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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Zero Magnetic Field Plateau Phase Transition in Higher Chern Number Quantum Anomalous Hall Insulators

The plateau-to-plateau transition in quantum Hall effect under high magnetic fields is a celebrated quantum phase transition between two topological states. It can be achieved by either sweeping the magnetic field or tuning the carrier density. The recent realization of the quantum anomalous Hall (QAH) insulators with tunable Chern numbers introduces the channel degree of freedom to the dissipation-free chiral edge transport and makes the study of the quantum phase transition between two topological states under zero magnetic field possible. Here, we synthesized the magnetic topological insulator (TI)/TI pentalayer heterostructures with different Cr doping concentrations in the middle magnetic TI layers using molecular beam epitaxy. By performing transport measurements, we found a potential plateau phase transition between C=1 and C=2 QAH states under zero magnetic field. In tuning the transition, the Hall resistance monotonically decreases from h/e2 to h/2e 2 , concurrently, the longitudinal resistance exhibits a maximum at the critical point. Our results show that the ratio between the Hall resistance and the longitudinal resistance is greater than 1 at the critical point, which indicates that the original chiral edge channel from the C=1 QAH state coexists with the dissipative bulk conduction channels. Subsequently, these bulk conduction channels appear to self-organize and form the second chiral edge channel in completing the plateau phase transition. Our study will motivate further investigations of this novel Chern number change-induced quantum phase transition and advance the development of the QAH chiral edge current-based electronic and spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Thermodynamic Modeling of Point Defects in Triple Conducting Perovskite Ba 0.95 La 0.05 FeO 3- $_δ$ with Incorporation of the Hydride Defect Formation Reaction for Solid Oxide Cells

Distinct from the proton defect, the hydride defect species may be present in certain perovskite materials in reducing environments such as in fuel electrodes of solid oxide cells (SOCs) or on the reducing side of ceramic membranes. A generalized defect thermodynamic model was developed for the triple-conducting perovskites (La,Ba)Fe 1-x M x O 3-δ (M = Y and Zr) to allow inclusion of the hydride defect formation reaction in addition to the other three main defect reactions, namely, the oxygen vacancy formation, hydration, and charge disproportionation reactions. This comprehensive defect model also allows the incorporation of polynomial functional forms of oxygen nonstoichiometry δ to describe the defect reaction energies and entropies and to enable refinements of the defect reaction equilibrium constants in the defect thermodynamic analysis. As a first step, the developed model is applied to the Ba 0.95 La 0.05 FeO 3-δ material as an illustrative system to obtain its Brouwer diagrams with both the proton and hydride defects in relevant SOC conditions, particularly for more reducing environments. In conclusion, the results provide direct guidance on the influence of electronic and ionic defect concentrations upon thermodynamic properties and ultimately on the performance of Ba 0.95 La 0.05 FeO 3-δ and potentially other (La,Ba)Fe 1-x M x O 3-δ perovskite materials involved in SOC applications.

25 ENERGY STORAGE↗
DOE OSTI2023

Implementing and Improving CBMZ-MAM3 Chemistry and Aerosol Modules in the Regional Climate Model WRF-CAM5: An Evaluation over the Western US and Eastern North Pacific

