Articles | Volume 18, issue 11
https://doi.org/10.5194/gmd-18-3241-2025
© Author(s) 2025. 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-18-3241-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Model description paper
| 
02 Jun 2025
Model description paper |
| 02 Jun 2025
| 02 Jun 2025
Alquimia v1.0: a generic interface to biogeochemical codes – a tool for interoperable development, prototyping and benchmarking for multiphysics simulators
Energy Geosciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd, Berkeley, CA 94720, USA
Benjamin J. Andre
Energy Geosciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd, Berkeley, CA 94720, USA
Jeffrey N. Johnson
Energy Geosciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd, Berkeley, CA 94720, USA
Cohere Consulting, LLC, Seattle, WA 98105, USA
Glenn E. Hammond
Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, WA 99354, USA
Benjamin N. Sulman
Environmental Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA
Konstantin Lipnikov
Applied Mathematics and Plasma Physics, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Marcus S. Day
Computational Science Center, National Renewable Energy Laboratory, Golden, CO 80401, USA
James J. Beisman
Environmental Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA
Daniil Svyatsky
Applied Mathematics and Plasma Physics, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Hang Deng
Department of Energy and Resources Engineering, Peking University, Peking, 100871, China
Peter C. Lichtner
Department of Civil Engineering, University of New Mexico, Albuquerque, NM 87131, USA
Carl I. Steefel
Energy Geosciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd, Berkeley, CA 94720, USA
J. David Moulton
Applied Mathematics and Plasma Physics, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
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Hydrol. Earth Syst. Sci., 26, 755–773, https://doi.org/10.5194/hess-26-755-2022, https://doi.org/10.5194/hess-26-755-2022, 2022
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Climate change could change the groundwater system and threaten water supply. To quantitatively evaluate its impact on water quality, numerical simulations with chemical and reaction processes are required. With the climate projection dataset, we used the newly developed hydrological and chemical model to investigate the movement of contaminants and assist the management of contamination sites.
Michael Nole, Katherine Muller, Glenn Hammond, Xiaoliang He, and Peter Lichtner
EGUsphere, https://doi.org/10.5194/egusphere-2025-1343, https://doi.org/10.5194/egusphere-2025-1343, 2025
This preprint is open for discussion and under review for Geoscientific Model Development (GMD).
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Subsurface injection of carbon dioxide (CO2) can be used for a variety of purposes including geologic carbon storage and enhanced oil recovery. Recently, CO2 injection into reactive host rocks has been explored as a way to transform CO2 into dense solid minerals. We present a simulation framework for modeling flow of CO2 due to injection and subsequent reactions that take place to mineralize CO2.
Michael Nole, Jonah Bartrand, Fawz Naim, and Glenn Hammond
Geosci. Model Dev., 18, 1413–1425, https://doi.org/10.5194/gmd-18-1413-2025, https://doi.org/10.5194/gmd-18-1413-2025, 2025
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Safe carbon dioxide (CO2) storage is likely to be critical for mitigating some of the most severe 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 subsea CO2 injection.
Katherine A. Muller, Peishi Jiang, Glenn Hammond, Tasneem Ahmadullah, Hyun-Seob Song, Ravi Kukkadapu, Nicholas Ward, Madison Bowe, Rosalie K. Chu, Qian Zhao, Vanessa A. Garayburu-Caruso, Alan Roebuck, and Xingyuan Chen
Geosci. Model Dev., 17, 8955–8968, https://doi.org/10.5194/gmd-17-8955-2024, https://doi.org/10.5194/gmd-17-8955-2024, 2024
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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.
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.
Utkarsh Mital, Dipankar Dwivedi, James B. Brown, and Carl I. Steefel
Earth Syst. Sci. Data, 14, 4949–4966, https://doi.org/10.5194/essd-14-4949-2022, https://doi.org/10.5194/essd-14-4949-2022, 2022
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We present a new dataset that estimates small-scale variations in precipitation and temperature in mountainous terrain. The dataset is generated using a new machine learning framework that extracts relationships between climate and topography from existing coarse-scale datasets. The generated dataset is shown to capture small-scale variations more reliably than existing datasets and constitutes a valuable resource to model the water cycle in the mountains of Colorado, western United States.
