ESS-DIVE repository [data set], https://doi.org/10.15485/1729719, 2020.
Hammond, G. E.: The PFLOTRAN Reaction Sandbox, Geosci. Model Dev., 15, 1659–1676, https://doi.org/10.5194/gmd-15-1659-2022, 2022.
Hammond, G. E., Lichtner, P. C., and Mills, R. T.: Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN, Water Resour. Res., 50, 208–228, https://doi.org/10.1002/2012WR013483, 2014.
Jiang, P., Chen, X., Chen, K., Anderson, J., Collins, N., and Gharamti, M.: DART-PFLOTRAN: An ensemble-based data assimilation system for estimating subsurface flow and transport model parameters, Environ. Model. Softw., 142, 105074, https://doi.org/10.1016/j.envsoft.2021.105074, 2021.
Jiang, P., Son, K., Mudunuru, M. K., and Chen, X.: Using mutual information for global sensitivity analysis on watershed modelling, Water Resour. Res., 58, e2022WR032932, https://doi.org/10.1029/2022WR032932, 2022.
Kim, J. and Blair, N. E.: Biomarker heatmaps: visualization of complex biomarker data to detect storm-induced source changes in fluvial particulate organic carbon, Earth Sci. Inform., 16, 2915–2924, https://doi.org/10.1007/s12145-023-01039-y, 2023.
Kinzelbach, W., Schafer, W., and Herzer, J.: Numerical modeling of natural and enhanced denitrification processes in aquifers, Water Resour. Res., 27, 1123–1135, https://doi.org/10.1029/91WR00474, 1991.
Kleerebezem, R. and Van Loosdrecht, M. C.: A generalized method for thermodynamic state analysis of environmental systems, Crit. Rev. Env. Sci. Tech., 40, 1–54, https://doi.org/10.1080/10643380802000974, 2010.
Kluyver, T., Ragan-Kelley, B., Pérez, F., Granger, B., Bussonnier, M., Frederic, J., Kelley, K., Hamrick, J., Grout, J., Corlay, S., and Ivanov, P.: Jupyter Notebooks-a publishing format for reproducible computational workflows, Elpub, IOS Press, 87–90, https://doi.org/10.3233/978-1-61499-649-1-87, 2016.
Lehmann, J., Hansel, C. M., Kaiser, C., Kleber, M., Maher, K., Manzoni, S., Nunan, N., Reichstein, M., Schimel, J. P., Torn, M. S., and Wieder, W. R.: Persistence of soil organic carbon caused by functional complexity, Nat. Geosci., 13, 529–534, https://doi.org/10.1038/s41561-020-0612-3, 2020.
Muller, K. A., Jiang, P., Hammond, G., Ahmadullah, T., Song, H., Kukkadapu, R., Ward, N., Bowe, M., Chu, R. K., Zhao, Q., Garayburu-Caruso, V. A., Roebuck, A., and Chen, X.: Data and Scripts associated with “Lambda-PFLOTRAN: Workflow for Incorporating Organic Matter Chemistry Informed by Ultra High Resolution Mass Spectrometry into Biogeochemical Modeling”, River Corridor and Watershed Biogeochemistry SFA, ESS-DIVE repository [code and data set], https://doi.org/10.15485/2281403, 2024.
Robertson, A. D., Paustian, K., Ogle, S., Wallenstein, M. D., Lugato, E., and Cotrufo, M. F.: Unifying soil organic matter formation and persistence frameworks: the MEMS model, Biogeosciences, 16, 1225–1248, https://doi.org/10.5194/bg-16-1225-2019, 2019.
Schmidt, M. W., Torn, M. S., Abiven, S., Dittmar, T., Guggenberger, G., Janssens, I. A., Kleber, M., Kögel-Knabner, I., Lehmann, J., Manning, D. A., and Nannipieri, P.: Persistence of soil organic matter as an ecosystem property, Nature, 478, 49–56, https://doi.org/10.1038/nature10386, 2011.
Song, H. S., Stegen, J. C., Graham, E. B., Lee, J. Y., Garayburu-Caruso, V. A., Nelson, W. C., Chen, X., Moulton, J. D., and Scheibe, T. D.: Representing organic matter thermodynamics in biogeochemical reactions via substrate-explicit modelling, Front. Microbiol., 11, 531756, https://doi.org/10.3389/fmicb.2020.531756, 2020.
Stegen, J. C., Johnson, T., Fredrickson, J. K., Wilkins, M. J., Konopka, A. E., Nelson, W. C., Arntzen, E. V., Chrisler, W. B., Chu, R. K., Fansler, S. J., and Graham, E. B.: Influences of organic carbon speciation on hyporheic corridor biogeochemistry and microbial ecology, Nat. Commun., 9, 585, https://doi.org/10.1038/s41467-018-02922-9, 2018.
Stegen, J. C., Garayburu-Caruso, V. A., Danczak, R. E., Goldman, A. E., Renteria, L., Torgeson, J. M., and Hager, J.: Maximum respiration rates in hyporheic zone sediments are primarily constrained by organic carbon concentration and secondarily by organic matter chemistry, Biogeosciences, 20, 2857–2867, https://doi.org/10.5194/bg-20-2857-2023, 2023.
Stephanopoulos, G., Aristidou, A. A., and Nielsen, J.: Metabolic engineering: principles and methodologies, ISBN-13 9780126662603, 1998.
Tfaily, M. M., Chu, R. K., Toyoda, J., Tolić, N., Robinson, E. W., Paša-Tolić, L., and Hess, N. J.: Sequential extraction protocol for organic matter from soils and sediments using high resolution mass spectrometry, Anal. Chim. Ac., 972, 54–61, 2017.
Tolic, N., Liu, Y., Liyu, A., Shen, Y., Tfaily, M. M., Kujawinski, E. B., Longnecker, K., Kuo, L. J., Robinson, E. W., Paša-Tolić, L., and Hess, N. J.: Formularity: software for automated formula assignment of natural and other organic matter from ultrahigh-resolution mass spectra, Anal. Chem., 89, 12659–12665, 2017.
Wang, G., Post, W. M., and Mayes, M. A.: Development of microbial-enzyme-mediated decomposition model parameters through steady-state and dynamics analyses, Ecol. Appl., 23, 255–272, https://doi.org/10.1890/12-0681.1, 2013.
Ward, N. D., Keil, R. G., Medeiros, P. M., Brito, D. C., Cunha, A. C., Dittmar, T., Yager, P. L., Krusche, A. V., and Richey, J. E.: Degradation of terrestrially derived macromolecules in the Amazon River, Nat. Geosci., 6, 530–533, https://doi.org/10.1038/ngeo1817, 2013.
Ward, N. D, Muller, K. A., Chen, X., Zhao, Q., Chu, R., Cheng, Z., Wietsma, T. W., and Kukkadapu, R. K.: Interactive Effects of Salinity, Redox State, Soil type, and Colloidal Size Fractionation on Greenhouse Gas Production in Coastal Wetland Soils, ESS Open Archive [preprint], https://doi.org/10.22541/essoar.170158332.29336750/v1, 2023.
Short summary
The new Lambda-PFLOTRAN workflow incorporates organic matter chemistry into reaction networks to simulate aerobic respiration and biogeochemistry. Lambda-PFLOTRAN is a Python-based workflow in a Jupyter notebook interface that digests raw organic matter chemistry data via Fourier transform ion cyclotron resonance mass spectrometry, develops a representative reaction network, and completes a biogeochemical simulation with the open-source, parallel-reactive-flow, and transport code PFLOTRAN.
The new Lambda-PFLOTRAN workflow incorporates organic matter chemistry into reaction networks to...