The representation of aerosols in climate-chemistry models is important for air quality and climate change research, but it can require significant computational resources. The objective of this study was to improve the representation of aerosols in climate–chemistry models, specifically in the carbon bond mechanism, version Z (CBMZ), and modal aerosol modules with three lognormal modes (MAM3) in the WRF-CAM5 model. The study aimed to enhance the model’s chemistry capabilities by incorporating biomass burning emissions, establishing a conversion mechanism between volatile organic compounds (VOCs) and secondary organic carbons (SOCs), and evaluating its performance against observational benchmarks. The results of the study demonstrated the effectiveness of the enhanced chemistry capabilities in the WRF-CAM5 model. Six simulations were conducted over the western U.S. and northeastern Pacific region, comparing the model’s performance with observational benchmarks such as reanalysis, ground-based, and satellite data. The findings revealed a significant reduction in root-mean-square errors (RMSE) for surface concentrations of black carbon (BC) and organic carbon (OC). Specifically, the model exhibited a 31% reduction in RMSE for BC concentrations and a 58% reduction in RMSE for OC concentrations. These outcomes underscored the importance of accurate aerosol representation in climate-chemistry models and emphasized the potential for improving simulation accuracy and reducing errors through the incorporation of enhanced chemistry modules in such models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Pitting Propagation Behavior on Low Alloy AISI 4130 (UNS G41300) Steel Exposed to Various Alkali and Alkaline Earth Metal Chlorides

Pit propagation studies were conducted to elucidate whether alkali and alkali earth metal cations such as Na+ and Rb+ present in the form of metal chloride salts such as RbCl affect pitting behavior in distinctly different manner than NaCl. Pit propagation studies were conducted on a low alloy steel using one-dimensional (1-D) pit method over pit depths from 300-1000 µm. LSV and EIS of planar electrodes of 4130 in a range of Cl- solutions were conducted and revealed no detected differences in impedance, open circuit, corrosion potential (Ecorr), passive current density (ipass), and pitting potential (Epit) as a function of salt type. In the case of one-dimensional pits during fast downward scan rates, the saturation potential (Esat) varied as a function of cation identity when pit depths were shallow. Mass transported limited current density also differed with cations in shallow pits when various alkali metal and alkaline metal cations were present. The limiting current density was increased for RbCl relative to NaCl The pit surface potential (Esurf) of activated pit surfaces reached Ecorr prior to establishing a condition where the pit electrolyte surface concentration (Csurf) was less than the critical concentration for active acidified pitting (i.e. Csurf<Ccrit) in this marginally passivating steel. For various Esurf and pit current density (ipit) combinations at constant Csurf where Ccrit< Csurf < Csat, E-log(i) plots were constructed using the method of Tianshu to create IR ohmic voltage corrected Tafel plots for various fixed pit solution concentrations. Under these conditions, the influence of cation identity on charge transfer controlled kinetics indicated slight differences in Tafel behavior where RbCl was slightly more aggressive than NaCl for low alloy steel oxidation. Differences in metal cation identity exert no effect on passive or breakdown on planar electrodes and only effect pit propagation stage in shallow pits.

Demarest, Chalres↗
DOE OSTI2022

Selected results from full-core hydrogen redistribution asymptotic analysis in YH-moderated heat-pipe cooled microreactor

Yttrium hydride is the main candidate for moderation of high temperature nuclear microreactors . This is due to its high thermal stability and relatively high hydrogen retention at temperatures exceeding 870 C. One of the main issues associated with the use of yttrium hydride is that, when exposed to temperature, stress, or concentration gradients, the hydrogen contained in the metallic matrix tends to redistribute and leak from the moderating elements, potentially leading to reactivity losses and power swings. This paper is focused on presenting selected results from the asymptotic hydrogen redistribution analysis performed on the Simplified Microreactor Benchmark Assessment (SiMBA) problem, a microreactor core conceptual design developed at INL. The analysis is based on full core analysis, relies uniquely on Bison to perform hydrogen redistribution calculations, and discusses the physical causes of the reactivity feedback. It was found that the feedback is negative, but it is one order of magnitude lower than the one found for the empire reactor unit-cell. This is due to the lower axial temperature gradient together with the effect of the reflector.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Allometric-kinetic model predictions of concentration ratios for anthropogenic radionuclides across animal classes and food selection

