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Age over sex: evaluating gut microbiota differences in healthy Chinese populations

Age and gender have been recognized as two pivotal covariates affecting the composition of the gut microbiota. However, their mediated variations in microbiota seem to be inconsistent across different countries and races. In this study, 613 individuals, whom we referred to as the “healthy” population, were selected from 1,018 volunteers through rigorous selection using 16S rRNA sequencing. Three enterotypes were identified, namely, Escherichia–Shigella , mixture ( Bacteroides and Faecalibacterium ), and Prevotella . Moreover, 11 covariates that explain the differences in microbiota were determined, with age being the predominant factor. Furthermore, age-related differences in alpha diversity, beta diversity, and core genera were observed in our cohort. Remarkably, after adjusting for 10 covariates other than age, abundant genera that differed between age groups were demonstrated. In contrast, minimal differences in alpha diversity, beta diversity, and differentially abundant genera were observed between male and female individuals. Furthermore, we also demonstrated the age trajectories of several well-known beneficial genera, lipopolysaccharide (LPS)-producing genera, and short-chain fatty acids (SCFAs)-producing genera. Overall, our study further elucidated the effects mediated by age and gender on microbiota differences, which are of significant importance for a comprehensive understanding of the gut microbiome spectrum in healthy individuals.

Wu, Jiacheng↗

Lunary Dust Grain Charging by Electron Impact: Complex Role of Secondary Electron Emissions in Space Environments

Dust grains in various astrophysical environments are generally charged electrostatically by photoelectric emissions with radiation from nearby sources, or by electron/ion collisions by sticking or secondary electron emissions (SEES). The high vacuum environment on the lunar surface leads to some unusual physical and dynamical phenomena involving dust grains with high adhesive characteristics, and levitation and transportation over long distances. Knowledge of the dust grain charges and equilibrium potentials is important for understanding a variety of physical and dynamical processes in the interstellar medium, and heliospheric, interplanetary/ planetary, and lunar environments. It has been well recognized that the charging properties of individual micron-/submicron-size dust grains are expected to be substantially different from the corresponding values for bulk materials. In this paper, we present experimental results on the charging of individual 0.2-13 m size dust grains selected from Apollo 11 and 17 dust samples, and spherical silica particles by exposing them to mono-energetic electron beams in the 10-200 eV energy range. The dust charging process by electron impact involving the SEES discussed is found to be a complex charging phenomenon with strong particle size dependence. The measurements indicate substantial differences between the polarity and magnitude of the dust charging rates of individual small-size dust grains, and the measurements and model properties of corresponding bulk materials. A more comprehensive plan of measurements of the charging properties of individual dust grains for developing a database for realistic models of dust charging in astrophysical and lunar environments is in progress.

Abbas, M. M.↗

Interaction of amphiphilic lipoarabinomannan with host carrier lipoproteins in tuberculosis patients: Implications for blood-based diagnostics

Lipoarabinomannan (LAM), an amphiphilic lipoglycan of the Mycobacterium tuberculosis cell wall, is a diagnostic target for tuberculosis. Previous work from our laboratory and others suggests that LAM is associated with host serum lipoproteins, which may in turn have implications for diagnostic assays. Our team has developed two serum assays for amphiphile detection: lipoprotein capture and membrane insertion. The lipoprotein capture assay relies on capture of the host lipoproteins, exploiting the biological association of host lipoprotein with microbial amphiphilic biomarkers to “concentrate” LAM. In contrast, the membrane insertion assay is independent of the association between pathogen amphiphiles and host lipoprotein association, and directly captures LAM based on its thermodynamic propensity for association with a supported lipid membrane, which forms the functional surface of an optical biosensor. In this manuscript, we explored the use of these assays for the detection of LAM in sera from adults whose tuberculosis status had been well-characterized using conventional microbiological tests, and endemic controls. Using the lipoprotein capture assay, LAM signal/noise ratios were >1.0 in 29/35 (83%) individuals with culture-confirmed active tuberculosis, 8/13 (62%) individuals with tuberculosis symptoms, but no positive culture for M . tuberculosis , and 0/6 (0%) symptom-free endemic controls. To evaluate serum LAM levels without bias associated with potential differences in circulating host lipoprotein concentrations between individuals, we subsequently processed available samples to liberate LAM from associated host lipoprotein assemblies followed by direct detection of the pathogen biomarker using the membrane insertion approach. Using the membrane insertion assay, signal/noise for detection of serum LAM was greater than that observed using the lipoprotein capture method for culture-confirmed TB patients (6/6), yet remained negative for controls (2/2). Taken together, these results suggest that detection of serum LAM is a promising TB diagnostic approach, but that further work is required to optimize assay performance and to decipher the implications of LAM/host lipoprotein associations for diagnostic assay performance and TB pathogenesis.