Elchin E. Jafarov, Daniil Svyatsky, Brent Newman, Dylan Harp, David Moulton, and Cathy Wilson
The Cryosphere, 16, 851–862, https://doi.org/10.5194/tc-16-851-2022, https://doi.org/10.5194/tc-16-851-2022, 2022
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Recent research indicates the importance of lateral transport of dissolved carbon in the polygonal tundra, suggesting that the freeze-up period could further promote lateral carbon transport. We conducted subsurface tracer simulations on high-, flat-, and low-centered polygons to test the importance of the freeze–thaw cycle and freeze-up time for tracer mobility. Our findings illustrate the impact of hydraulic and thermal gradients on tracer mobility, as well as of the freeze-up time.
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.
Zexuan Xu, Rebecca Serata, Haruko Wainwright, Miles Denham, Sergi Molins, Hansell Gonzalez-Raymat, Konstantin Lipnikov, J. David Moulton, and Carol Eddy-Dilek
Hydrol. Earth Syst. Sci., 26, 755–773, https://doi.org/10.5194/hess-26-755-2022, https://doi.org/10.5194/hess-26-755-2022, 2022
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Climate change could change the groundwater system and threaten water supply. To quantitatively evaluate its impact on water quality, numerical simulations with chemical and reaction processes are required. With the climate projection dataset, we used the newly developed hydrological and chemical model to investigate the movement of contaminants and assist the management of contamination sites.
Qina Yan, Haruko Wainwright, Baptiste Dafflon, Sebastian Uhlemann, Carl I. Steefel, Nicola Falco, Jeffrey Kwang, and Susan S. Hubbard
Earth Surf. Dynam., 9, 1347–1361, https://doi.org/10.5194/esurf-9-1347-2021, https://doi.org/10.5194/esurf-9-1347-2021, 2021
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We develop a hybrid model to estimate the spatial distribution of the thickness of the soil layer, which also provides estimations of soil transport and soil production rates. We apply this model to two examples of hillslopes in the East River watershed in Colorado and validate the model. The results show that the north-facing (NF) hillslope has a deeper soil layer than the south-facing (SF) hillslope and that the hybrid model provides better accuracy than a machine-learning model.
William R. Wieder, Derek Pierson, Stevan Earl, Kate Lajtha, Sara G. Baer, Ford Ballantyne, Asmeret Asefaw Berhe, Sharon A. Billings, Laurel M. Brigham, Stephany S. Chacon, Jennifer Fraterrigo, Serita D. Frey, Katerina Georgiou, Marie-Anne de Graaff, A. Stuart Grandy, Melannie D. Hartman, Sarah E. Hobbie, Chris Johnson, Jason Kaye, Emily Kyker-Snowman, Marcy E. Litvak, Michelle C. Mack, Avni Malhotra, Jessica A. M. Moore, Knute Nadelhoffer, Craig Rasmussen, Whendee L. Silver, Benjamin N. Sulman, Xanthe Walker, and Samantha Weintraub
Earth Syst. Sci. Data, 13, 1843–1854, https://doi.org/10.5194/essd-13-1843-2021, https://doi.org/10.5194/essd-13-1843-2021, 2021
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Data collected from research networks present opportunities to test theories and develop models about factors responsible for the long-term persistence and vulnerability of soil organic matter (SOM). Here we present the SOils DAta Harmonization database (SoDaH), a flexible database designed to harmonize diverse SOM datasets from multiple research networks.
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Soil water is a medium from which microbes acquire resources and within which they are able to move. Occupancy and availability of water and oxygen gas in soils are mutually exclusive. In addition, as soil dries the remaining water is held with an increasing degree of adhesive energy, which restricts microbes' ability to extract resources from water. We introduce a mathematical model that describes these interacting effects and organic matter decomposition.