Protection of the environment from radiation fundamentally relies on dose assessments for non-human biota. These dose assessments use measured or predicted concentrations of radionuclides in soil or water combined with Concentration Ratios (CRs) to estimate tissue concentrations in animals and plants, yet there is a paucity of CR data relative to the vast number of potential taxa and radioactive contaminants in the environment and their taxon-specific ecosystems. Because there are many taxa each having very different behaviors and biology and many possible bioavailable radionuclides, CRs have the potential to vary by orders-of-magnitude, as often seen in published data. Given the diversity of taxa, the International Commission on Radiological Protection (ICRP) has categorized non-human biota into 12 representative organisms (ROs), while the U.S. Department of Energy (DOE) uses the non-taxon specific categories of terrestrial, riparian, and aquatic animals. The question we examine here is: do these categorizations adequately “represent” the broad diversity of animals? To explore this question, here we analyze an Allometric-Kinetic (A-K) model to calculate radionuclide-specific CRs for common animal classes which are then further subcategorized into herbivores, omnivores, carnivores, and invertebrate detritivores. Comparisons in CRs among animal classes exhibited only small differences, but there was order of magnitude differences between herbivores, carnivores, and especially detritivores, for many radionuclides of interest. These findings suggest that the ICRP ROs and the DOE categories are reasonable, but their accuracy could be improved by including sub-categories related to animal dietary ecology. Finally, comparisons of A-K model predicted CR values to published CRs show order-of-magnitude variations, providing justification for additional studies of assimilation across radionuclides and animal classes.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

Study of Potentiometry for Monitoring Activity of GdCl 3 in Molten LiCl-KCl Salt

In pyroprocessing spent nuclear fuels by electrorefining in molten LiCl-KCl salt, it is desired to monitor in real time the UCl 3 concentration in the salt for safeguards purposes. Current chemical analysis of the highly radioactive salt for electrorefining by an inductively coupled plasma technique is inconvenient and usually time-consuming in generating the salt composition results. In this paper, we evaluated whether a simple potentiometry approach can be used for real-time monitoring the concentration of GdCl 3 , which was used as a surrogate for UCl 3 , in LiCl-KCl-GdCl 3 salt by measuring the open circuit potential of a Gd metal electrode with respect to a Ag/AgCl reference electrode (RE) when GdCl 3 salt was incrementally added to the LiCl-KCl salt. Additions of LaCl 3 , CeCl 3 and NdCl 3 salts were used for evaluating the effects of other chloride salts on the selectivity of the Gd metal electrode vs Ag/AgCl RE. While using potentiometry to determine GdCl 3 concentrations, Gd metal was unexpectedly observed to be unstable and dissolved in LiCl-KCl salt when GdCl 3 is present.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

New red phosphor ceramic K 2 SiF 6 :Mn 4+

We report a new transparent ceramic phosphor for use in LED lighting has been fabricated. The previously reported and optimized narrow-emitting red phosphor, K 2 SiF 6 :Mn 4+ (KSF), has been consolidated into a transparent ceramic phosphor for the first time, accomplished via hot-pressing the feedstock phosphor powder in a die under vacuum. KSF ceramics were fabricated with varying doping concentrations of Mn 4+ and their properties studied. The absorption and emission spectra of the ceramics were identical to the feedstock phosphor powders and are ideal for LED lighting with strong absorption at 450 nm and narrow emission around 630 nm. The absorbance of the ceramics was directly proportional to the doping concentration. The ceramics were excited at various blue light fluxes and their emission intensities measured to study the effect of Mn 4+ concentration on intensity-driven “droop” in the emission output. The ceramics with a lower Mn 4+ doping were more efficient under higher light fluxes due to a decrease in Auger upconversion losses. KSF ceramics can allow a much longer path length of the diode light through the phosphor, as compared to phosphor-in-silicone, enabling the use of low optical absorption and the associated reduced activator concentration. The ceramics are measured to have a thermal conductivity of ~1.0 W/m-K, higher than that of phosphor-in-silicone or phosphor-in-glass. Several of these properties make KSF ceramics potentially desirable for use in white light LEDs. Greater thermal conductivity helps with heat dissipation, the lower surface area of the ceramic compared to the powder minimizes the environmental vulnerability of KSF, and the ability to lower the Mn 4+ concentration reduces Auger recombination losses and mitigates the temperature rise, particularly at higher light flux.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Comparative analysis of various pretreatments to mitigate fouling and scaling in membrane distillation

