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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Barotropic and Baroclinic Eddy Feedbacks in the Midlatitude Jet Variability and Responses to Climate Change–Like Thermal Forcings

Abstract Studies have suggested that the persistence in the meridional vacillation of the midlatitude jet (i.e., annular mode time scale) in comprehensive climate models is related to the model biases in climatological jet latitude, with important implications for projections of future climates and midlatitude weather events. Through the use of the recently developed finite-amplitude wave activity formalism and feedback quantifying techniques, this paper has quantified the role of barotropic and baroclinic eddy feedbacks in annular mode time scales using an idealized dry atmospheric model. The eddy–mean flow interaction that characterizes the persistent anomalous state of the midlatitude jet depends on processes associated with the lower-tropospheric source of vertically propagating Rossby waves, baroclinic mechanisms, and processes associated with upper-tropospheric wave propagation and breaking, barotropic mechanisms. A variety of climate change–like thermal forcings are used to generate a range of meridional shifts in the midlatitude eddy-driven jet. The idealized model shows a reduction in annular mode time scale associated with an increase in jet latitude, similar to comprehensive climate models. This decrease in time scale can be attributed to a similar decrease in the strength of the barotropic eddy feedback, which, in the positive phase of the annular mode, is characterized by anomalous potential vorticity (PV) mixing on the equatorward flank of the climatological jet. The decrease in subtropical PV mixing is, in turn, associated with a stronger subtropical jet as the eddy-driven jet is more distant from the subtropics. These results highlight the importance of subtropical eddy–mean flow interactions for the persistence of an eddy-driven jet.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

ReEDS Performance Improvement

The Regional Energy Deployment System (ReEDS) is an open-source, spatially explicit, long-term capacity expansion model for the bulk electric power system of the contiguous United States, encompassing multiple scenarios with technological and political assumptions (see https://github.com/NREL/ReEDS-2.0). With the increased needs for capabilities, higher temporal and spatial resolutions to model the evolution of the power system with modern technologies and low-carbon pathways, ReEDS' model solution times have increased significantly from 4-6 hours in 2018 to 18-48+ hours in 2023 . Also, the model size for commonly-run ReEDS scenarios reached 22 and 28 million equations and variables, respectively. These runtimes can be especially challenging under certain scenario settings (e.g., very high temporal or spatial resolution) or with limited computational power. In this presentation, we will discuss several methods we used to improve model runtime, including data preparation, model modification, and solver tuning. The implementation of these methods shrank the model size to 7.2 and 7.3 million equations and variables, respectively. Furthermore, this led to a 77% reduction in the model's run time for commonly-run ReEDS scenarios. We will discuss the process of identifying areas for solve time improvements and how the specific enhancements for the ReEDS model might be applied to other similar large-scale models.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗
NASA NTRS1985

A Control Concept for Large Flexible Spacecraft Using Order Reduction Techniques

Results found during the investigation of control problems of large flexible spacecraft are given. A triple plate configuration of such a spacecraft is defined and studied. The model is defined by modal data derived from infinite element modeling. The order reduction method applied is briefly described. An attitude control concept with low and high authority control has been developed to design an attitude controller for the reduced model. The stability and response of the original system together with the reduced controller is analyzed.

Thieme, G.↗
DOE OSTI2022

Kinetic model development and Bayesian uncertainty quantification for the complete reduction of Fe-based oxygen carriers with CH 4 , CO, and H 2 for chemical looping combustion

In this work, three kinetic models are developed and calibrated for the complete multi-step reduction of an Fe-based oxygen carrier (OC) particle with CH 4 , CO, and H 2 , using data from thermogravimetric analysis. The complete reduction rate profiles exhibit complex dynamics whose trajectory is significantly different depending on the reducing gas. A Bayesian model building and parameter estimation framework is applied for simultaneous parameter and model structure uncertainty quantification. The final models show excellent agreement between model predictions and calibration data, as well as new data not used for calibration (for the reduction of the OC with CH 4 ). Parameter uncertainty is quantified by determining joint posterior distribution, and model structure uncertainty is addressed by incorporating Gaussian process stochastic functions (represented by Bayesian smoothing splines) into the kinetic models. The final kinetic models with discrepancy functions are readily employable in equation-oriented simulation and optimization platforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Application of Lanczos vectors to control design of flexible structures

This report covers research conducted during the first year of the two-year grant. The research, entitled 'Application of Lanczos Vectors to Control Design of Flexible Structures' concerns various ways to obtain reduced-order mathematical models for use in dynamic response analyses and in control design studies. This report summarizes research described in several reports and papers that were written under this contract. Extended abstracts are presented for technical papers covering the following topics: controller reduction by preserving impulse response energy; substructuring decomposition and controller synthesis; model reduction methods for structural control design; and recent literature on structural modeling, identification, and analysis.

