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At least 1,531 records · Page 85

Thermal properties of U-Mo alloys irradiated under high fission power density

A variety of physical and thermal property measurements made on irradiated U-Mo alloy monolithic fuel samples with a Zr diffusion barrier and clad in Al alloy 6061 are reported. These properties form the basis for additional investigations in thermal behavior of U-Mo fuel under high performance research reactor irradiation conditions. Measurements were performed on samples harvested from fuel plates irradiated under high fission power density and surface heat flux and complement previous measurements on samples subjected to moderate fission power density and surface heat flux. Specific heat capacity of irradiated monolithic U-Mo increases with increasing temperature and fission density, but carries large uncertainties associated with thickness measurements used to determine the mass fraction of the layer constituents for extraction of the U-Mo specific heat capacity, specifically the very thin and nonuniform Zr diffusion barrier. Density of irradiated monolithic U-Mo decreases with increasing fission density resulting from fission gas swelling and porosity formation. Thermal diffusivity of irradiated monolithic U-Mo increased with increasing temperature and decreased with increasing fission density. Thermal conductivity of irradiated monolithic U-Mo increased with increasing temperature, and in general, appeared to decrease and become less sensitive to temperature with increasing fission density. Thermal conductivity measurements compared to a semi-empirical model agreed within ±30%. It is suspected that the main driver in deviation between model calculations and measurements is the fission gas swelling determination, which does not account for fission power density or irradiation temperature.

uranium (U), molybdenum, nuclear fuel, thermal con↗

Design considerations for high entropy alloys in advanced nuclear applications

The demanding operating environments of advanced nuclear reactors require the development of new nuclear materials that can withstand their increased physical, chemical, thermal, and radiation-related challenges. High-entropy alloys (HEAs) have shown often-impressive mechanical, thermomechanical, and corrosion-resistant properties, and offer a massive, unexplored compositional space which allows for the targeted development of application-specific materials. Furthermore, although still in a nascent stage, research has shown that HEAs may exhibit unique irradiation tolerance, including reduced defect production and resistance to irradiation-induced swelling and hardening. The mechanisms behind this increased tolerance are not yet well-understood, although the HEA-specific attributes of a complex energy landscape, reduced thermal conductivity, and shift in defect migration energies and pathways provide promising explanations. Here this work assesses the current and future challenges faced by structural nuclear materials, identifying the specific applications in which HEAs may provide a competitive advantage compared to industry-standard materials with the aid of Ashby material selection maps. Considerations are provided for the design of future nuclear HEAs, including calculations of nuclear-relevant properties to assist in the initial down-selection of elements depending on application requirements (e.g., low neutron capture for in-core applications), narrowing the existing compositional space of HEAs to a manageable scope.

36 MATERIALS SCIENCE↗

New Synthesis Strategies to Improve Co-Free LiNi0.5Mn0.5O2 Cathodes: Early Transition Metal d0 Dopants and Manganese Pyrophosphate Coating

In this work, we report solution-based doping and coating strategies to improve the electrochemical performance of the Co-free layered oxide cathode LiNi0.5Mn0.5O2 (LNMO). Small amounts of d0 dopants (e.g., Mo6+and Ti4+, 0.5-1 at. %) increase the cathode’s specific capacity, cycling stability, and rate capability. More specifically, a Mo-doped cathode with the nominal composition LiNi0.495Mn0.495Mo0.01O2 achieves a high reversible capacity of 180 mAh/g at 20 mA/g with good retention at higher rates (e.g., 120 mAh/g at 100 mA/g). Effects of 1 at.% Mo dopant on the cathode structure were studied using a suite of characterization tools including X-ray diffraction (XRD), Raman spectroscopy, and transmission electron microscopy (TEM). These measurements demonstrate that Mo6+ reduces Li+/Ni2+cation mixing and mitigates undesirable phase transformations near the cathode surface during cycling. This work also reports the use of an inorganic Mn2P2O7 coating which enhances cycling stability, presumably through formation of a stable cathode electrolyte interphase (CEI) layer. Overall, the synthesis approaches reported herein are quite general and can potentially be expanded to other high voltage LIB cathodes.