Membrane distillation (MD) has shown strong promise for treating hypersaline produced water (PW) streams. Scaling and fouling on the membrane surface, however, have been identified as major challenges for commercialization and widespread application. The focus of this study was to first identify the nature of foulants and scalants on the membrane surface and then investigate the pretreatment strategies that mitigate the extent of fouling and scaling on the membrane surface. Vacuum MD (VMD) was selected for this study because of its higher flux at more moderate feed temperatures that eventually leads better assessment of fouling and scaling on the membrane surface. VMD flux tests were carried out with three different real PW samples at total dissolved solids concentrations in the range of 120-160 g/L. It was found that an efficient pretreatment prior to MD is required to mitigate the fouling potential of the organic matter, mostly suspended constituents, in PW samples. Suspended organics fouled and quickly wetted the MD membrane. Major conventional treatments, including filtration, oxidation, coagulation, air floatation, and aeration were investigated to pretreat the PW before VMD tests. A comprehensive comparative analysis is presented showing that the ultrafiltration and coagulation pretreatments displayed the best performance in mitigating the fouling and scaling, while oxidative pretreatment was found to be effective in reducing the iron concentration to less than 5 ppm. The surface of scaled membranes was carefully characterized to further evaluate the performance of each pretreatment. The components that had the highest tendency to precipitate on the membrane surface were identified as strontium sulfate, calcium carbonate, sodium chloride, iron oxide, and silica. In closing, these findings are supported by thermodynamic estimation of the saturation index.

42 ENGINEERING↗
DOE OSTI2023

Effect of Temperature on Thrombogenicity Testing of Biomaterials in an In Vitro Dynamic Flow Loop System

To develop and standardize a reliable in vitro dynamic thrombogenicity test protocol, the key test parameters that could impact thrombus formation need to be investigated and understood. In this study, we evaluated the effect of temperature on the thrombogenic responses (thrombus surface coverage, thrombus weight, and platelet count reduction) of various materials using an in vitro blood flow loop test system. Whole blood from live sheep and cow donors was used to assess four materials with varying thrombogenic potentials: negative-control polytetrafluoroethylene (PTFE), positive-control latex, silicone, and high-density polyethylene (HDPE). Blood, heparinized to a donor-specific concentration, was recirculated through a polyvinyl chloride tubing loop containing the test material at room temperature (22–24°C) for 1 hour, or at 37°C for 1 or 2 hours. The flow loop system could effectively differentiate a thrombogenic material (latex) from the other materials for both test temperatures and blood species ( p < 0.05). However, compared with 37°C, testing at room temperature appeared to have slightly better sensitivity in differentiating silicone (intermediate thrombogenic potential) from the relatively thromboresistant materials (PTFE and HDPE, p < 0.05). These data suggest that testing at room temperature may be a viable option for dynamic thrombogenicity assessment of biomaterials and medical devices.

Engineering↗
DOE OSTI2026

Contrasting effects of glutamate and branched-chain amino acid metabolism on acid tolerance in a Castellaniella isolate from acidic groundwater