Jennifer W. Harden, Jonathan A. O'Donnell, Katherine A. Heckman, Benjamin N. Sulman, Charles D. Koven, Chien-Lu Ping, and Gary J. Michaelson
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We examined changes in soil carbon (C) associated with permafrost thaw, warming, and ecosystem shifts using a space-for-time study. Soil C turnover was estimated for soil C fractions using soil C and radiocarbon data. Observations informed a simple model to track soil C change over time. Both losses and gains of soil C occur in the profile due to shifts in C among density-separated fractions. Thawing initially resulted in C gains to mineral soil and eventually C losses as warming persists.
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.
Nathaniel W. Chaney, Marjolein H. J. Van Huijgevoort, Elena Shevliakova, Sergey Malyshev, Paul C. D. Milly, Paul P. G. Gauthier, and Benjamin N. Sulman
Hydrol. Earth Syst. Sci., 22, 3311–3330, https://doi.org/10.5194/hess-22-3311-2018, https://doi.org/10.5194/hess-22-3311-2018, 2018
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The petabytes of existing global environmental data provide an invaluable asset to improve the characterization of land heterogeneity in Earth system models. This study introduces a clustering algorithm that summarizes a domain's heterogeneity through spatially interconnected clusters. A series of land model simulations in central California using this approach illustrate the critical role that multi-scale heterogeneity can have on the macroscale water, energy, and carbon cycles.
Guoping Tang, Fengming Yuan, Gautam Bisht, Glenn E. Hammond, Peter C. Lichtner, Jitendra Kumar, Richard T. Mills, Xiaofeng Xu, Ben Andre, Forrest M. Hoffman, Scott L. Painter, and Peter E. Thornton
Geosci. Model Dev., 9, 927–946, https://doi.org/10.5194/gmd-9-927-2016, https://doi.org/10.5194/gmd-9-927-2016, 2016
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We demonstrate that CLM-PFLOTRAN predictions are consistent with CLM4.5 for Arctic, temperate, and tropical sites. A tight relative tolerance may be needed to avoid false convergence when scaling, clipping, or log transformation is used to avoid negative concentration in implicit time stepping and Newton-Raphson methods. The log transformation method is accurate and robust while relaxing relative tolerance or using the clipping or scaling method can result in efficient solutions.
S. Karra, S. L. Painter, and P. C. Lichtner
The Cryosphere, 8, 1935–1950, https://doi.org/10.5194/tc-8-1935-2014, https://doi.org/10.5194/tc-8-1935-2014, 2014
Z. M. Subin, P. C. D. Milly, B. N. Sulman, S. Malyshev, and E. Shevliakova
Hydrol. Earth Syst. Sci. Discuss., https://doi.org/10.5194/hessd-11-8443-2014, https://doi.org/10.5194/hessd-11-8443-2014, 2014
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We provide a framework for including the effects of fine-scale hydrology on biogeochemistry in Earth-system models (ESMs). We simulate a representative hillslope in each ESM grid cell. While including the hillslope does not change the average hydrology, it causes greater vegetation and soil carbon to accumulate in lowlands. This is important for understanding how soil carbon might be affected by climate change, particularly in wetlands.
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Geosci. Model Dev., 18, 3131–3155, https://doi.org/10.5194/gmd-18-3131-2025, https://doi.org/10.5194/gmd-18-3131-2025, 2025
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Zhengyang Lin, Ling Huang, Hanqin Tian, Anping Chen, and Xuhui Wang
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Mateus Dantas de Paula, Matthew Forrest, David Warlind, João Paulo Darela Filho, Katrin Fleischer, Anja Rammig, and Thomas Hickler
Geosci. Model Dev., 18, 2249–2274, https://doi.org/10.5194/gmd-18-2249-2025, https://doi.org/10.5194/gmd-18-2249-2025, 2025
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Our study maps global nitrogen (N) and phosphorus (P) availability and how they changed from 1901 to 2018. We find that tropical regions are mostly P-limited, while temperate and boreal areas face N limitations. Over time, P limitation increased, especially in the tropics, while N limitation decreased. These shifts are key to understanding global plant growth and carbon storage, highlighting the importance of including P dynamics in ecosystem models.