Co-free cathodes, d0 cation, pyrophosphate coating↗

A Poisson equation method for prescribing fully developed non-Newtonian inlet conditions for computational fluid dynamics simulations in models of arbitrary cross-section

Prescribing inlet boundary conditions for computational fluid dynamics (CFD) simulations of internal flow in complex geometries such as anatomical vascular models is challenging. In the absence of patient-specific inlet velocity data, a common approach for long blood vessels is to assume that the inlet flow is fully developed. In vessels of irregular cross section, however, prescribing fully developed conditions is complicated due to the lack of a general closed-form analytical solution. In this study, we develop a simple Poisson equation method for prescribing fully developed inlet conditions for the flow of either Newtonian or non-Newtonian fluids in CFD models of arbitrary cross-section. We first derive the generalized Poisson equation for fully developed flow of a non-Newtonian fluid and we then develop and verify a methodology for numerically computing the solution on any planar boundary domain. In addition, we develop a simple extension of the method for prescribing a non-orthogonal inlet velocity that represents fully developed flow from an upstream tube that is connected to the CFD inlet at a non-orthogonal angle. This may be used to investigate a common source of uncertainty in CFD simulations of internal flow that is due to a lack of information concerning the exact streamwise flow direction at the inlets. Comparison to several Newtonian and non-Newtonian benchmark verification solutions shows the method to be extremely accurate. As a practical demonstration case, we use the method to prescribe fully developed conditions on multiple non-circular inlets for the non-Newtonian flow of blood in a patient-specific model of the inferior vena cava (IVC). Finally, we further demonstrate the utility of the method by performing a sensitivity study using the patient-specific IVC model, wherein we investigate the influence of inlet velocity flow direction on the non-Newtonian IVC hemodynamics. Given its simplicity and computational efficiency, the method is shown to be far superior to alternative approaches for prescribing fully developed inlet conditions in such complicated geometries. In conclusion, to facilitate the adoption of our Poisson equation method, we have distributed our OpenFOAM source code and the associated test cases from this study as open-source software.

97 MATHEMATICS AND COMPUTING↗

Protecting groups in insertion chemistry: Site-selective positioning of lithium ions in intercalation hosts

The expanding toolbox of functionalization chemistries for selectively installing moieties on specific sites of a substrate underpins almost all modern organic and biochemical syntheses. Likewise, the installation of mobile guest ions in specific interstitial sites and their transport along specific diffusion pathways forms the basis of modern lithium (Li)-ion battery electrodes. Many insertion hosts afford a diverse range of accessible interstitial sites. However, site-selective positioning of cations with atomic precision remains almost entirely unexplored. Here, we show that by deciphering site preferences of co/pre-intercalated cations, we can position Li ions in four distinct sites within a 1D ζ-V 2 O 5 insertion host. The use of topochemistry to effect single-crystal-to-single-crystal transformations enables atomic-resolution mapping of the selective positioning of Li ions through single-crystal X-ray diffraction. Here we image interstitial sites that are occupied at high depths of discharge, thereby obtaining unprecedented structural insight into “fully stuffed” frameworks critical for the realization of high-energy-density intercalation electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Achieving stable all-solid-state lithium-metal batteries by tuning the cathode-electrolyte interface and ionic/electronic transport within the cathode

All-solid-state batteries with sulfide electrolytes and high-nickel layered oxide cathodes attract much interest due to their high specific energy. However, their cycling performance is primarily influenced by the interface between the sulfide electrolyte and the high-Ni layered oxide particles, which requires the use of composite cathodes with high ionic and electronic conductivities to achieve a kinetically stable interface inside the cathode. Here, we apply Ti 2 O 3 particles to the high-Ni cathode LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM811), where Ti 2 O 3 not only acts as an electronic conductor to provide a fast diffusion path for electrons in the composite cathode, but also absorbs the lattice oxygen released from NCM811 cathode during cycling, stabilizing the Li 6 PS 5 Cl/NCM811 interface and suppressing electrolyte oxidation. The as-modified cathode exhibits an initial specific capacity of 192 mAh g -1 and retains 166 mAh g -1 after 140 cycles at 0.1C rate with a good capacity retention of 86.5%. Furthermore, the composite cathode displays high rate capability even at 1C rate. By contrast, the unmodified Li 6 PS 5 Cl/NCM811 cathode shows poor cycling performance with only 130 mAh g -1 remaining after 130 cycles. This work provides a new direction for the design of cathodes for all-solid-state batteries that can deliver high specific energy with long cycle life.