59 BASIC BIOLOGICAL SCIENCES↗

Broadband Lidar Technique for Precision CO2 Measurement

Presented are preliminary experimental results, sensitivity measurements and discuss our new CO2 lidar system under development. The system is employing an erbium-doped fiber amplifier (EDFA), superluminescent light emitting diode (SLED) as a source and our previously developed Fabry-Perot interferometer subsystem as a detector part. Global measurement of carbon dioxide column with the aim of discovering and quantifying unknown sources and sinks has been a high priority for the last decade. The goal of Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) mission is to significantly enhance the understanding of the role of CO2 in the global carbon cycle. The National Academy of Sciences recommended in its decadal survey that NASA put in orbit a CO2 lidar to satisfy this long standing need. Existing passive sensors suffer from two shortcomings. Their measurement precision can be compromised by the path length uncertainties arising from scattering within the atmosphere. Also passive sensors using sunlight cannot observe the column at night. Both of these difficulties can be ameliorated by lidar techniques. Lidar systems present their own set of problems however. Temperature changes in the atmosphere alter the cross section for individual CO2 absorption features while the different atmospheric pressures encountered passing through the atmosphere broaden the absorption lines. Currently proposed lidars require multiple lasers operating at multiple wavelengths simultaneously in order to untangle these effects. The current goal is to develop an ultra precise, inexpensive new lidar system for precise column measurements of CO2 changes in the lower atmosphere that uses a Fabry-Perot interferometer based system as the detector portion of the instrument and replaces the narrow band laser commonly used in lidars with the newly available high power SLED as the source. This approach reduces the number of individual lasers used in the system from three or more to one - considerably reducing the risk of failure. It also tremendously reduces the requirement for wavelength stability in the source putting this responsibility instead on the Fabry-Perot subsystem.

Heaps, William S.↗

Static actuator-sharing algorithm for concurrent control of multiple plasma properties

Simultaneous regulation of multiple properties in next-generation tokamaks like ITER and fusion pilot plant may require the integration of different plasma control algorithms. Such integration requires the conversion of individual controller commands into physical actuator requests while accounting for the coupling between different plasma properties. This work proposes a tokamak and scenario-agnostic actuator-sharing algorithm (ASA) to perform the above-mentioned command-request conversion and, hence, integrate multiple plasma controllers. The proposed algorithm implicitly solves a quadratic programming (QP) problem formulated to account for the saturation limits and the relation between the controller commands and physical actuator requests. Since the constraints arising in the QP program are linear, the proposed ASA is highly computationally efficient and can be implemented in the tokamak plasma control system in real time. Furthermore, the proposed algorithm is designed to handle real-time changes in the control objectives and actuators’ availability. Nonlinear simulations carried out using the Control Oriented Transport SIMulator illustrate the effectiveness of the proposed algorithm in achieving multiple control objectives simultaneously.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Charging of Individual Micron-Size Interstellar/Planetary Dust Grains by Secondary Electron Emissions