Groundwater acidification co-occurring with nitrate pollution is a common, global environmental health hazard. Denitrifying bacteria have been leveraged for the in situ removal of nitrate in groundwater. However, co-existing stressors—such as low pH—reduce the efficacy of biological removal processes. Castellaniella sp. str. MT123 is a complete denitrifier that was isolated from acidic, nitrate-contaminated groundwater. The strain grows robustly by nitrate respiration at pH < 6.0, completely reducing nitrate to dinitrogen gas. Genomic analyses of MT123 revealed few previously characterized acid tolerance genes. Thus, we utilized a combination of proteomics, metabolomics, and competitive mutant fitness to characterize the genetic mechanisms of MT123 acclimation to growth under mildly acidic conditions. We found that glutamate accumulation is critical in the acid acclimation of MT123, possibly through consumption of intracellular protons via glutamate decarboxylation to GABA. This is despite the fact that MT123 lacks the canonical glutamate decarboxylase-glutamate/GABA antiporter system implicated in acid tolerance in other bacteria. In contrast, branched-chain amino acid (BCAA) accumulation was detrimental to cell growth at lower pHs, possibly through indirect mechanisms impacting the cellular glutamate pool. Genetic analysis previously linked MT123 to a population of Castellaniella that bloomed—concurrent to nitrate removal—during a biostimulation effort to reduce groundwater nitrate concentrations at MT123’s location of origin. Thus, our analyses provide novel insight into mechanisms of acclimation to acidic conditions in a strain with significant potential for nitrate bioremediation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Chemical Composition and Mixing State of Wintertime Aerosol from the European Arctic Site of Ny-Ålesund, Svalbard

The Arctic is rapidly warming, and aerosols play an increasingly important role by scattering and absorbing sunlight and by participating in cloud formation. Their optical and cloud-forming properties depend on the mixing state and chemical composition, but observations of these features remain limited. This study comprehensively characterizes 25,254 individual particles collected at Ny-Ålesund, Svalbard (November −December 2020), using microspectroscopy techniques to investigate their size, morphology, mixing state, and chemical composition. Fresh sea salt aerosols (SSA) were identified as the most abundant (∼85%), of the total observed aerosol population, with potential sources from sea spray and blowing snow. Air masses originating from the Arctic Ocean surrounding Svalbard likely contribute to increased concentrations of sub-micrometer “Fresh SSA” particles. “Aged SSA” particles (7.4%) are enriched in sulfur and nitrogen, compared to “Fresh SSA”. These elevated ratios may result from various atmospheric aging processes including the uptake of sulfuric and nitric acids. Here, our results suggest that aged SSA, with sizes larger than 300 nm, likely underwent chlorine depletion by sulfuric and nitric acids during transport. Additionally, elemental analysis reveals that both fresh and aged SSA can mix with dust particles, regardless of the SSA size (49.9% in sub-micrometer size and 50.1% in super-micrometer size, respectively). Dust particles are efficient ice-nucleating particles (INPs), and SSA is known to act as cloud condensation nuclei (CCN), and therefore, their mixtures may inherit both properties. The non-negligible number (4.4%) of SSA-dust mixtures underscores the importance of these particles as potential sources of CCN and INP in the Arctic atmosphere.

Arctic↗
DOE OSTI2025

Advanced Brine Processing to Enable U.S. Lithium Independence (CRADA Report)

Current production of LiOH, which is needed to make Li-ion battery cathode active materials, utilizes a multistep process including solar evaporation, precipitation with Na 2 CO 3 and then conversion to LiOH using Ca(OH) 2 . This process requires a large amount of land area for solar evaporation, the right weather conditions, and chemicals for the conversion process that result in NaCl and CaCO 3 waste products. The production of Ca(OH) 2 is very energy intensive and evolves significant quantities of CO 2 . An alternative process flow utilizing direct lithium extraction techniques, followed by a chemical free conversion process can have benefits in reducing the needed land requirements and chemicals for traditional brine processing. There are many potential direct lithium extraction technologies that are currently being developed. The direct lithium extraction process from typical brine sources will produce a LiCl solution with some impurities including typically high concentrations of Na. This brine then needs to be converted to LiOH for use in battery cathode production. Ideally this conversion could occur without the use of additional chemicals. Electrochemistry can do this conversion either via electrolysis or bipolar membrane electrodialysis (BPED) to produce LiOH and HCl in solution. BPED utilized bipolar membranes to split water, which has a reduced potential as compared to splitting water at electrodes into hydrogen and oxygen gas. This reduced potential required results in a significant energy savings for BPED over electrolysis methods. This CRADA project aimed to develop such an integrated process using direct lithium extraction followed by BPED to produce a LiOH solution. That solution can then be crystallized into battery grade LiOH. In particular, Albemarle utilized a direct lithium extraction process to produce a concentrated LiCl solution that could be used for the BPED process. The BPED process was first tested using various LiCl solutions with impurity ions added at bench scale to understand the effects of impurities and determine processing parameters. Then testing was performed using the direct lithium extracted brine at the bench scale before scaling the process up. After the process was scaled up a long duration test was carried out to estimate the lifetime of the membranes, which is key to the economics of the BPED process.

