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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ensemble Effects on Hydroxide Bond Dissociation Free Energies in Polyoxovanadate Clusters

Understanding structure-property relationships is foundational to numerous modern chemistries, such as proton-coupled electron transfer (PCET). However, an experimentally measured property is the result of the behavior from an ensemble of molecules. Neglecting ensemble effects, especially under complex chemical environments, may obfuscate these relationships and lead to discrepancies between theory and experiment. In this work, we demonstrate the impact of configurational entropy and local chemical environments on hydroxide bond dissociation free energies [BDFE- (O−H)] for a set of polyoxovanadate nanoclusters, at ambient conditions. The O−H bond strengths are investigated via density functional theory (DFT) coupled with statistical thermodynamic analysis and bilinear modeling, and compared with previous experimental results on the same systems, namely electrochemical solutions of: [V 6 O 13−x (OH) x (TRIOL R ) 2 ] −2 (x = 2, 4, 6; R = NO 2 , Me) and [V 6 O 11−x (OMe) 2 (OH) x (TRIOL NO 2 ) 2 ] −2 (x = 2, 4). Interestingly, we find that ensemble effects, even at room temperature, can account for a significant portion of the BDFE(O−H) trend with the degree of reduction via H atom binding, which cannot be fully captured by single-structure, static DFT calculations. Moreover, we find that the ensemble effects may be replicated statistically, requiring only enumeration of energetically accessible H-binding sites. With the ensemble effects resolved, we present a simple bilinear model to reconcile remaining biases between experiment and ensemble-informed theory, which corelate with clusterspecific electronic environment differences. The bilinear model achieves outstanding accuracy vs experiments with a root-mean squared error of 0.4 kcal/mol. Finally, based on the physicochemical characteristics of hydrogen interaction with polyoxometalates, we present a simple methodology that captures the BDFE(O−H) trend while dramatically reducing required DFT calculations by 98% and achieving accuracy within 1 kcal/mol. Overall, this work elucidates the roles and structural origins of configurational entropy and chemical effects on polyoxometalate hydroxide bond energies, with potential applicability to various atomically precise metal oxide systems. Importantly, it introduces models for rapid and highly accurate property calculations in connection with experiments.

Cluster chemistry↗
DOE OSTI2017

Improvements to the WRF-Chem 3.5.1 model for quasi-hemispheric simulations of aerosols and ozone in the Arctic

In this study, the WRF-Chem regional model is updated to improve simulated short-lived pollutants (e.g., aerosols, ozone) in the Arctic. Specifically, we include in WRF-Chem 3.5.1 (with SAPRC-99 gas-phase chemistry and MOSAIC aerosols) (1) a correction to the sedimentation of aerosols, (2) dimethyl sulfide (DMS) oceanic emissions and gas-phase chemistry, (3) an improved representation of the dry deposition of trace gases over seasonal snow, and (4) an UV-albedo dependence on snow and ice cover for photolysis calculations. We also (5) correct the representation of surface temperatures over melting ice in the Noah Land Surface Model and (6) couple and further test the recent KF-CuP (Kain–Fritsch + Cumulus Potential) cumulus parameterization that includes the effect of cumulus clouds on aerosols and trace gases. The updated model is used to perform quasi-hemispheric simulations of aerosols and ozone, which are evaluated against surface measurements of black carbon (BC), sulfate, and ozone as well as airborne measurements of BC in the Arctic. The updated model shows significant improvements in terms of seasonal aerosol cycles at the surface and root mean square errors (RMSEs) for surface ozone, aerosols, and BC aloft, compared to the base version of the model and to previous large-scale evaluations of WRF-Chem in the Arctic. These improvements are mostly due to the inclusion of cumulus effects on aerosols and trace gases in KF-CuP (improved RMSE for surface BC and BC profiles, surface sulfate, and surface ozone), the improved surface temperatures over sea ice (surface ozone, BC, and sulfate), and the updated trace gas deposition and UV albedo over snow and ice (improved RMSE and correlation for surface ozone). DMS emissions and chemistry improve surface sulfate at all Arctic sites except Zeppelin, and correcting aerosol sedimentation has little influence on aerosols except in the upper troposphere.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2021