25 ENERGY STORAGE↗

Influence of oxidizing and reducing pretreatment on the catalytic performance of CeO 2 for CO oxidation

Cerium oxide (CeO 2 ) and ceria-based materials have been extensively investigated as catalyst and support materials for various catalytic reactions, due to higher oxygen storage capacity and excellent redox properties. In the current work, we investigated the impact of pretreatment conditions (e.g., oxidation and reduction) on the physical properties of bulk CeO 2 and catalytic activity for CO oxidation as a model reaction. To understand the physical properties of pretreated CeO 2 catalysts, a suite of complementary characterization techniques, including X-ray diffraction (XRD), surface area analysis (BET), X-ray photoemission spectroscopy (XPS), and Raman spectroscopy, were applied. The results showed that a higher pretreatment temperature led to a decreased specific surface area (SSA), a decrease in oxygen vacancy/defect sites, and increased crystallite size, while surface Ce 3+ /Ce 4+ ratio did not show a specific relationship to the treatment conditions. The 700 °C treated CeO 2 samples under oxidizing and reducing conditions showed higher specific oxidation rate (μmolCO/s/m 2 ) compared to other samples at 280 and 300 °C (or < 15% CO conversion). The CO conversion per total mass of catalysts, however, decreased with increasing temperatures, especially at 700 °C under reducing condition, indicating that the catalytic performance was affected by the physical properties (SSA, oxygen vacancy/defect sites, and crystallite size).

36 MATERIALS SCIENCE↗

Transcriptional networks underlying a primary ovarian insufficiency disorder in alligators naturally exposed to EDCs

Interactions between the endocrine system and environmental contaminants are responsible for impairing reproductive development and function. Despite the taxonomic diversity of affected species and attendant complexity inherent to natural systems, the underlying signaling pathways and cellular consequences are mostly studied in lab models. To resolve the genetic and endocrine pathways that mediate affected ovarian function in organisms exposed to endocrine disrupting contaminants in their natural environments, we assessed broad-scale transcriptional and steroidogenic responses to exogenous gonadotropin stimulation in juvenile alligators (Alligator missippiensis) originating from a lake with well-documented pollution (Lake Apopka, FL) and a nearby reference site (Lake Woodruff, FL). Here, we found that individuals from Lake Apopka are characterized by hyperandrogenism and display hyper-sensitive transcriptional responses to gonadotropin stimulation when compared to individuals from Lake Woodruff. Site-specific transcriptomic divergence appears to be driven by wholly distinct subsets of transcriptional regulators, indicating alterations to fundamental genetic pathways governing ovarian function. Consistent with broad-scale transcriptional differences, ovaries of Lake Apopka alligators displayed impediments to folliculogenesis, with larger germinal beds and decreased numbers of late-stage follicles. After resolving the ovarian transcriptome into clusters of co-expressed genes, most site-associated modules were correlated to ovarian follicule phenotypes across individuals. However, expression of two site-specific clusters were independent of ovarian cellular architecture and are hypothesized to represent alterations to cell-autonomous transcriptional programs. Collectively, our findings provide high resolution mapping of transcriptional patterns to specific reproductive function and advance our mechanistic understanding regarding impaired reproductive health in an established model of environmental endocrine disruption.

