Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil: Modeling Archive

DOI: https://doi.org/10.5440/1814844
NGEE Arctic Record ID: NGA264
Data Version: 1.0
Abstract

This Modeling Archive is in support of an NGEE Arctic publication “Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil” in the Journal of Geophysical Research-Biogeosciences. We simulated biogeochemical cycling in arctic soils using the PFLOTRAN geochemical model combined with measurements from previous NGEE Arctic incubations of polygonal permafrost soils in northern Alaska (Zheng et al., 2018). Simulated iron cycling, carbon dioxide production, and methane production were compared with incubation measurements and the parameterized model was then used to simulate coupled iron and carbon cycling over repeated oxic-anoxic cycles at different levels of carbon substrate availability and pH. The most recent data version (2.0) in the archive incorporates changes to the model and simulations as suggested by reviewers during the manuscript review process. These changes include an updated parameterization of the model; a new set of simulations omitting the iron cycle for direct evaluation of how iron cycle processes affect modeled outcomes; and a set of simulations testing different scenarios of carbon substrate availability in addition to scenarios of initial soil pH. This archive contains simulation code, model output, and analysis code for PFLOTRAN simulations. All scripts are python except the batch script for submitting multiprocessor jobs. Note that the model also requires compiled versions of the Alquimia interface and the NGEE Arctic fork of the PFLOTRAN geochemical simulator (see the README_INSTALL document for basic instructions). The Output directory contains eight data files in netCDF format generated by the model.

The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 10-year research effort (2012-2022) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy’s Office of Biological and Environmental Research.

The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.

Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy’s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