Craig, Roy R., Jr.↗
DOE OSTI2018

Experimental and kinetic analysis for particle scale modeling of a CuO-Fe 2 O 3 -Al 2 O 3 oxygen carrier during reduction with H 2 in chemical looping combustion applications [Experimental and kinetic analysis for particle scale modeling of a CuO-Fe 2 O 3 -Al 2 O 3 oxygen carrier during reduction with CO in chemical looping combustion applications]

A kinetic analysis of the H 2 reduction of a CuO-Fe 2 O 3 -Al 2 O 3 oxygen carrier in gas phase fueled Chemical Looping Combustion of synthesis gas was utilized to derive particle scale representation. An experimentally driven study was carried out to provide an array of operational data sets for kinetic modelling approaches. The impact of key operational variables on the kinetics of the novel oxygen carrier were examined, with emphasis on the application of reliable phenomena driven particle scale models to describe the reduction behavior. Due to the novel nature of the material, a series of experimental studies were carried out to provide a fundamental understanding of how the material changed as oxygen was depleted from the structure due to reduction with H 2 . This include quantification of the complex mixed metal oxide phase and changes due to lattice oxygen depletion. It was found that H 2 reduction occurs in a multistep process where CuFeAlO 4 → Cu 0+ + FeAl 2 O 4 → Cu 0+ + Fe 0+ + Al 2 O 3 as oxygen is depleted from the structure. This multistep process was successfully emulated through the use of a two interface Grainy pellet model in which reaction (kinetic) control was the main rate limiting step. This is validated through the examination of other potential rate limiting resistances. In conclusion, the model emulates changes in key operation variables with good accuracy.

42 ENGINEERING↗
DOE OSTI2023

Machine learning-based ethylene and carbon monoxide estimation, real-time optimization, and multivariable feedback control of an experimental electrochemical reactor

Electrochemical reduction of CO 2 gas is a novel CO 2 utilization technique that has the potential to mitigate the global climate crisis caused by anthropogenic CO 2 emissions, and enable the large-scale storage of energy generated from renewable sources in the form of carbon-based chemicals and fuels. However, due to the complexity of the electrochemical reactions, the explicit first-principles models for CO2 reduction are not available yet, and there has been a limited effort to develop process modeling, optimization and control of CO 2 electrochemical reactors. To this end, a rotating cylinder electrode (RCE) reactor has been constructed at UCLA to understand the mass transfer and reaction kinetics effects separately on the productivity. In the RCE reactor, the applied potential strongly influences the reaction energetics and the electrode rotation speed affects the hydrodynamic boundary layer and modifies the film mass transfer coefficient, which involves convective and diffusive transport. Further, the present work aims to develop a multi-input multi-output (MIMO) control scheme for the RCE reactor that integrates techniques from artificial and recurrent neural network modeling, nonlinear optimization, and process controller design. Specifically, production rates of two products from the experimental reactor, ethylene and carbon monoxide, are controlled by manipulating two inputs, applied potential and catalyst rotation speed. Process dynamics and controllability are analyzed, a feedback control strategy is designed and the controllers are tuned accordingly. The experimental electrochemical cell is employed to gather data for process modeling and implement the multivariable control system. Finally, the experimental results are presented which demonstrate excellent closed-loop performance by the control system and regulation of the outputs at three different set-points including an economically-optimal set-point.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Reductive Analysis with Compiler-Guided Large Language Models for Input-Centric Code Optimizations

Input-centric program optimization aims to optimize code by considering the relations between program inputs and program behaviors. Despite its promise, a long-standing barrier for its adoption is the difficulty of automatically identifying critical features of complex inputs. This paper introduces a novel technique, reductive analysis through compiler-guided Large Language Models (LLMs), to solve the problem through a synergy between compilers and LLMs. It uses a reductive approach to overcome the scalability and other limitations of LLMs in program code analysis. The solution, for the first time, automates the identification of critical input features without heavy instrumentation or profiling, cutting the time needed for input identification by 44× (or 450× for local LLMs), reduced from 9.6 hours to 13 minutes (with remote LLMs) or 77 seconds (with local LLMs) on average, making input characterization possible to be integrated into the workflow of program compilations. Optimizations on those identified input features show similar or even better results than those identified by previous profiling-based methods, leading to optimizations that yield 92.6% accuracy in selecting the appropriate adaptive OpenMP parallelization decisions, and 20-30% performance improvement of serverless computing while reducing resource usage by 50-60%.