Wolfgang Knorr, Matthew Williams, Tea Thum, Thomas Kaminski, Michael Voßbeck, Marko Scholze, Tristan Quaife, T. Luke Smallman, Susan C. Steele-Dunne, Mariette Vreugdenhil, Tim Green, Sönke Zaehle, Mika Aurela, Alexandre Bouvet, Emanuel Bueechi, Wouter Dorigo, Tarek S. El-Madany, Mirco Migliavacca, Marika Honkanen, Yann H. Kerr, Anna Kontu, Juha Lemmetyinen, Hannakaisa Lindqvist, Arnaud Mialon, Tuuli Miinalainen, Gaétan Pique, Amanda Ojasalo, Shaun Quegan, Peter J. Rayner, Pablo Reyes-Muñoz, Nemesio Rodríguez-Fernández, Mike Schwank, Jochem Verrelst, Songyan Zhu, Dirk Schüttemeyer, and Matthias Drusch
Geosci. Model Dev., 18, 2137–2159, https://doi.org/10.5194/gmd-18-2137-2025, https://doi.org/10.5194/gmd-18-2137-2025, 2025
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When it comes to climate change, the land surface is where the vast majority of impacts happen. The task of monitoring those impacts 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 capture the changes that happen on our lands.
Luke Oberhagemann, Maik Billing, Werner von Bloh, Markus Drüke, Matthew Forrest, Simon P. K. Bowring, Jessica Hetzer, Jaime Ribalaygua Batalla, and Kirsten Thonicke
Geosci. Model Dev., 18, 2021–2050, https://doi.org/10.5194/gmd-18-2021-2025, https://doi.org/10.5194/gmd-18-2021-2025, 2025
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Under climate change, the conditions necessary for wildfires to form are occurring more frequently 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 basis for future improvements.
Lei Zhu, Philippe Ciais, Yitong Yao, Daniel Goll, Sebastiaan Luyssaert, Isabel Martínez Cano, Arthur Fendrich, Laurent Li, Hui Yang, Sassan Saatchi, and Wei Li
EGUsphere, https://doi.org/10.5194/egusphere-2025-397, https://doi.org/10.5194/egusphere-2025-397, 2025
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This study enhances the accuracy of modeling the carbon dynamics of Amazon rainforest by optimizing key model parameters based on satellite data. Using spatially varying parameters for tree mortality and photosynthesis, we improved predictions of biomass, productivity, and tree mortality. Our findings highlight the critical role of wood density and water availability in forest processes, offering insights to refine global carbon cycle models.
Trine Frisbæk Hansen, Donald Eugene Canfield, Ken Haste Andersen, and Christian Jannik Bjerrum
Geosci. Model Dev., 18, 1895–1916, https://doi.org/10.5194/gmd-18-1895-2025, https://doi.org/10.5194/gmd-18-1895-2025, 2025
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We describe and test the size-based Nutrient-Unicellular-Multicellular model, which defines unicellular plankton using a single set of parameters, on a eutrophic and oligotrophic ecosystem. The results demonstrate that both sites can be modeled with similar parameters and robust performance over a wide range of parameters. The study shows that the model is useful for non-experts and applicable for modeling ecosystems with limited data. It holds promise for evolutionary and deep-time climate models.
Ying Ye, Guy Munhoven, Peter Köhler, Martin Butzin, Judith Hauck, Özgür Gürses, and Christoph Völker
Geosci. Model Dev., 18, 977–1000, https://doi.org/10.5194/gmd-18-977-2025, https://doi.org/10.5194/gmd-18-977-2025, 2025
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Many biogeochemistry models assume all material reaching the seafloor is remineralized and returned to solution, which is sufficient for studies on short-term climate change. Under long-term climate change, the carbon storage in sediments slows down carbon cycling and influences feedbacks in the atmosphere–ocean–sediment system. This paper describes the coupling of a sediment model to an ocean biogeochemistry model and presents results under the pre-industrial climate and under CO2 perturbation.