59 BASIC BIOLOGICAL SCIENCES↗

Hierarchically structured MoO 2 /dopamine-derived carbon spheres as intercalation electrodes for lithium-ion batteries

A hydrogen peroxide initiated sol-gel process involving molybdenum transformation in the presence of dopamine (Dopa) hydrochloride excess produced the metastable precipitate composed of polydopamine (PDopa) spheres coated with Dopa preintercalated molybdenum oxide, (Dopa) x MoO y @PDopa. The hydrothermal treatment (HT) of the (Dopa) x MoO y @PDopa precursor resulted in the simultaneous carbonization of Dopa and molybdenum reduction generating MoO 2 nanoplatelets distributed and confined on the surface of the Dopa-derived carbon matrix (HT-MoO 2 /C). The consecutive annealing (An) of the HT-MoO 2 /C sample at 600 °C under Ar atmosphere led to the formation of MoO 2 with increased Mo oxidation state and improved structural stability (AnHT-MoO 2 /C). Annealing had also further facilitated interaction between the molybdenum-derived and Dopa-derived components resulting in the modification of the carbon matrix confirmed by Raman spectroscopy. Morphology of both materials is best described as Dopa-derived carbon spheres decorated with MoO 2 nanoplatelets. These integrated metal oxide and carbon structures were tested as electrodes for lithium-ion batteries in the potential window that corresponds to the intercalation mechanism of charge storage. The AnHT-MoO 2 /C electrode showed enhanced electrochemical activity, with an initial specific discharge capacity of 260 mAh/g and capacity retention of 67% after 50 cycles, compared to the HT-MoO 2 /C electrode which exhibited an initial specific discharge capacity of 235 mAh g –1 and capacity retention of 47% after 50 cycles. The rate capability experiments revealed that the capacity of 93 mAh/g and 120 mAh/g was delivered by the HT-MoO 2 /C and AnHT-MoO 2 /C electrodes, respectively, when the current density was increased to 100 mA/g. Here, the improved specific capacity, electrochemical stability, and rate capability achieved after annealing were attributed to higher crystallinity of MoO 2 , increased oxidation state of Mo, and formation of the tighter MoO 2 /carbon contact accompanied by the annealing assisted interaction between MoO 2 and Dopa-derived carbon.

25 ENERGY STORAGE↗

A practical phosphorus-based anode material for high-energy lithium-ion batteries

State-of-the-art lithium-ion batteries cannot satisfy the increasing energy demand worldwide because of the low specific capacity of the graphite anode. Silicon and phosphorus both show much higher specific capacity; however, their practical use is significantly hindered by their large volume changes during charge/discharge. Although significant efforts have been made to improve their cycle life, the initial coulombic efficiencies of the reported Si-based and P-based anodes are still unsatisfactory (<90%). In this study, by using a scalable high-energy ball milling approach, we report a practical hierarchical micro/nanostructured P-based anode material for high-energy lithium-ion batteries, which possesses a high initial coulombic efficiency of 91% and high specific capacity of ~2500 mAh g –1 together with long cycle life and fast charging capability. In situ high-energy X-ray diffraction and in situ single-particle charging/discharging were used to understand its superior lithium storage performance. Moreover, proof-of-concept full-cell lithium-ion batteries using such an anode and a LiNi 0.6 Co 0.2 Mn 0.2 O 2 cathode were assembled to show their practical use. The findings presented here can serve as a good guideline for the future design of high-performance anode materials for lithium-ion batteries.