Post-Landing Major Element Quantification Using SuperCam Laser Induced Breakdown Spectroscopy

The SuperCam instrument on the PerseveranceMars 2020 rover uses a pulsed 1064 nm laser to ablate targets at a distance and conduct laser induced breakdown spectroscopy (LIBS) by analyzing the light from the resulting plasma. SuperCam LIBS spectra are preprocessed to remove ambient light, noise, and the continuum signal present in LIBS observations. Prior to quantification, spectra are masked to remove noisier spectrometer regions andspectra are normalized to minimize signal fluctuations and effectsof target distance.In some cases, the spectra are also standardized or binned prior to quantification. To determine quantitative elemental compositionsof diverse geologic materials at Jezero crater, Mars, we use a suite of 1198 laboratory spectra of 334 well-characterized reference samples. The samples were selected to span a wide range of compositions and include typical silicate rocks, pure minerals (e.g.,silicates, sulfates, carbonates, oxides),more unusual compositions (e.g.,Mn oreand sodalite), andreplicates of the sintered SuperCam calibration targets (SCCTs) onboardthe rover. For each major element (SiO2, TiO2, Al2O3, FeOT, MgO, CaO, Na2O, K2O), the database was subdivided into five“folds” with similar distributions of the element of interest. One fold was held out as an independent test set, and the remaining fourfolds were used to optimize multivariate regression models relating the spectrum to the composition. We considered a variety of models, and selected several for further investigation for each element, based primarily on the root mean squared error of prediction (RMSEP) on the test set, when analyzed at 3m. In cases with several models of comparable performance at 3 m, we incorporated the SCCT performance at different distances to choose the preferred model. Shortly after landing on Mars and collecting initial spectra of geologic targets, we selected one model per element. Subsequently, with additional data from geologic targets, some models were revised to ensure results that are more consistent with geochemical constraints. The calibration discussed here is a snapshot of an ongoing effort to deliver the most accurate chemical compositions with SuperCam LIBS.

Mars 2020↗
DOE OSTI2016

Improved representations of coupled soil–canopy processes in the CABLE land surface model (Subversion revision 3432)

CABLE is a global land surface model, which has been used extensively in offline and coupled simulations. While CABLE performs well in comparison with other land surface models, results are impacted by decoupling of transpiration and photosynthesis fluxes under drying soil conditions, often leading to implausibly high water use efficiencies. Here, we present a solution to this problem, ensuring that modelled transpiration is always consistent with modelled photosynthesis, while introducing a parsimonious single-parameter drought response function which is coupled to root water uptake. We further improve CABLE's simulation of coupled soil–canopy processes by introducing an alternative hydrology model with a physically accurate representation of coupled energy and water fluxes at the soil–air interface, including a more realistic formulation of transfer under atmospherically stable conditions within the canopy and in the presence of leaf litter. The effects of these model developments are assessed using data from 18 stations from the global eddy covariance FLUXNET database, selected to span a large climatic range. Here, marked improvements are demonstrated, with root mean squared errors for monthly latent heat fluxes and water use efficiencies being reduced by 40 %. Results highlight the important roles of deep soil moisture in mediating drought response and litter in dampening soil evaporation.

58 GEOSCIENCES↗
DOE OSTI2025

Data-Driven State of Health Estimation for Second-Life Batteries Using Interpolated Synthetic Data and Feature Selection

Accurate estimation of the State of Health (SOH) for second-life batteries (SLBs) is crucial given their increasing use in energy storage applications. Precise SOH prediction is essential for safe operation and robust battery management systems. A major challenge is the limited availability of datasets for building reliable degradation models. To address this, synthetic data generation through linear interpolation is performed to extend the available data, making it more representative of real-world battery operating conditions. By analyzing feature correlation with SOH, the most relevant features are selected for the model. The proposed approach employs a convolutional neural network (CNN) model trained on this interpolated, feature-selected dataset, using time series data of voltage, temperature, and current over a cycle. By focusing on highly correlated features, the model achieves over 95% accuracy, with mean absolute error and root mean squared error up to 2.27% and 2.64%, respectively, in SOH estimation for two battery datasets tested. These results highlight the potential of combining synthetic data generation and feature selection to enhance SOH predictions, showcasing the superior performance of the proposed CNN model for both new batteries and SLBs.