Dust grains in various astrophysical environments are generally charged electrostatically by photoelectric emissions with UV/X-ray radiation, as well as by electron/ion impact. Knowledge of physical and optical properties of individual dust grains is required for understanding of the physical and dynamical processes in space environments and the role of dust in formation of stellar and planetary systems. In this paper, we discuss experimental results on dust charging by electron impact, where low energy electrons are scattered or stick to the dust grains, thereby charging the dust grains negatively, and at sufficiently high energies the incident electrons penetrate the grain leading to excitation and emission of electrons referred to as secondary electron emission (SEE). Currently, very limited experimental data are available for charging of individual micron-size dust grains, particularly by low energy electron impact. Available theoretical models based on the Sternglass equation (Sternglass, 1954) are applicable for neutral, planar, and bulk surfaces only. However, charging properties of individual micron-size dust grains are expected to be different from the values measured on bulk materials. Our recent experimental results on individual, positively charged, micron-size lunar dust grains levitated in an electrodynamic balance facility (at NASA-MSFC) indicate that the SEE by electron impact is a complex process. The electron impact may lead to charging or discharging of dust grains depending upon the grain size, surface potential, electron energy, electron flux, grain composition, and configuration (e.g. Abbas et al, 2010). Here we discuss the complex nature of SEE charging properties of individual micron-size lunar dust grains and silica microspheres.

Tankosic, D.↗

Kepler Planet Detection Metrics: Per-Target Flux-Level Transit Injection Tests of TPS for Data Release 25

Quantifying the ability of a transiting planet survey to recover transit signals has commonly been accomplished through Monte-Carlo injection of transit signals into the observed data and subsequent running of the signal search algorithm (Gilliland et al., 2000; Weldrake et al., 2005; Burke et al., 2006). In order to characterize the performance of the Kepler pipeline (Twicken et al., 2016; Jenkins et al., 2017) on a sample of over 200,000 stars, two complementary injection and recovery tests are utilized:1. Injection of a single transit signal per target into the image or pixel-level data, hereafter referred to as pixel-level transit injection (PLTI), with subsequent processing through the Photometric Analysis (PA), Presearch Data Conditioning (PDC), Transiting Planet Search (TPS), and Data Validation (DV) modules of the Kepler pipeline. The PLTI quantification of the Kepler pipeline's completeness has been described previously by Christiansen et al. (2015, 2016); the completeness of the final SOC 9.3 Kepler pipeline acting on the Data Release 25 (DR25) light curves is described by Christiansen (2017).2. Injection of multiple transit signals per target into the normalized flux time series data with a subsequent transit search using a stream-lined version of the Transiting Planet Search (TPS) module. This test, hereafter referred to as flux-level transit injection (FLTI), is the subject of this document. By running a heavily modified version of TPS, FLTI is able to perform many injections on selected targets and determine in some detail which injected signals are recoverable. Significant numerical efficiency gains are enabled by precomputing the data conditioning steps at the onset of TPS and limiting the search parameter space (i.e., orbital period, transit duration, and ephemeris zero-point) to a small region around each injected transit signal.The PLTI test has the advantage that it follows transit signals through all processing steps of the Kepler pipeline, and the recovered signals can be further classified as planet candidates or false positives in the exact same manner as detections from the nominal (i.e., observed) pipeline run (Twicken et al., 2016, Thompson et al., in preparation). To date, the PLTI test has been the standard means of measuring pipeline completeness averaged over large samples of targets (Christiansen et al., 2015, 2016; Christiansen, 2017). However, since the PLTI test uses only one injection per target, it does not elucidate individual-target variations in pipeline completeness due to differences in stellar properties or astrophysical variability. Thus, we developed the FLTI test to provide a numerically efficient way to fully map individual targets and explore the performance of the pipeline in greater detail. The FLTI tests thereby allow a thorough validation of the pipeline completeness models (such as window function (Burke and Catanzarite, 2017a), detection efficiency (Burke Catanzarite, 2017b), etc.) across the spectrum of Kepler targets (i.e., various astrophysical phenomena and differences in instrumental noise). Tests during development of the FLTI capability revealed that there are significant target-to-target variations in the detection efficiency.