Authors
Benjamin Sulman (sulmanbn@ornl.gov) 0000-0002-3265-6691
Fengming Yuan (fmyuan@ornl.gov) 0000-0003-0910-5231
Teri O'Meara (omearata@ornl.gov) 0000-0001-8132-9761
David Graham (grahamde@ornl.gov) 0000-0001-8968-7344
Baohua Gu (gub1@ornl.gov) 0000-0002-7299-2956
Elizabeth Herndon (herndonem@ornl.gov) 0000-0002-9194-5493
Jianqiu Zheng (zhen@pnnl.gov) 0000-0002-1609-9004
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Dataset Citation
Benjamin Sulman, Fengming Yuan, Teri O'Meara, David Graham, Baohua Gu, Elizabeth Herndon, Jianqiu Zheng. 2021. Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil: Modeling Archive. Next Generation Ecosystem Experiments Arctic Data Collection, Oak Ridge National Laboratory, U.S. Department of Energy, Oak Ridge, Tennessee, USA. Dataset accessed on [INSERT_DATE] at https://doi.org/10.5440/1814844.
Dates
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Geographic Location
NGEE Arctic Utqiagvik (Barrow), Alaska
North71.35
South71.2
East-156.4
West-156.7
Place Keywords:
N/A
Subject Keywords:
N/A
GCMD Keywords
EARTH SCIENCE > LAND SURFACE > SOILS
EARTH SCIENCE > BIOSPHERE > ECOLOGICAL DYNAMICS
EARTH SCIENCE SERVICES > MODELS > CARBON CYCLE/CARBON BUDGET MODELS
Methodology
Model: Scripts for defining the running the model. All scripts are python except the batch script for submitting multiprocessor jobs. Note that the model also requires compiled versions of the Alquimia interface and the NGEE Arctic fork of the PFLOTRAN geochemical simulator (see the README_INSTALL document for basic instructions). Current version of this model code (including alquimia version): https://github.com/bsulman/REDOX-PFLOTRAN/tree/1ef76792c0a0a495c91789a7575c595128a22719 Current version of compatible PFLOTRAN code: https://github.com/bsulman/pflotran-elm-interface/tree/51f6a84d2217621c8973fc65990754032ceb8d79 Output: The Output directory contains eight data files in netCDF format generated by the model. These files were generated separately by a multiprocessor (eight job) model run and together contain the full data output. Each file contains multiple groups, each of which contains the results from one simulation. Simulations of oxic or anoxic incubations (with constant oxic/anoxic status) for direct comparison with incubation measurements are named indicating the permafrost polygon setting, horizon, and method for calculating bulk density. Polygon setting is one of "highO2" (oxic incubation of core from center of high-centered polygon); "trough"; or "nottrough" (rim of polygon). Horizon is "organic" or "mineral." Bulk density method is either "Bockheim" (using the relationship between soil organic carbon content and bulk density from Bockheim et al. (2003)) or "porosity" (calculating bulk density from estimated core porosity using a linear regression). Simulations with names including "_noFeCH4Inhibition" were configured so that Fe(III) concentrations did not directly reduce methanogenesis reaction rates, and simulations with names not including that flag did include direct inhibition. Simulations with names containing "_noFe" omitted iron cycle processes. For example, the group named "highO2_organic_BD_Bockheim" contains the output from an oxic simulation of the organic horizon with bulk density estimated using the Bockheim et al reference, and the group named "mineral_trough_BD_porosity" contains the output from an anoxic simulation of a mineral horizon with bulk density estimated using the porosity method. Simulations of different initial pH and number of oxic/anoxic cycles are named similarly but specify the number of cycles after "nperiods" and the initial pH after "pH." "Fescale" indicates a multiplier applied to the fermentation rate in the model run to simulate different levels of substrate availability. For example, the group named "organic_trough_nperiods_3_pH_5.0_Fescale_0.5" contains results from a simulation of the organic horizon from a polygon trough with three oxic/anoxic cycles and an initial pH of 5.0, with fermentation rate scaled by 0.5. Note that oxic/anoxic cycles were only simulated for the polygon trough cores and not for the rim cores, and these simulations all used the Bockheim bulk density estimation method. Reference: Bockheim, J. G., Hinkel, K. M., & Nelson, F. E. (2003). Predicting carbon storage in tundra soils of arctic Alaska. Soil Science Society of America Journal. Soil Science Society of America, 67(3), 948–950. Analysis: The Analysis directory contains scripts for analyzing and plotting the model output. This research used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.
Related References
Sulman, B. N., Yuan, F., O’Meara, T., Gu, B., Herndon, E. M., Zheng, J., et al. (2022). Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil. Journal of Geophysical Research: Biogeosciences, 127, e2021JG006662. https://doi.org/10.1029/2021JG006662
Herndon, E. M., Yang, Z., Graham, D. E., Wullschleger, S. D., Gu, B., & Liang, L. (2016). Surface and Active Layer Pore Water Chemistry from Ice Wedge Polygons, Barrow, Alaska, 2013-2014. Oak Ridge, TN: Next Generation Ecosystem Experiments Arctic Data Collection, Oak Ridge National Laboratory. https://doi.org/10.5440/1226245
Zheng, J., RoyChowdhury, T., Herndon, E. M., Yang, Z., Gu, B., Wullschleger, S., & Graham, D. (2018). Synthesis of Soil Geochemical Characteristics and Organic Carbon Degradation from Arctic Polygon Tundra, Barrow, Alaska. Oak Ridge, TN: Next Generation Ecosystem Experiments Arctic Data Collection, Oak Ridge National Laboratory. https://doi.org/10.5440/1440029
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Related Identifiers
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Metadata Contact
Contact information for the individual or organization that is knowledgeable about the data.
Person: Benjamin Sulman
Organization: Oak Ridge National Laboratory
Email: sulmanbn@ornl.gov
Point of Contact
Contact information for the individual or organization that is knowledgeable about the data.
Person: Benjamin Sulman
Organization: Oak Ridge National Laboratory
Email: sulmanbn@ornl.gov
Dataset Usage Rights
Public Datasets

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Distribution Point of Contact
Contact: Data Center Support
Organization: Next-Generation Ecosystem Experiments (NGEE) Arctic Project, Oak Ridge National Laboratory
Email: support@ngee-arctic.ornl.gov