feature selection↗
NASA NTRS1990

Measured forces and moments on a delta wing during pitch-up

A series of low-speed wind tunnel tests on a 70-deg, sharp, leading-edge delta wing undergoing ramp pitching motion of high amplitude were performed to investigate the aerodynamic forces and moments. Forces and moments were obtained from a six-component interanl balance. Large amplitude oscillatory motion was produced by sinusoidally oscillating the model over a range of reduced frequencies. Ramp motion was produced by pitching the model through a half cycle of sinusoidal motion at a root chord Reynolds number of 1.54 million. The effect of ramp and oscillatory motions on the forces and moments are almost identical at matched pitch rates. Pitch rate had strong effect on the magnitude of the aerodynamic forces and moments. Upon completion of the model motion, some time is required for the forces and moments to decay to their static values. This convergence of the dynamic values to the static ones was a function of the pitch rate.

Bragg, M. B.↗
NASA NTRS2012

Photogrammetry Measurements During a Tanking Test on the Space Shuttle External Tank, ET-137

On November 5, 2010, a significant foam liberation threat was observed as the Space Shuttle STS-133 launch effort was scrubbed because of a hydrogen leak at the ground umbilical carrier plate. Further investigation revealed the presence of multiple cracks at the tops of stringers in the intertank region of the Space Shuttle External Tank. As part of an instrumented tanking test conducted on December 17, 2010, a three dimensional digital image correlation photogrammetry system was used to measure radial deflections and overall deformations of a section of the intertank region. This paper will describe the experimental challenges that were overcome in order to implement the photogrammetry measurements for the tanking test in support of STS-133. The technique consisted of configuring and installing two pairs of custom stereo camera bars containing calibrated cameras on the 215-ft level of the fixed service structure of Launch Pad 39-A. The cameras were remotely operated from the Launch Control Center 3.5 miles away during the 8 hour duration test, which began before sunrise and lasted through sunset. The complete deformation time history was successfully computed from the acquired images and would prove to play a crucial role in the computer modeling validation efforts supporting the successful completion of the root cause analysis of the cracked stringer problem by the Space Shuttle Program. The resulting data generated included full field fringe plots, data extraction time history analysis, section line spatial analyses and differential stringer peak ]valley motion. Some of the sample results are included with discussion. The resulting data showed that new stringer crack formation did not occur for the panel examined, and that large amounts of displacement in the external tank occurred because of the loads derived from its filling. The measurements acquired were also used to validate computer modeling efforts completed by NASA Marshall Space Flight Center (MSFC).

Littell, Justin D.↗
DOE OSTI2017

Earth System Model Needs for Including the Interactive Representation of Nitrogen Deposition and Drought Effects on Forested Ecosystems

One of the biggest uncertainties of climate change is determining the response of vegetation to many co-occurring stressors. In particular, many forests are experiencing increased nitrogen deposition and are expected to suffer in the future from increased drought frequency and intensity. Interactions between drought and nitrogen deposition are antagonistic and non-additive, which makes predictions of vegetation response dependent on multiple factors. The tools we use (Earth system models) to evaluate the impact of climate change on the carbon cycle are ill equipped to capture the physiological feedbacks and dynamic responses of ecosystems to these types of stressors. In this manuscript, we review the observed effects of nitrogen deposition and drought on vegetation as they relate to productivity, particularly focusing on carbon uptake and partitioning. We conclude there are several areas of model development that can improve the predicted carbon uptake under increasing nitrogen deposition and drought. This includes a more flexible framework for carbon and nitrogen partitioning, dynamic carbon allocation, better representation of root form and function, age and succession dynamics, competition, and plant modeling using trait-based approaches. These areas of model development have the potential to improve the forecasting ability and reduce the uncertainty of climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Post-landing major element quantification using SuperCam laser induced breakdown spectroscopy