Input-Centric Optimization↗
NASA NTRS1989

The determination of third order linear models from a seventh order nonlinear jet engine model

Results are presented that demonstrate how good reduced-order models can be obtained directly by recursive parameter identification using input/output (I/O) data of high-order nonlinear systems. Three different methods of obtaining a third-order linear model from a seventh-order nonlinear turbojet engine model are compared. The first method is to obtain a linear model from the original model and then reduce the linear model by standard reduction techniques such as residualization and balancing. The second method is to identify directly a third-order linear model by recursive least-squares parameter estimation using I/O data of the original model. The third method is to obtain a reduced-order model from the original model and then linearize the reduced model. Frequency responses are used as the performance measure to evaluate the reduced models. The reduced-order models along with their Bode plots are presented for comparison purposes.

Lalonde, Rick J.↗
NASA NTRS1995

Stormtime ring current and radiation belt ion transport: Simulations and interpretations

We use a dynamical guiding-center model to investigate the stormtime transport of ring current and radiation-belt ions. We trace the motion of representative ions' guiding centers in response to model substorm-associated impulses in the convection electric field for a range of ion energies. Our simple magnetospheric model allows us to compare our numerical results quantitatively with analytical descriptions of particle transport, (e.g., with the quasilinear theory of radial diffusion). We find that 10-145-keV ions gain access to L approximately 3, where they can form the stormtime ring current, mainly from outside the (trapping) region in which particles execute closed drift paths. Conversely, the transport of higher-energy ions (approximately greater than 145 keV at L approximately 3) turns out to resemble radial diffusion. The quasilinear diffusion coefficient calculated for our model storm does not vary smoothly with particle energy, since our impulses occur at specific (although randomly determined) times. Despite the spectral irregularity, quasilinear theory provides a surprisingly accurate description of the transport process for approximately greater than 145-keV ions, even for the case of an individual storm. For 4 different realizations of our model storm, the geometric mean discrepancies between diffusion coefficients D(sup sim, sub LL) obtained from the simulations and the quasilinear diffusion coefficient D(sup ql, sub LL) amount to factors of 2.3, 2.3, 1.5, and 3.0, respectively. We have found that these discrepancies between D(sup sim, sub LL) and D(sup ql, sub LL) can be reduced slightly by invoking drift-resonance broadening to smooth out the sharp minima and maxima in D(sup ql, sub LL). The mean of the remaining discrepancies between D(sup sim, sub LL) and D(sup ql, sub LL) for the 4 different storms then amount to factors of 1.9, 2.1, 1.5, and 2.7, respectively. We find even better agreement when we reduce the impulse amplitudes systematically in a given model storm (e.g., reduction of all the impulse amplitudes by half reduces the discrepancy factor by at least its square root) and also when we average our results over an ensemble of 20 model storms (agreement is within a factor of 1.2 without impulse-amplitude reduction). We use our simulation results also to map phase-space densities f in accordance with Liouville's theorem. We find that the stormtime transport of approximately greater than 145-keV ions produces little change in f-bar the drift-averaged phase-space density on any drift shell of interest. However, the stormtime transport produces a major enhancement from the pre-storm phase-space density at energies approximately 30-145 keV, which are representative of the stormtime ring current.

Lyons, Larry R.↗
DOE OSTI2022

Thermo-Hydro-Chemical Simulation of Mid-Ocean Ridge Hydrothermal Systems: Static 2D Models and Effects of Paleo-Seawater Chemistry