DR25↗

The Atomic Structure of Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes is Responsible for Their Antibacterial Activity Toward E. coli Bacteria

The expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} MXene phases were synthesized from their parent Ti{sub 2}AlC and Ti{sub 3}AlC{sub 2} MAX phases using the same conditions of the classical acidic aluminum extraction method. The assumption for the study was that the expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes are composed of the same atoms and if are synthesized from MAX phases using the same conditions of the classical acidic aluminum extraction method, the observed bio-effects can be related only to the changes in their structures. The scanning electron microscope investigations indicated that the expanded Ti{sub 2}C and Ti{sub 3}C{sub 2} sheets formed the specific network of slit-shaped nano-pores. The x-ray photoelectron spectroscopy for chemical analysis (ESCA-XPS) showed almost no difference in surface chemistry of Ti{sub 2}C and Ti{sub 3}C{sub 2} MXenes. The high-resolution transmission electron microscope investigations revealed, however, differences in atomic structure of the individual Ti{sub 2}C and Ti{sub 3}C{sub 2} sheets. Measured distance between Ti-C atomic layers in Ti{sub 2}C was 9.76 Å and was larger by 0.53 Å in comparison with Ti{sub 3}C{sub 2} (9.23 Å). Our investigations of bioactive properties toward model gram-negative Escherichia coli bacterial strain showed that the Ti{sub 2}C MXene did not influence the viability of bacteria. Contrarily, the Ti{sub 3}C{sub 2} MXene showed antibacterial properties. The results of the study indicate that the structure at the atomic scale may play a key role in the bioactivity of MXenes of the same chemical composition, but different stoichiometry, just like in case of Ti{sub 2}C and Ti{sub 3}C{sub 2}.

36 MATERIALS SCIENCE↗

Ground-Active Arthropod Diversity Under Energycane and Biomass Sorghum Production

Energycane and biomass sorghum are two of the most promising cellulosic energy crops in the southeastern US. Research on these two energy crops has focused mainly on biomass production, and there is a lack of knowledge on their ability to promote biodiversity and ecosystem services. This paper presents results from a comprehensive study on ground-active arthropod diversity in seven sites across five states in the southeastern US (Florida, Georgia, Louisiana, Mississippi, and Texas). Pitfall traps were deployed four times during each crop season for energycane, biomass sorghum, and a local reference conventional crop from 2020 to 2022. Arthropod abundance (individuals/(trap × day)) values were 4.9 ± 0.46, 3.7 ± 0.18, and 2.6 ± 0.16 (mean ± stderr) for conventional crops, biomass sorghum, and energycane, respectively, with a significant difference found only between conventional crops and energycane. Individuals were identified to arthropod orders, and Hill’s diversity indices were calculated based on the number of individuals in each arthropod order instead of the number of individuals in each arthropod species. Order-based arthropod richness values were 5.3, 5.2, and 4.8 for biomass sorghum, conventional crops, and energycane, with significant difference found only between biomass sorghum and energycane. There was no significant difference in the order-based Shannon diversity and Simpson diversity between the three crop types. The effective number of arthropod orders for the two energy crops decreased from 5.0 to 3.4 to 2.9 with increasing order of diversity from arthropod richness to Shannon diversity to Simpson diversity. The explained variability by environmental factors also decreased with increasing Hill’s order of diversity. The results from this study indicate no significant advantage in order-based arthropod diversity in growing biomass sorghum and energycane. This research fills a critical knowledge gap in understanding the impacts of cellulosic energy crop production on biodiversity and ecosystem services.

Yang, Yubin↗

Seawifs Technical Report Series. Volume 2: Analysis of Orbit Selection for Seawifs: Ascending Versus Descending Node