The SuperCam instrument on the Perseverance Mars 2020 rover uses a pulsed 1064 nm laser to ablate targets at a distance and conduct laser induced breakdown spectroscopy (LIBS) by analyzing the light from the resulting plasma. SuperCam LIBS spectra are preprocessed to remove ambient light, noise, and the continuum signal present in LIBS observations. Prior to quantification, spectra are masked to remove noisier spectrometer regions and spectra are normalized to minimize signal fluctuations and effects of target distance. In some cases, the spectra are also standardized or binned prior to quantification. To determine quantitative elemental compositions of diverse geologic materials at Jezero crater, Mars, we use a suite of 1198 laboratory spectra of 334 well-characterized reference samples. The samples were selected to span a wide range of compositions and include typical silicate rocks, pure minerals (e.g., silicates, sulfates, carbonates, oxides), more unusual compositions (e.g., Mn ore and sodalite), and replicates of the sintered SuperCam calibration targets (SCCTs) onboard the rover. For each major element (SiO 2 , TiO 2 , Al 2 O 3 , FeO T , MgO, CaO, Na 2 O, K 2 O), the database was subdivided into five “folds” with similar distributions of the element of interest. One fold was held out as an independent test set, and the remaining four folds were used to optimize multivariate regression models relating the spectrum to the composition. We considered a variety of models, and selected several for further investigation for each element, based primarily on the root mean squared error of prediction (RMSEP) on the test set, when analyzed at 3 m. In cases with several models of comparable performance at 3 m, we incorporated the SCCT performance at different distances to choose the preferred model. Shortly after landing on Mars and collecting initial spectra of geologic targets, we selected one model per element. Subsequently, with additional data from geologic targets, some models were revised to ensure results that are more consistent with geochemical constraints. The calibration discussed here is a snapshot of an ongoing effort to deliver the most accurate chemical compositions with SuperCam LIBS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Optimal control model predictions of system performance and attention allocation and their experimental validation in a display design study

The influence of different types of predictor displays in a longitudinal vertical takeoff and landing (VTOL) hover task is analyzed in a theoretical study. Several cases with differing amounts of predictive and rate information are compared. The optimal control model of the human operator is used to estimate human and system performance in terms of root-mean-square (rms) values and to compute optimized attention allocation. The only part of the model which is varied to predict these data is the observation matrix. Typical cases are selected for a subsequent experimental validation. The rms values as well as eye-movement data are recorded. The results agree favorably with those of the theoretical study in terms of relative differences. Better matching is achieved by revised model input data.

Johannsen, G.↗
NASA NTRS2011

MesoNAM Verification Phase II

The 45th Weather Squadron Launch Weather Officers use the 12-km resolution North American Mesoscale model (MesoNAM) forecasts to support launch weather operations. In Phase I, the performance of the model at KSC/CCAFS was measured objectively by conducting a detailed statistical analysis of model output compared to observed values. The objective analysis compared the MesoNAM forecast winds, temperature, and dew point to the observed values from the sensors in the KSC/CCAFS wind tower network. In Phase II, the AMU modified the current tool by adding an additional 15 months of model output to the database and recalculating the verification statistics. The bias, standard deviation of bias, Root Mean Square Error, and Hypothesis test for bias were calculated to verify the performance of the model. The results indicated that the accuracy decreased as the forecast progressed, there was a diurnal signal in temperature with a cool bias during the late night and a warm bias during the afternoon, and there was a diurnal signal in dewpoint temperature with a low bias during the afternoon and a high bias during the late night.