Juliette Bernard, Elodie Salmon, Marielle Saunois, Shushi Peng, Penélope Serrano-Ortiz, Antoine Berchet, Palingamoorthy Gnanamoorthy, Joachim Jansen, and Philippe Ciais
Geosci. Model Dev., 18, 863–883, https://doi.org/10.5194/gmd-18-863-2025, https://doi.org/10.5194/gmd-18-863-2025, 2025
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Despite their importance, uncertainties remain in the evaluation of the drivers of temporal variability of methane emissions from wetlands on a global scale. Here, a simplified global model is developed, taking advantage of advances in remote-sensing data and in situ observations. The model reproduces the large spatial and temporal patterns of emissions, albeit with limitations in the tropics due to data scarcity. This model, while simple, can provide valuable insights into sensitivity analyses.
Carolina Natel, David Martin Belda, Peter Anthoni, Neele Haß, Sam Rabin, and Almut Arneth
EGUsphere, https://doi.org/10.5194/egusphere-2024-4064, https://doi.org/10.5194/egusphere-2024-4064, 2025
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Complex models predict forest carbon responses to future climate change but are slow and computationally intensive, limiting large-scale analyses. We used machine learning to accelerate predictions from the LPJ-GUESS vegetation model. Our emulators, based on random forests and neural networks, achieved 97 % faster simulations. This approach enables rapid exploration of climate mitigation strategies and supports informed policy decisions.
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.
Theo Glauch, Julia Marshall, Christoph Gerbig, Santiago Botía, Michał Gałkowski, Sanam N. Vardag, and André Butz
EGUsphere, https://doi.org/10.5194/egusphere-2024-3692, https://doi.org/10.5194/egusphere-2024-3692, 2025
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The Vegetation Photosynthesis and Respiration Model (VPRM) estimates carbon exchange between the atmosphere and biosphere by modeling gross primary production and respiration using satellite data and weather variables. Our new version, pyVPRM, supports diverse satellite products like Sentinel-2, MODIS, VIIRS and new land cover maps, enabling high spatial and temporal resolution. This improves flux estimates, especially in complex landscapes, and ensures continuity as MODIS nears decommissioning.
Katherine A. Muller, Peishi Jiang, Glenn Hammond, Tasneem Ahmadullah, Hyun-Seob Song, Ravi Kukkadapu, Nicholas Ward, Madison Bowe, Rosalie K. Chu, Qian Zhao, Vanessa A. Garayburu-Caruso, Alan Roebuck, and Xingyuan Chen
Geosci. Model Dev., 17, 8955–8968, https://doi.org/10.5194/gmd-17-8955-2024, https://doi.org/10.5194/gmd-17-8955-2024, 2024
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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.
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.
Benjamin Franklin Meyer, João Paulo Darela-Filho, Konstantin Gregor, Allan Buras, Qiao-Lin Gu, Andreas Krause, Daijun Liu, Phillip Papastefanou, Sijeh Asuk, Thorsten E. E. Grams, Christian S. Zang, and Anja Rammig
EGUsphere, https://doi.org/10.5194/egusphere-2024-3352, https://doi.org/10.5194/egusphere-2024-3352, 2024
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Climate change has increased the likelihood of drought events across Europe, potentially threatening European forest carbon sink. Dynamic vegetation models with mechanistic plant hydraulic architecture are needed to model these developments. We evaluate the plant hydraulic architecture version of LPJ-GUESS and show it's capability at capturing species-specific evapotranspiration responses to drought and reproducing flux observations of both gross primary production and evapotranspiration.
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.