25 ENERGY STORAGE↗
DOE OSTI2021

Optimum concentration of fly ash nanoparticles to stabilize CO 2 foams for aquifer and soil remediation

Contamination caused by non-aqueous phase liquids (NAPLs) in aquifers and soil is an important challenge that requires effective remediation techniques. One potential approach is through the use of CO 2 foams to displace NAPLs from permeable media. CO 2 foams generated only by surfactants are not stable enough for the efficient removal of NAPLs contamination. This shortcoming may be alleviated via the use of nanoparticles (NPs)-surfactant mixtures as a stabilizing agent. This work focuses on the evaluation of the optimum concentration of fly ash nanoparticles for stabilizing CO 2 foam with the combined action of the surfactant. The performance of this foam is evaluated in remediating a contaminated 41 mm × 36 mm surrogate permeable medium in a microfluidic device. Mixtures of fly ash, a by-product of coal-burning power plants, and alpha-olefin sulfonate (AOS) and lauramidopropyl betaine (LAPB) surfactants are used to generate stable foams. The results show that a 1000 mg/L AOS-LAPB surfactant solution along with 1000 mg/L of fly ash NPs produces the best performance. Formation of deposits in the matrix is observed. These deposits, which are more prominent at higher NP concentrations, appear to adversely affect displacement, displacement efficiency and remediation of the medium. This study demonstrates that using fly ash nanoparticles and optimizing their concentration can effectively stabilize CO 2 foams and improve the displacement efficiency for aquifer and soil remediation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The Impact of Surficial Biochar Treatment on Acute H2S Emissions during Swine Manure Agitation before Pump-Out: Proof-of-the-Concept

Acute releases of hydrogen sulfide (H2S) are of serious concern in agriculture, especially when farmers agitate manure to empty storage pits before land application. Agitation can cause the release of dangerously high H2S concentrations, resulting in human and animal fatalities. To date, there is no proven technology to mitigate these short-term releases of toxic gas from manure. In our previous research, we have shown that biochar, a highly porous carbonaceous material, can float on manure and mitigate gaseous emissions over extended periods (days–weeks). In this research, we aim to test the hypothesis that biochar can mitigate H2S emissions over short periods (minutes–hours) during and shortly after manure agitation. The objective was to conduct proof-of-the-concept experiments simulating the treatment of agitated manure. Two biochars, highly alkaline and porous (HAP, pH 9.2) made from corn stover and red oak (RO, pH 7.5), were tested. Three scenarios (setups): Control (no biochar), 6 mm, and 12 mm thick layers of biochar were surficially-applied to the manure. Each setup experienced 3 min of manure agitation. Real-time concentrations of H2S were measured immediately before, during, and after agitation until the concentration returned to the initial state. The results were compared with those of the Control using the following three metrics: (1) the maximum (peak) flux, (2) total emission from the start of agitation until the concentration stabilized, and (3) the total emission during the 3 min of agitation. The Gompertz’s model for determination of the cumulative H2S emission kinetics was developed. Here, 12 mm HAP biochar treatment reduced the peak (1) by 42.5% (p = 0.125), reduced overall total emission (2) by 17.9% (p = 0.290), and significantly reduced the total emission during 3 min agitation (3) by 70.4%. Further, 6 mm HAP treatment reduced the peak (1) by 60.6%, and significantly reduced overall (2) and 3 min agitation’s (3) total emission by 64.4% and 66.6%, respectively. Moreover, 12 mm RO biochar treatment reduced the peak (1) by 23.6%, and significantly reduced overall (2) and 3 min total (3) emission by 39.3% and 62.4%, respectively. Finally, 6 mm RO treatment significantly reduced the peak (1) by 63%, overall total emission (2) by 84.7%, and total emission during 3 min agitation (3) by 67.4%. Biochar treatments have the potential to reduce the risk of inhalation exposure to H2S. Both 6 and 12 mm biochar treatments reduced the peak H2S concentrations below the General Industrial Peak Limit (OSHA PEL, 50 ppm). The 6 mm biochar treatments reduced the H2S concentrations below the General Industry Ceiling Limit (OSHA PEL, 20 ppm). Research scaling up to larger manure volumes and longer agitation is warranted.