Watson, Leela R.↗
DOE OSTI2019

Effects of Atmospheric Fallout on Lead Contamination of Wheat Tissues Based on Stable Isotope Ratios

In order to trace the source of Pb pollution in wheat, the contribution ratio of soil and atmospheric fallout source was quantified based on stable isotope ratios. Results showed that the average Pb content of soil was significantly lower than that of fallout, and Pb in the fallout had a higher weak acid fraction than soil. Pb in wheat had a distinct distribution in its tissues and the content of Pb in wheat roots was significantly higher than it in shoots. The {sup 206}Pb/{sup 207}Pb ratio of soil was significantly higher than that in atmospheric fallout (p < 0.05). According to a binary mixing model, the {sup 206}Pb/{sup 207}Pb ratio in wheat roots, leaves, and grains reflect 67%, 65%, and 90% of Pb content contributions from fallout, respectively. This results suggest that fallout Pb was absorbed by wheat leaves and transferred to other organs, and it is important to develop effective strategies to control fallout Pb risks.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1984

A dynamic model for plant growth: validation study under changing temperatures

A dynamic simulation model to describe vegetative growth of plants, for which some functions and parameter values have been estimated previously by optimization search techniques and numerical experimentation based on data from constant temperature experiments, is validated under conditions of changing temperatures. To test the predictive capacity of the model, dry matter accumulation in the leaves, stems, and roots of tobacco plants (Nicotiana tabacum L.) was measured at 2- or 3-day intervals during a 5-week period when temperatures in controlled-environment rooms were programmed for changes at weekly and daily intervals and in ascending or descending sequences within a range of 14 to 34 degrees C. Simulations of dry matter accumulation and distribution were carried out using the programmed changes for experimental temperatures and compared with the measured values. The agreement between measured and predicted values was close and indicates that the temperature-dependent functional forms derived from constant-temperature experiments are adequate for modelling plant growth responses to conditions of changing temperatures with switching intervals as short as 1 day.

NASA Discipline Number 60-40↗
NASA NTRS2014

Estimation of Crop Gross Primary Production (GPP): I. Impact of MODIS Observation Footprint and Impact of Vegetation BRDF Characteristics

Accurate estimation of gross primary production (GPP) is essential for carbon cycle and climate change studies. Three AmeriFlux crop sites of maize and soybean were selected for this study. Two of the sites were irrigated and the other one was rainfed. The normalized difference vegetation index (NDVI), the enhanced vegetation index (EVI), the green band chlorophyll index (CIgreen), and the green band wide dynamic range vegetation index (WDRVIgreen) were computed from the moderate resolution imaging spectroradiometer (MODIS) surface reflectance data. We examined the impacts of the MODIS observation footprint and the vegetation bidirectional reflectance distribution function (BRDF) on crop daily GPP estimation with the four spectral vegetation indices (VIs - NDVI, EVI, WDRVIgreen and CIgreen) where GPP was predicted with two linear models, with and without offset: GPP = a × VI × PAR and GPP = a × VI × PAR + b. Model performance was evaluated with coefficient of determination (R2), root mean square error (RMSE), and coefficient of variation (CV). The MODIS data were filtered into four categories and four experiments were conducted to assess the impacts. The first experiment included all observations. The second experiment only included observations with view zenith angle (VZA) ≤ 35◦ to constrain growth of the footprint size,which achieved a better grid cell match with the agricultural fields. The third experiment included only forward scatter observations with VZA ≤ 35◦. The fourth experiment included only backscatter observations with VZA ≤ 35◦. Overall, the EVI yielded the most consistently strong relationships to daily GPP under all examined conditions. The model GPP = a × VI × PAR + b had better performance than the model GPP = a × VI × PAR, and the offset was significant for most cases. Better performance was obtained for the irrigated field than its counterpart rainfed field. Comparison of experiment 2 vs. experiment 1 was used to examine the observation footprint impact whereas comparison of experiment 4 vs. experiment 3 was used to examine the BRDF impact. Changes in R2, RMSE,CV and changes in model coefficients "a" and "b" (experiment 2 vs. experiment 1; and experiment 4 vs. experiment 3) were indicators of the impacts. The second experiment produced better performance than the first experiment, increasing R2 (↑0.13) and reducing RMSE (↓0.68 g C m−2 d−1) and CV (↓9%). For each VI, the slope of GPP = a × VI × PAR in the second experiment for each crop type changed little while the slope and intercept of GPP = a × VI × PAR + b varied field by field. The CIgreen was least affected by the MODIS observation footprint in estimating crop daily GPP (R2, ↑0.08; RMSE, ↓0.42 g C m−2 d−1; and CV, ↓7%). Footprint most affected the NDVI (R2, ↑0.15; CV, ↓10%) and the EVI (RMSE, ↓0.84 g C m−2 d−1). The vegetation BRDF impact also caused variation of model performance and change of model coefficients. Significantly different slopes were obtained for forward vs. backscatter observations, especially for the CIgreen and the NDVI. Both the footprint impact and the BRDF impact varied with crop types, irrigation options, model options and VI options.