Decades of research have resulted in characterization of the ocean floor manifestations of mid-ocean ridge (MOR) hydrothermal systems, yet numerical models accounting for the connections between heat transfer, hydrology and geochemistry have been slow to develop. The Thermo-hydro-chemical code ToughReact can be used to describe the coupled effects of fluid flow, heat transfer, and fluid-rock chemical interactions that occur in MOR systems. We describe the results of 2-dimensional simulations of steady state flow in fractured diabase with mineral-fluid chemical reactions. Basal heating and specified permeability yield maximum temperature of 400°C. Total fluid flux and high fracture flow velocities are in accord with observations. Fluid chemistry, mineralogical changes and 87 Sr/ 86 Sr ratios can be compared to observations to assess and calibrate models. Simulated high temperature fracture fluids have Mg and SO 4 near zero, elevated Ca and 87 Sr/ 86 Sr of about 0.7040. Total alteration is 10%–50% for simple models of spreading. Anhydrite forms mainly near the base of the upwelling zone and results in substantial local fracture porosity reduction. A calibrated model is used to predict how Sr isotopes and other features of altered oceanic crust would be different in the Cretaceous (95 Ma) early Proterozoic (1,800 Ma) and Archean (3,800 Ma), when seawater may have had high Ca and Sr concentrations, lower pH, higher temperature, and lower Na, Mg, and SO 4 . The simulations are offered as a start on what ultimately may require a longer-term community effort to better understand the role of MOR thermo-hydro-chemical systems in Earth evolution.

58 GEOSCIENCES↗
DOE OSTI2016

The extended Baryon Oscillation Spectroscopic Survey: Variability selection and quasar luminosity function

The extended Baryon Oscillation Spectroscopic Survey of the Sloan Digital Sky Survey (SDSS-IV/eBOSS) has an extensive quasar program that combines several selection methods. Among these, the photometric variability technique provides highly uniform samples, which are unaffected by the redshift bias of traditional optical-color selections, when z = 2.7-3.5 quasars cross the stellar locus or when host galaxy light affects quasar colors at z< 0.9. We present the variability selection of quasars in eBOSS, focusing on a specific program that led to a sample of 13 876 quasars to g dered = 22.5 over a 94.5 deg 2 region in Stripe 82, which has an areal density 1.5 times higher than over the rest of the eBOSS footprint. We use these variability-selected data to provide a new measurement of the quasar luminosity function (QLF) in the redshift range of 0.68 g (z = 2) = -21.80 at low redshift and to M g (z = 2) = -26.20 at z ~ 4. We fit the QLF using two independent double-power-law models with ten free parameters each. The first model is a pure luminosity-function evolution (PLE) with bright-end and faint-end slopes allowed to be different on either side of z = 2.2. The other is a simple PLE at z< 2.2, combined with a model that comprises both luminosity and density evolution (LEDE) at z> 2.2. Both models are constrained to be continuous at z = 2.2. They present a flattening of the bright-end slope at high redshift. The LEDE model indicates a reduction of the break density with increasing redshift, but the evolution of the break magnitude depends on the parameterization. The models are in excellent accord, predicting quasar counts that agree within 0.3% (resp., 1.1%) to g< 22.5 (resp., g< 23). The models are also in good agreement over the entire redshift range with models from previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Experimental space weathering of regolith material

Significant advances in the understanding of space weathering processes were recently reported. Submicroscopic iron blebs were produced in lunar simulant glass and natural terrestrial minerals by high-temperature reduction in controlled atmosphere furnaces. These experiments altered the samples' optical properties and microtextures so that they resembled those of extremely mature lunar soil. The results contributed to a revised model for natural reduction in the regolith. Subsequently, supporting results were obtained by reduction of lunar samples. Research to date has focused on reduction of three lunar surface components: basalt, pyroclastic glass, and mare soil. An extensive set of H reduction experiments with simulants has led to a detailed understanding of reaction mechanisms and kinetics. Reduction experiments using lunar basalt were recently conducted by Carbotek. Reduced samples from these test were analyzed. Reduction experiments on lunar glass 74220 were run at temperatures of 900-1100 C. Reduction efficiency of volcanic glass proved to be a function of the sample's FeO abundance and reaction temperature. We also reduced mare soil 75061 at temperatures of 900-1050 C. Partial reduction of FeO in olivine and pyroxene occurred, but was slower and less complete than reduction of ilmenite. Our experiments on simulants and lunar samples have indicated that the most readily reduced phases in the regolith are ilmenite and glass. Based on initial tests with simulants we proposed refinements to the accepted model for space weathering of the regolith. The impact of a micrometeoroid flash heats and melts and ejects from the impact point a small volume of soil that contains trapped solar wind H and C. Reduction occurs rapidly, while the melt volume is still in motion. When a droplet encounters unmelted soil, it envelopes cold mineral grains. The melt is chilled rapidly. Our analyses of experimentally reduced lunar basalt, glass, and mare soil support the proposed model for space weathering.