Chen, Baitong (ORCID:0000000266071253)↗
DOE OSTI2020

Contaminant Transport Modeling for Technology Evaluation and Long-Term Monitoring in the Tims Branch Testbed, SC - 20343

Studies conducted at U.S. DOE sites have shown the presence of heavy metals, radionuclides, and volatile organic compounds in surface water, groundwater, and soil as a result of nuclear activity in the Cold War era. Since the 1990's, innovative cleanup methods have been implemented in the Tims Branch watershed at Savannah River Site (SRS) to limit the contaminant flux to the stream that have reduced the contaminant concentrations to acceptable regulatory levels in the dissolved phase. A tin-based treatment which effectively eliminated all local anthropogenic mercury inputs to this ecosystem resulted in a known step function addition of inert tin oxide particles which now serve as a potential tracer for sedimentation and particle transport processes in the stream. The long-term effectiveness of this and other remediation techniques and the potential for remobilization of adsorbed contaminant in sediment during extreme hydrologic conditions however remains unclear. It is therefore important to understand not only the fate and transport of dissolved contaminants, but also the movement of sediment and the relevant interactions with dissolved contaminant. To narrow this knowledge gap, a study is being conducted using the Tims Branch watershed as a stream-scale ecosystem test-bed to identify the primary transport processes of major contaminants of concern (such as mercury, nickel and uranium) with an emphasis on interactions with sediment transport. This involves the development of a fully distributed hydrologic watershed model of the Tims Branch watershed to predict streamflow under extreme weather conditions, as well as the development of a comprehensive contaminant transport model that can properly account for coupled contaminant and sediment transport. Review of relevant research reports and peer-reviewed journals revealed that aside from advection-dispersion transport of dissolved contaminants, adsorption and desorption with suspended solids and bed sediment also play an important role in the transport of those contaminants of concern. To develop the fully distributed hydrologic watershed model, the MIKE SHE 2-dimensional (2D) land surface/3D groundwater model that simulates surface/subsurface hydrologic processes (such as overland flow, evapotranspiration, and infiltration) was coupled with a 1D streamflow model that accounts for stream water hydraulics (such as hydraulic structures, cross-sections, and network). To model contaminant transport, the MIKE 11 streamflow component was coupled with the MIKE 11 AD module that simulates solute transport through advection and dispersion, and MIKE ECO Lab module that accounts for both sediment transport and interactions with dissolved contaminant. At this stage, the development and optimization of the fully distributed hydrologic model has been completed, achieving satisfactory statistical results between observed and predicted discharge as indicated by a root mean square error (RMSE) of 0.039 cms and a Nash-Sutcliffe efficiency coefficient (NSE) of 0.764. The ongoing development of the contaminant transport model has also yielded realistic results from preliminary tests. Results from this study are a key to evaluating the effectiveness of tin (II)-based mercury treatment of wetlands at the SRS site, and are also relevant to evaluating the potential of using this type of novel remediation technology in other mercury-contaminated stream systems. Knowledge acquired from this research will also support interpretation of historical data on the trends of contaminant concentration distribution in Tims Branch, particularly considering the effect of extreme hydrological events on the stream flow and pollutant transport. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Root exudate composition reflects drought severity gradient in blue grama (Bouteloua gracilis)