Nicolette Chang, Sarah-Anne Nicholson, Marcel du Plessis, Alice D. Lebehot, Thulwaneng Mashifane, Tumelo C. Moalusi, N. Precious Mongwe, and Pedro M. S. Monteiro
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-182, https://doi.org/10.5194/gmd-2024-182, 2024
Revised manuscript accepted for GMD
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Mesoscale features (10's to 100's of km) in the Southern Ocean (SO) are crucial for global heat and carbon transport, but often unresolved in models due to high computational costs. To address this source of uncertainty, we use a regional, NEMO model of the SO at 8 km resolution with coupled ocean, ice, and biogeochemistry, BIOPERIANT12. This serves as an experimental platform to explore physical-biogeochemical interactions, model parameters/formulations, and configuring future models.
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.
Daehyuk Kim, Hyun-Chae Jung, Jae-Hong Moon, and Na-Hyeon Lee
EGUsphere, https://doi.org/10.5194/egusphere-2024-1509, https://doi.org/10.5194/egusphere-2024-1509, 2024
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Physical–biogeochemical ocean global models is difficult to analyze oceanic environmental systems. To accurately understand the physical–biogeochemical processes at the regional scale, physical and biogeochemical models were coupled at a high resolution. The results successfully simulated the seasonal variations of chlorophyll and nutrients, particularly in the marginal seas, which were not captured by global models. The model is an important tool for studying physical–biogeochemical processes.
Isabelle Maréchaux, Fabian Jörg Fischer, Sylvain Schmitt, and Jérôme Chave
EGUsphere, https://doi.org/10.5194/egusphere-2024-3104, https://doi.org/10.5194/egusphere-2024-3104, 2024
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We describe TROLL 4.0, a simulator of forest dynamics that represents trees in a virtual space at one-meter resolution. Tree birth, growth, death and the underlying physiological processes such as carbon assimilation, water transpiration and leaf phenology depend on plant traits that are measured in the field for many individuals and species. The model is thus capable of jointly simulating forest structure, diversity and ecosystem functioning, a major challenge in modelling vegetation dynamics.
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.
Sylvain Schmitt, Fabian Fischer, James Ball, Nicolas Barbier, Marion Boisseaux, Damien Bonal, Benoit Burban, Xiuzhi Chen, Géraldine Derroire, Jeremy Lichstein, Daniela Nemetschek, Natalia Restrepo-Coupe, Scott Saleska, Giacomo Sellan, Philippe Verley, Grégoire Vincent, Camille Ziegler, Jérôme Chave, and Isabelle Maréchaux
EGUsphere, https://doi.org/10.5194/egusphere-2024-3106, https://doi.org/10.5194/egusphere-2024-3106, 2024
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We evaluate the capability of TROLL 4.0, a simulator of forest dynamics, to represent tropical forest structure, diversity and functioning in two Amazonian forests. Evaluation data include forest inventories, carbon and water fluxes between the forest and the atmosphere, and leaf area and canopy height from remote-sensing products. The model realistically predicts the structure and composition, and the seasonality of carbon and water fluxes at both sites.
Elchin E. Jafarov, Helene Genet, Velimir V. Vesselinov, Valeria Briones, Aiza Kabeer, Andrew L. Mullen, Benjamin Maglio, Tobey Carman, Ruth Rutter, Joy Clein, Chu-Chun Chang, Dogukan Teber, Trevor Smith, Joshua M. Rady, Christina Schädel, Jennifer D. Watts, Brendan M. Rogers, and Susan M. Natali
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-158, https://doi.org/10.5194/gmd-2024-158, 2024
Revised manuscript accepted for GMD
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Thawing permafrost could greatly impact global climate. Our study improves modeling of carbon cycling in Arctic ecosystems. We developed an automated method to fine-tune a model that simulates carbon and nitrogen flows, using computer-generated data. Using computer-generated data, we tested our method and found it enhances accuracy and reduces the time needed for calibration. This work helps make climate predictions more reliable in sensitive permafrost regions.