25 ENERGY STORAGE↗

Seismic isolation: A pathway to standardized advanced nuclear reactors

Standardizing advanced nuclear reactors is a pathway to substantially reducing their overnight capital cost and achieving parity with other power sources, including renewables and fossil fuels. The seismic load case has thwarted standardization of nuclear power plants because site-specific seismic hazard and local near-surface geology has triggered soil-structure-interaction analysis, design, equipment qualification, regulatory review, and licensing, ensuring that each build is different. To achieve standardized or site-independent certified advanced reactor designs, the impact of the seismic load case on the engineering and construction cost and time must be substantially mitigated. Seismic isolation is a mature technology that has been used for more than 30 years in non-nuclear sectors to substantially reduce earthquake demands in buildings and other infrastructure. In this paper, seismic isolation is used to enable standardization of advanced reactor designs, aimed at the complete re-use of a site-independent, certified design and repeated procurement of safety-class equipment. A pathway to standardized designs using seismic isolation is demonstrated for two fundamentally different advanced reactors: a molten salt reactor and a high temperature gas reactor. Each reactor building is equipped with three specialized pieces of safety-class equipment, namely, a reactor vessel, a steam generator, and a control rod drive mechanism housing that is attached to the reactor head. Analysis is performed per ASCE and ASME standards to design the buildings and the equipment for two base conditions: conventional (fixed base) and base isolated. The impact of the seismic load case is characterized for the reinforced concrete walls in the buildings and for the equipment, measured using vessel wall thickness and horizontal accelerations. Here the analysis results show that the fixed-base buildings, designed for a site of low seismic hazard (peak ground acceleration, PGA = 0.15 g) could be constructed at a site of much greater seismic hazard (PGA = 0.7 g) if seismic base isolation is employed. Importantly, the scope of the site-specific analysis, design, and qualification would be limited to the seismic isolators and the isolated substructure, drastically reducing plant-specific engineering, review, and licensing, and time to construction start. Regulatory challenges and opportunities with standardized reactor designs are identified.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Progress in end-to-end optimization of fundamental physics experimental apparata with differentiable programming

In this article we examine recent developments in the research area concerning the creation of end-to-end models for the complete optimization of measuring instruments. The models we consider rely on differentiable programming methods and on the specification of a software pipeline including all factors impacting performance — from the data-generating processes to their reconstruction and the inference on the parameters of interest — along with the careful specification of a utility function well aligned with the end goals of the experiment. Building on previous studies originated within the MODE Collaboration, we focus specifically on applications involving instruments for particle physics experimentation, as well as industrial and medical applications that share the detection of radiation as their data-generating mechanism. This report illustrates the most recent advancements in the area, and outlines, for each of the discussed applications as well as for automatic differentiation itself, ongoing and future work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Land use for bioenergy: Synergies and trade-offs between sustainable development goals

Bioenergy aims to reduce greenhouse gas (GHG) emissions and contribute to meeting global climate change mitigation targets. Nevertheless, several sustainability concerns are associated with bioenergy, especially related to the impacts of using land for dedicated energy crop production. Cultivating energy crops can result in synergies or trade-offs between GHG emission reductions and other sustainability effects depending on context-specific conditions. Using the United Nations Sustainable Development Goals (SDGs) framework, the main synergies and trade-offs associated with land use for dedicated energy crop production were identified. Furthermore, the context-specific conditions (i.e., biomass feedstock, previous land use, climate, soil type and agricultural management) which affect those synergies and trade-offs were also identified. The most recent literature was reviewed and a pairwise comparison between GHG emission reduction (SDG 13) and other SDGs was carried out. A total of 427 observations were classified as either synergy (170), trade-off (176), or no effect (81). Most synergies with environmentally-related SDGs, such as water quality and biodiversity conservation, were observed when perennial crops were produced on arable land, pasture or marginal land in the ‘cool temperate moist’ climate zone and ‘high activity clay’ soils. Most trade-offs were related to food security and water availability. Previous land use and feedstock type are more impactful in determining synergies and trade-offs than climatic zone and soil type. This study highlights the importance of considering context-specific conditions in evaluating synergies and trade-offs and their relevance for developing appropriate policies and practices to meet worldwide demand for bioenergy in a sustainable manner.