Abstract Plant survival during environmental stress greatly affects ecosystem carbon (C) cycling, and plant–microbe interactions are central to plant stress survival. The release of C-rich root exudates is a key mechanism plants use to manage their microbiome, attracting beneficial microbes and/or suppressing harmful microbes to help plants withstand environmental stress. However, a critical knowledge gap is how plants alter root exudate concentration and composition under varying stress levels. In a greenhouse study, we imposed three drought treatments (control, mild, severe) on blue grama ( Bouteloua gracilis Kunth Lag. Ex Griffiths), and measured plant physiology and root exudate concentration and composition using GC–MS, NMR, and FTICR. With increasing drought severity, root exudate total C and organic C increased concurrently with declining predawn leaf water potential and photosynthesis. Root exudate composition mirrored the physiological gradient of drought severity treatments. Specific compounds that are known to alter plant drought responses and the rhizosphere microbiome mirrored the drought severity-induced root exudate compositional gradient. Despite reducing C uptake, these plants actively invested C to root exudates with increasing drought severity. Patterns of plant physiology and root exudate concentration and composition co-varied along a gradient of drought severity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Controls on Soil Organic Matter Degradation and Subsequent Greenhouse Gas Emissions Across a Permafrost Thaw Gradient in Northern Sweden

Warming-induced permafrost thaw could enhance microbial decomposition of previously stored soil organic matter (SOM) to carbon dioxide (CO 2 ) and methane (CH 4 ), one of the most significant potential feedbacks from terrestrial ecosystems to the atmosphere in a changing climate. The environmental parameters regulating microbe-organic matter interactions and greenhouse gas (GHG) emissions in northern permafrost peatlands are however still largely unknown. The objective of this work is to understand controls on SOM degradation and its impact on porewater GHG concentrations across the Stordalen Mire, a thawing peat plateau in Northern Sweden. Here, we applied high-resolution mass spectrometry to characterize SOM molecular composition in peat soil samples from the active layers of a Sphagnum-dominated bog and rich fen sites in the Mire. Microbe-organic matter interactions and porewater GHG concentrations across the thaw gradient were controlled by aboveground vegetation and soil pH. An increasingly high abundance of reduced organic compounds experiencing greater humification rates due to enhanced microbial activity were observed with increasing thaw, in parallel with higher CH 4 and CO 2 porewater concentrations. Bog SOM however contained more Sphagnum-derived phenolics, simple carbohydrates, and organic- acids. The low degradation of bog SOM by microbial communities, the enhanced SOM transformation by potentially abiotic mechanisms, and the accumulation of simple carbohydrates in the bog sites could be attributed in part to the low pH conditions of the system associated with Sphagnum mosses. We show that Gibbs free energy of C half reactions based on C oxidation state for OM can be used as a quantifiable measure for OM decomposability and quality to enhance current biogeochemical models to predict C decomposition rates. We found a direct association between OM chemical diversity and δ 13 C-CH 4 in peat porewater; where higher substrate diversity was positively correlated with enriched δ 13 C-CH 4 in fen sites. Oxidized sulfur-containing compounds, produced by Sphagnum, were further hypothesized to control GHG emissions by acting as electron acceptors for a sulfate-reducing electron transport chain, inhibiting methanogenesis in peat bogs. These results suggest that warming-induced permafrost thaw might increase organic matter lability, in subset of sites that become wetlands, and shift biogeochemical processes toward faster decomposition with an increasing proportion of carbon released as CH 4 .

54 ENVIRONMENTAL SCIENCES↗