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.
Ye Liu, Huilin Huang, Sing-Chun Wang, Tao Zhang, Donghui Xu, and Yang Chen
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-151, https://doi.org/10.5194/gmd-2024-151, 2024
Revised manuscript accepted for GMD
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This study integrates machine learning with a land surface model to improve wildfire predictions in North America. Traditional models struggle with accurately simulating burned areas due to simplified processes. By combining the predictive power of machine learning with a land model, our hybrid framework better captures fire dynamics. This approach enhances our understanding of wildfire behavior and aids in developing more effective climate and fire management strategies.
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.
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.
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.
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.
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.
Cited articles
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Beisman, J., Maxwell, R., Navarre-Sitchler, A., Steefel, C., and Molins, S.: ParCrunchFlow: an efficient, parallel reactive transport simulation tool for physically and chemically heterogeneous saturated subsurface environments, Comput. Geosci., 19, 403–422, https://doi.org/10.1007/s10596-015-9475-x, 2015. a, b, c
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Chang, E., Zavarin, M., Beverly, L., and Wainwright, H.: A chemistry-informed hybrid machine learning approach to predict metal adsorption onto mineral surfaces, Appl. Geochem., 155, 105731, https://doi.org/10.1016/j.apgeochem.2023.105731, 2023. a
Charlton, S. R. and Parkhurst, D. L.: Modules based on the geochemical model PHREEQC for use in scripting and programming languages, Comput. Geosci., 37, 1653–1663, https://doi.org/10.1016/j.cageo.2011.02.005, 2011. a
Coon, E., Svyatsky, D., Jan, A., Kikinzon, E., Berndt, M., Atchley, A., Harp, D., Manzini, G., Shelef, E., Lipnikov, K., Garimella, R., Xu, C., Moulton, D., Karra, S., Painter, S., Jafarov, E., and Molins, S.: Advanced Terrestrial Simulator, U.S. Department of Energy Office of Scientific and Technical Information, https://doi.org/10.11578/DC.20190911.1, 2019. a, b
De Lucia, M., Kühn, M., Lindemann, A., Lübke, M., and Schnor, B.: POET (v0.1): speedup of many-core parallel reactive transport simulations with fast DHT lookups, Geosci. Model Dev., 14, 7391–7409, https://doi.org/10.5194/gmd-14-7391-2021, 2021. a
Dubey, A., Almgren, A., Bell, J., Berzins, M., Brandt, S., Bryan, G., Colella, P., Graves, D., Lijewski, M., L”offler, F., O'Shea, B., Schnetter, E., Van Straalen, B., and Weide, K.: A survey of high level frameworks in block-structured adaptive mesh refinement packages, J. Parallel and Distr. Com., 74, 3217–3227, https://doi.org/10.1016/j.jpdc.2014.07.001, 2014. a, b, c
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Gupta, A. D., Lake, L. W., Pope, G. A., Sepehrnoori, K. T. U., and King, M. J. B. R.: High-Resolution Monotonic Schemes for Reservoir Fluid Flow Simulation, In Situ, (United States), 15, https://www.osti.gov/scitech/biblio/5799660 (last access: 24 May 2025), 1991. a
Hammond, G. E.: The PFLOTRAN Reaction Sandbox, Geosci. Model Dev., 15, 1659–1676, https://doi.org/10.5194/gmd-15-1659-2022, 2022. a, b, c, d
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. a
Jara, D., de Dreuzy, J.-R., and Cochepin, B.: TReacLab: An object-oriented implementation of non-intrusive splitting methods to couple independent transport and geochemical software, Comput. Geosci., 109, 281–294, https://doi.org/10.1016/j.cageo.2017.09.005, 2017. a