09 BIOMASS FUELS↗

Inorganic characterization of switchgrass biomass using laser-induced breakdown spectroscopy

The inorganic characterization of 74 samples of switchgrass using laser-induced breakdown spectroscopy (LIBS) was undertaken. Determination of ash and inorganic elements content in biomass materials is vital for feedstock screening for bioconversion processes. Hierarchical models using principal component analysis (PCA) and partial least square analysis (PLS) were used to determine the presence of specific elemental micronutrients that are important in determining plant health for robust biomass production. LIBS uses a 532 nm laser with 45 mJ of laser power to excite the samples of switchgrass plant material and the emission of all the elements present in the plant samples were recorded in single spectra with a wide wavelength range of 200–800 nm. The results were compared to the laboratory standard technique, e.g., ICP-OES technique, to determine the true values for major micronutrients such as, silicon (Si), potassium (K), calcium (Ca), magnesium (Mg), phosphorus (P), and sulfur (S). Overall, our objectives were: 1) To determine the spectral features of switchgrass containing different amounts of these elements and 2) To examine the viability of this technique for determining the quality of the feedstock in terms of its inorganic composition. Cross-validation results showed that the broad-based model developed is promising for inorganics prediction in switchgrass. The LIBS validation prediction for the micronutrient elements mentioned here have been obtained. The regression coefficients for Si, were obtained to be 0.995, 0.994 for calibration and validation respectively, in case of Ca the regression coefficients were, 0.994 and 0.992 for calibration and validation. Similarly, in the case of Mg and K these were calculated to be 0.992 and 0.985, and 0.994 and 0.993 respectively. The regression coefficients are not as good as those for the elements mentioned, in case of the two elements S and P. They are 0.957, and 0.878, and 0.952 and 0.894 respectively for calibration, validation for the two elements. This demonstrates that LIBS-based techniques are inherently well suited for diverse environmental applications. Furthermore, LIBS along with PLS model can show capability in determining the viability of switchgrass as a biomass in the production of biofuels and survivability of switchgrass in processes associated with climate change. LIBS can help determining which switchgrass would be appropriate for a specific conversion process that favors low ash content overall or low value of specific inorganics.

59 BASIC BIOLOGICAL SCIENCES↗

Uncovering the dominant role of root metabolism in shaping rhizosphere metabolome under drought in tropical rainforest plants

Plant-soil-microbe interactions are crucial for driving rhizosphere processes that contribute to metabolite turnover and nutrient cycling. With the increasing frequency and severity of water scarcity due to climate warming, understanding how plant-mediated processes, such as root exudation, influence soil organic matter turnover in the rhizosphere is essential. In this study, we used 16S rRNA gene amplicon sequencing, rhizosphere metabolomics, and position-specific 13 C-pyruvate labeling to examine the effects of three different plant species (Piper auritum, Hibiscus rosa sinensis, and Clitoria fairchildiana) and their associated microbial communities on soil organic carbon turnover in the rhizosphere. Here, our findings indicate that in these tropical plants, the rhizosphere metabolome is primarily shaped by the response of roots to drought rather than direct shifts in the rhizosphere bacterial community composition. Specifically, the reduced exudation of plant roots had a notable effect on the metabolome of the rhizosphere of P. auritum, with less reliance on neighboring microbes. Contrary to P. auritum, H. rosa sinensis and C. fairchildiana experienced changes in their exudate composition during drought, causing alterations to the bacterial communities in the rhizosphere. This, in turn, had a collective impact on the rhizosphere's metabolome. Furthermore, the exclusion of phylogenetically distant microbes from the rhizosphere led to shifts in its metabolome. Additionally, C. fairchildiana appeared to be associated with only a subset of symbiotic bacteria under drought conditions. These results indicate that plant species-specific microbial interactions systematically change with the root metabolome. As roots respond to drought, their associated microbial communities adapt, potentially reinforcing the drought tolerance strategies of plant roots. These findings have significant implications for maintaining plant health and preference during drought stress and improving plant performance under climate change.

54 ENVIRONMENTAL SCIENCES↗

A regional comparison of sub-daily flow variability in regulated and unregulated rivers in the United States