Chlorophyll↗
DOE OSTI2024

Simulated plant-mediated oxygen input has strong impacts on fine-scale porewater biogeochemistry and weak impacts on integrated methane fluxes in coastal wetlands

Methane (CH 4 ) emissions from wetland ecosystems are controlled by redox conditions in the soil, which are currently underrepresented in Earth system models. Plant-mediated radial oxygen loss (ROL) can increase soil O 2 availability, affect local redox conditions, and cause heterogeneous distribution of redox-sensitive chemical species at the root scale, which would affect CH 4 emissions integrated over larger scales. In this study, we used a subsurface geochemical simulator (PFLOTRAN) to quantify the effects of incorporating either spatially homogeneous ROL or more complex heterogeneous ROL on model predictions of porewater solute concentration depth profiles (dissolved organic carbon, methane, sulfate, sulfide) and column integrated CH 4 fluxes for a tidal coastal wetland. From the heterogeneous ROL simulation, we obtained 18% higher column averaged CH 4 concentration at the rooting zone but 5% lower total CH 4 flux compared to simulations of the homogeneous ROL or without ROL. This difference is because lower CH 4 concentrations occurred in the same rhizosphere volume that was directly connected with plant-mediated transport of CH 4 from the rooting zone to the atmosphere. Sensitivity analysis indicated that the impacts of heterogeneous ROL on model predictions of porewater oxygen and sulfide concentrations will be more important under conditions of higher ROL fluxes or more heterogeneous root distribution (lower root densities). Despite the small impact on predicted CH 4 emissions, the simulated ROL drastically reduced porewater concentrations of sulfide, an effective phytotoxin, indicating that incorporating ROL combined with sulfur cycling into ecosystem models could potentially improve predictions of plant productivity in coastal wetland ecosystems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2012

Integrated Flight/Structural Mode Control for Very Flexible Aircraft Using L1 Adaptive Output Feedback Controller

This paper explores application of adaptive control architecture to a light, high-aspect ratio, flexible aircraft configuration that exhibits strong rigid body/flexible mode coupling. Specifically, an L(sub 1) adaptive output feedback controller is developed for a semi-span wind tunnel model capable of motion. The wind tunnel mount allows the semi-span model to translate vertically and pitch at the wing root, resulting in better simulation of an aircraft s rigid body motion. The control objective is to design a pitch control with altitude hold while suppressing body freedom flutter. The controller is an output feedback nominal controller (LQG) augmented by an L(sub 1) adaptive loop. A modification to the L(sub 1) output feedback is proposed to make it more suitable for flexible structures. The new control law relaxes the required bounds on the unmatched uncertainty and allows dependence on the state as well as time, i.e. a more general unmatched nonlinearity. The paper presents controller development and simulated performance responses. Simulation is conducted by using full state flexible wing models derived from test data at 10 different dynamic pressure conditions. An L(sub 1) adaptive output feedback controller is designed for a single test point and is then applied to all the test cases. The simulation results show that the L(sub 1) augmented controller can stabilize and meet the performance requirements for all 10 test conditions ranging from 30 psf to 130 psf dynamic pressure.

Che, Jiaxing↗
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↗