Mckay, D. S.↗
DOE OSTI2016

Defense Waste Processing Facility (DWPF) Durability-Composition Models and the Applicability of the Associated Reduction of Constraints (ROC) Criteria for High TiO 2 Containing Glasses

Radioactive high-level waste (HLW) at the Savannah River Site (SRS) has successfully been vitrified into borosilicate glass in the DWPF since 1996. Vitrification requires stringent product/process (P/P) constraints since the glass cannot be reworked once it has been poured into ten foot tall by two foot diameter canisters. A unique “feed forward” statistical process control (SPC) was developed for this control rather than relying on statistical quality control (SQC). In SPC, the feed composition to the DWPF melter is controlled prior to vitrification. In SQC, the glass product would be sampled after it is vitrified. Individual glass property-composition models form the basis for the “feed forward” SPC. The models transform constraints on the melt and glass properties into constraints on the feed composition going to the melter in order to determine, at the 95% confidence level, that the feed will be processable and that the durability of the resulting waste form will be acceptable to a geologic repository. The DWPF SPC system is known as the Product Composition Control System (PCCS). One of the process models within PCCS is known as the Thermodynamic Hydration Energy Reaction MOdel (THERMO™). The DWPF will soon be receiving increased concentrations of TiO 2 -, Na 2 O-, and Cs 2 O-enriched wastes from the Salt Waste Processing Facility (SWPF). The SWPF has been built to pretreat the high-curie fraction of the salt waste to be removed from the HLW tanks in the F- and H-Area Tank Farms at the SRS. In order to validate the existing TiO 2 term in THERMO™ beyond 2.0 wt% in the DWPF, new durability data were developed over the target range of 2.00 to 6.00 wt% TiO 2 and evaluated against the 1995 durability model. The durability was measured by the 7-day Product Consistency Test. This study documents the adequacy of the existing THERMO™ terms. It is recommended that the modified THERMO™ durability models and the modified property acceptable region limits for the durability constraints be incorporated in the next revision of the technical bases for PCCS and then implemented into PCCS. It is also recommended that an reduction of constraints of 4 wt% Al 2 O 3 be implemented with no restrictions on the amount of alkali in the glass for TiO 2 values ≥2 wt%. The ultimate limit on the amount of TiO 2 that can be accommodated from SWPF will be determined by the three PCCS models, the waste composition of a given sludge batch, the waste loading of the sludge batch, and the frit used for vitrification.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Mechanistic Multiscale Uncertainty Propagation in Support of Accelerated Fuel Qualification

Taking a nuclear fuel concept through the research, development, and qualification stages has historically taken on the order of 20 to 25 years because of extensive irradiation tests required for a variety of conditions. The concept of accelerated fuel qualification (AFQ) has been proposed to increase the innovation pace for nuclear fuels. The goal of AFQ is not to replace the traditional qualification approach but rather to reduce the total number of experiments required to ensure approval from the regulatory authority. Of the many AFQ approaches being explored, advanced modeling—and, in particular, mechanistic modeling—is in a uniquely cross-cutting position to reduce the number of required integral tests through the inclusion of separate-effects testing, while helping to extrapolate reactor performance during rare events. We make the case that propagation of uncertainty through various computational length scales helps contextualize mechanistic modeling. We will utilize UO 2 fission gas diffusion predictions from the atomistically informed cluster dynamics code Centipede to inform fuel performance rodlet simulations using the BISON finite element code as the metric for showing how multiscale mechanistic uncertainty quantification can help reduce uncertainty in fuel performance. In conclusion, by quantifying uncertainty and its reduction through multiscale modeling, the qualification process may be accelerated through the reduction of costly irradiation experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2021

Reduced El NiñO Variability in the Mid-Pliocene According to the Pliomip2 Ensemble