Regulating rivers for hydropower or other purposes can dramatically alter river flow patterns, including creating substantial changes in flow over short, minutes-to-hours-long timespans known as sub-daily flow variability (SDFV). The impacts of flexible hydropower production on flow and aquatic organisms are increasingly documented in research. However, the degree to which flow alteration relates to different hydropower operational modes in distinct geographical regions and seasons is not well understood. This study offers a methodology for regional- and species-appropriate evaluations of potential impacts of flow on fish based on sub-daily flow characteristics of hydropower operational modes. We analyzed 15-min discharge data between 2018 and 2021 from 69 USGS stream gages to compare SDFV in hydropeaking, run-of-river, and unregulated systems in the US Southeast and Pacific Northwest. Regulated systems exhibited significant SDFV downstream from hydropower facilities relative to unregulated systems, but specific impacts differed between regions. Regulated systems in the Southeast were characterized by high flow coefficients of variation and ratios (hydropeaking only) and extended durations of daily upramping flow phases. Regulated systems in the Pacific Northwest were characterized by many short flow phases per day and large portions of the day spent upramping. Pacific Northwest unregulated systems displayed the strongest seasonal flow patterns while Southeastern hydropeaking systems displayed the greatest SDFV. Given that SDFV impacts multiple dimensions of fish ecology, region-specific sub-daily flow signatures have important implications for understanding and mitigating potential community-, species-, and age-specific effects on fish in different parts of the country.

Fish↗

Competition within low-density bacterial populations as an unexpected factor regulating carbon decomposition in bulk soil

Bacterial decomposition of organic matter in soils is generally believed to be mainly controlled by the access bacteria have to organic substrate. The influence of bacterial traits on this control has, however, received little attention. Using the substrate-dependent Monod growth model, we develop a bioreactive transport model to screen the interactive impacts of spatial dispersion and bacterial traits on mineralization. Bacterial traits primarily involved in the bacterial response to the substrate concentration, such as the maximum specific uptake rate and efficiency, the adaptation time of the uptake rate and the initial population density, are considered. We compare the model results with two sets of previously performed cm-scale soil-core experiments in which the mineralization of the pesticide 2,4-D was measured under well-controlled initial distributions and transport conditions. Bacterial dispersion away from the initial substrate location induced a significant increase in 2,4-D mineralization. Additionally, it reveals an increase of specific uptake rates at lower bacterial densities, more than compensating the decrease of specific uptake rates caused by substrate dilution. This regulation of bacterial activities by density, caused by the local depletion of substrate by competing bacteria, becomes dominant for bacteria with an efficient uptake of substrate at low substrate concentrations (a common feature of oligotrophs). Such oligotrophs, commonly found in soils, compete with each other for substrate even at remarkably low population densities. The ratio-dependent Contois growth model, which includes a density regulation in the expression of the uptake efficiency, is more accurate and convenient to calibrate than the substrate-dependent Monod model, at least under these conditions. In view of their strong interactions, bioreactive and transport processes cannot be handled independently but should be integrated, in particular when reactive processes of interest are carried out by oligotrophs.

59 BASIC BIOLOGICAL SCIENCES↗

Time domain probabilistic seismic risk analysis using ground motion prediction equations of Fourier amplitude spectra

Modeling of Fourier amplitude spectra (FAS) of seismic motions has gained much attention in engineering seismology. In the past few years, several ground motion prediction equations (GMPEs) and inter-frequency correlation structure of FAS have been established. Due to many preferable characteristics of FAS, probabilistic seismic hazard/risk analysis is rapidly changing from ergodic, spectrum acceleration Sa(T 0 )-based approach to non-ergodic, site-specific, FAS-based approach. This paper presents time domain intrusive framework for probabilistic seismic risk analysis using GMPE of FAS. Herein, methodology for time domain stochastic ground motion modeling based on GMPEs of FAS is presented in some detail. The simulated uncertain motions are modeled as a random process and represented by polynomial chaos Karhunen-Loève expansion. The random process excitations are further propagated into the uncertain structural system using Galerkin stochastic finite element method (SFEM). Probabilistic evolution of structural response is solved, and such solution is used to develop seismic risk for any damage state. The presented framework is illustrated through seismic risk analysis of a four-story building subjected to possible earthquakes from two strike slip faults. The influences of the epistemic uncertainties in source stress drop Δσ and site attenuation κ0 on seismic risk are investigated. The need for non-ergodic seismic risk analysis with source-specific and site specific characterizations is emphasized.

58 GEOSCIENCES↗