Jaysaval, P., Hammond, G. E., and Johnson, T. C.: Massively parallel modeling and inversion of electrical resistivity tomography data using PFLOTRAN, Geosci. Model Dev., 16, 961–976, https://doi.org/10.5194/gmd-16-961-2023, 2023. a
LaFond-Hudson, S. and Sulman, B.: Modeling strategies and data needs for representing coastal wetland vegetation in land surface models, New Phytol., 238, 938–951, https://doi.org/10.1111/nph.18760, 2023. a, b, c
Leal, A. M. M., Kyas, S., Kulik, D. A., and Saar, M. O.: Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations, Transport Porous Med., 133, 161–204, https://doi.org/10.1007/s11242-020-01412-1, 2020. a
Li, L., Maher, K., Navarre-Sitchler, A., Druhan, J., Meile, C., Lawrence, C., Moore, J., Perdrial, J., Sullivan, P., Thompson, A., Jin, L., Bolton, E. W., Brantley, S. L., Dietrich, W. E., Mayer, K. U., Steefel, C. I., Valocchi, A., Zachara, J., Kocar, B., Mcintosh, J., Bao, C., Tutolo, B. M., Beisman, J., Kumar, M., and Sonnenthal, E.: Expanding the role of reactive transport models in critical zone processes, Earth-Sci. Rev., 165, 280–301, https://doi.org/10.1016/j.earscirev.2016.09.001, 2017. a, b
Lichtner, P. C.: The Quasi-Stationary State Approximation to Fluid/Rock Reaction: Local Equilibrium Revisited, in: Diffusion, Atomic Ordering, and Mass Transport: Selected Topics in Geochemistry, edited by: Ganguly, J., Advances in Physical Geochemistry, Springer US, New York, NY, 452–560, ISBN 978-1-4613-9019-0, https://doi.org/10.1007/978-1-4613-9019-0_13, 1991. a
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Molins, S.: Reactive Interfaces in Direct Numerical Simulation of Pore-Scale Processes, Rev. Mineral. Geochem., 80, 461–481, https://doi.org/10.2138/rmg.2015.80.14, 2015. a
Molins, S., Trebotich, D., Steefel, C. I., and Shen, C.: An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation, Water Resour. Res., 48, https://doi.org/10.1029/2011WR011404, 2012. a, b
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Molins, S., Andre, B., Johnson, J., Hammond, G., Sulman, B., Lipnikov, K., Day, M., Beisman, J., Svyatskiy, D., Deng, H., Lichtner, P., Steefel, C., and Moulton, D.: Alquimia: A generic interface to biogeochemical codes – A tool for interoperable development, prototyping and benchmarking for multiphysics simulators, Zenodo [code], https://doi.org/10.5281/zenodo.11414442, 2024a. a
Molins, S., Trebotich, D., and Steefel, C. I.: Approaches for the simulation of coupled processes in evolving fractured porous media enabled by exascale computing, Comput. Sci. Eng., 26, 33–42, https://doi.org/10.1109/MCSE.2024.3403983, 2024b. a
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Sulman, B. N., Wang, J., LaFond-Hudson, S., O'Meara, T., Yuan, F., Molins, S., Hammond, G. E., Forbrich, I., Cardon, Z., and Giblin, A.: Integrating tide-driven wetland soil redox and biogeochemical interactions into a land surface model, J. Adv. Model. Earth Sy., 16, e2023MS004002, https://doi.org/10.1029/2023MS004002, 2024. a, b, c, d, e, f
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Zhang, Q., Deng, H., Dong, Y., Molins, S., Li, X., and Steefel, C.: Investigation of Coupled Processes in Fractures and the Bordering Matrix via a Micro-Continuum Reactive Transport Model, Water Resour. Res., 58, e2021WR030578, https://doi.org/10.1029/2021WR030578, 2022. a
Zhang, Q., Dong, Y., Molins, S., and Deng, H.: The Impacts of Micro-Porosity and Mineralogical Texture on Fractured Rock Alteration, Water Resour. Res., 60, e2023WR036266, https://doi.org/10.1029/2023WR036266, 2024. a
Short summary
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.
Developing scientific software and making sure it functions properly requires a significant...