The mid-Pliocene warm period (3.264–3.025 Ma) is the most recent geological period during which atmospheric CO 2 levels were similar to recent historical values (∼400 ppm). Several proxy reconstructions for the mid-Pliocene show highly reduced zonal sea surface temperature (SST) gradients in the tropical Pacific Ocean, indicating an El Niño-like mean state. However, past modelling studies do not show these highly reduced gradients. Efforts to understand mid-Pliocene climate dynamics have led to the Pliocene Model Intercomparison Project (PlioMIP). Results from the first phase (PlioMIP1) showed clear El Niño variability (albeit significantly reduced) and did not show the greatly reduced time-mean zonal SST gradient suggested by some of the proxies. In this work, we study El Niño–Southern Oscillation (ENSO) variability in the PlioMIP2 ensemble, which consists of additional global coupled climate models and updated boundary conditions compared to PlioMIP1. We quantify ENSO amplitude, period, spatial structure and “flavour”, as well as the tropical Pacific annual mean state in mid-Pliocene and pre-industrial simulations. Results show a reduced ENSO amplitude in the model-ensemble mean (−24 %) with respect to the pre-industrial, with 15 out of 17 individual models showing such a reduction. Furthermore, the spectral power of this variability considerably decreases in the 3–4-year band. The spatial structure of the dominant empirical orthogonal function shows no particular change in the patterns of tropical Pacific variability in the model-ensemble mean, compared to the pre-industrial. Although the time-mean zonal SST gradient in the equatorial Pacific decreases for 14 out of 17 models (0.2 ∘C reduction in the ensemble mean), there does not seem to be a correlation with the decrease in ENSO amplitude. The models showing the most “El Niño-like” mean state changes show a similar ENSO amplitude to that in the pre-industrial reference, while models showing more “La Niña-like” mean state changes generally show a large reduction in ENSO variability. The PlioMIP2 results show a reasonable agreement with both time-mean proxies indicating a reduced zonal SST gradient and reconstructions indicating a reduced, or similar, ENSO variability.

mid-Pliocene warm period↗
DOE OSTI2024

BioXTAS RAW 2 : new developments for a free open-source program for small-angle scattering data reduction and analysis

BioXTAS RAW is a free open-source program for reduction, analysis and modelling of biological small-angle scattering data. Here, the new developments in RAW version 2 are described. These include improved data reduction using pyFAI ; updated automated Guinier fitting and D max finding algorithms; automated series ( e.g. size-exclusion chromatography coupled small-angle X-ray scattering or SEC-SAXS) buffer- and sample-region finding algorithms; linear and integral baseline correction for series; deconvolution of series data using regularized alternating least squares ( REGALS ); creation of electron-density reconstructions using electron density via solution scattering ( DENSS ); a comparison window showing residuals, ratios and statistical comparisons between profiles; and generation of PDF reports with summary plots and tables for all analysis. Furthermore, there is now a RAW API, which can be used without the graphical user interface (GUI), providing full access to all of the functionality found in the GUI. In addition to these new capabilities, RAW has undergone significant technical updates, such as adding Python 3 compatibility, and has entirely new documentation available both online and in the program.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Resolving dynamic mineral-organic interactions in the rhizosphere by combining in-situ microsensors with plant-soil reactive transport modeling

Associations between minerals and organic matter represent one of the most important carbon storage mechanisms in soils. Plant roots are major sources of soil carbon, and resolving the dynamics and dominance of microbial consumption versus mineral sorption of root-derived carbon is critical to understanding soil carbon storage. Here we integrate in-situ rhizosphere microsensor and plant physiological measurements with a 3-D plant-soil reactive transport model to explore the fate of dissolved organic carbon (DOC) in the rhizosphere, particularly its microbial consumption and interaction with Fe oxide minerals. Over several days, a microdialysis probe sampling pore water at the root-soil interface of growing Vicia faba roots in live soil, revealed clear diel patterns of DOC concentration. Daytime DOC spikes coincided with peaks in leaf-level photosynthesis rates and were accompanied by declining redox potential and dissolved oxygen as well as increasing pH in the rhizosphere. Incorporating microsensor data into our modeling framework showed that the measured rapid loss of DOC after each mid-day spike could not be explained by consumption via aerobic respiration, nor via anaerobic respiration dominated by Fe oxide reduction. Rather, in the model, a large fraction of rhizosphere DOC was rapidly immobilized each day by adsorption to Fe oxides. Further, modeled microbial Fe reduction (fueled by DOC) did not mobilize significant organic carbon from Fe oxides during the day. Instead, the model predicted equilibrium desorption of organic carbon from Fe oxides at night. This new mechanistic modeling framework, which couples aboveground plant physiological measurements with non-destructive high-resolution monitoring of rhizosphere processes, has great potential for exploring the dynamics and balance of the various microbial reactions and mineral interactions controlling carbon transformations and storage in soils.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