Due to range safety considerations, the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) ocean color instrument may be required to be launched into a near-noon descending node, as opposed to the ascending node used by the predecessor sensor, the Coastal Zone Color Scanner (CZCS). The relative importance of ascending versus descending near-noon orbits was assessed here to determine if descending node will meet the scientific requirements of SeaWiFS. Analyses focused on ground coverage, local times of coverage, solar and viewing geometries (zenith and azimuth angles), and sun glint. Differences were found in the areas covered by individual orbits, but were not important when taken over a 16 day repeat time. Local time of coverage was also different: for ascending node orbits the Northern Hemisphere was observed in the morning and the Southern Hemisphere in the afternoon, while for descending node orbits the Northern Hemisphere was observed in the afternoon and the Southern in the morning. There were substantial differences in solar azimuth and spacecraft azimuth angles both at equinox and at the Northern Hemisphere summer solstice. Negligible differences in solar and spacecraft zenith angles, relative azimuth angles, and sun glint were obtained at the equinox. However, large differences were found in solar zenith angles, relative azimuths, and sun glint for the solstice. These differences appeared to compensate across the scan, however, an increase in sun glint in descending node over that in ascending node on the western part of the scan was compensated by a decrease on the eastern part of the scan. Thus, no advantage or disadvantage could be conferred upon either ascending node or descending node for noon orbits. Analyses were also performed for ascending and descending node orbits that deviated from a noon equator crossing time. For ascending node, afternoon orbits produced the lowest mean solar zenith angles in the Northern Hemisphere, and morning orbits produced the lowest angles for the Southern Hemisphere. For descending node, morning orbits produced the lowest mean solar zenith angles for the Northern Hemisphere; afternoon orbits produced the lowest angles for the Southern Hemisphere.

Hooker, Stanford B.↗

SU-E-T-659: Quantitative Evaluation of Patient Setup Accuracy of Stereotactic Radiotherapy with the Frameless 6D-ExacTrac System Using Statistical Modeling

Purpose: To evaluate patient setup accuracy and quantify individual and cumulative positioning uncertainties associated with different hardware and software components of the stereotactic radiotherapy (SRS/SRT) with the frameless-6D-ExacTrac system. Methods: A statistical model was used to evaluate positioning uncertainties of the different components of SRS/SRT treatment with the BrainLAB 6D-ExacTrac system using the positioning shifts of 35 patients having cranial lesions (49 total lesions treated in 1, 3, 5 fractions). All these patients were immobilized with rigid head-and-neck masks, simulated with BrainLAB-localizer and planned with iPlan treatment planning system. Infrared imaging (IR) was used initially to setup patients. Then, stereoscopic x-ray images (XC) were acquired and registered to corresponding digitally-reconstructed-radiographs using bony-anatomy matching to calculate 6D-translational and rotational shifts. When the shifts were within tolerance (0.7mm and 1°), treatment was initiated. Otherwise corrections were applied and additional x-rays were acquired (XV) to verify that patient position was within tolerance. Results: The uncertainties from the mask, localizer, IR-frame, x-ray imaging, MV and kV isocentricity were quantified individually. Mask uncertainty (Translational: Lateral, Longitudinal, Vertical; Rotational: Pitch, Roll, Yaw) was the largest and varied with patients in the range (−1.05−1.50mm, −5.06–3.57mm, −5.51−3.49mm; −1.40−2.40°, −1.24−1.74°, and −2.43−1.90°) obtained from mean of XC shifts for each patient. Setup uncertainty in IR positioning (0.88,2.12,1.40mm, and 0.64,0.83,0.96°) was extracted from standard-deviation of XC. Systematic uncertainties of the localizer (−0.03,−0.01,0.03mm, and −0.03,0.00,−0.01°) and frame (0.18,0.25,−1.27mm,−0.32,0.18, and 0.47°) were extracted from means of all XV setups and mean of all XC distributions, respectively. Uncertainties in isocentricity of the MV radiotherapy machine were (0.27,0.24,0.34mm) and kV-imager (0.15,−0.4,0.21mm). Conclusion: A statistical model was developed to evaluate the individual and cumulative systematic and random uncertainties induced by the different hardware and software components of the 6D-ExacTrac-system. The immobilization mask was associated with the largest positioning uncertainty.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Potential human exposure to halogenated flame-retardants in elevated surface dust and floor dust in an academic environment

Most households and workplaces all over the world possess furnishings and electronics, all of which contain potentially toxic flame retardant chemicals to prevent fire hazards. Indoor dust is a recognized repository of these types of chemicals including polybrominated diphenyl ethers (PBDEs) and non-polybrominated diphenyl ethers (non-PBDEs). However, no previous U.S. studies have differentiated concentrations from elevated surface dust (ESD) and floor dust (FD) within and across microenvironments. We address this information gap by measuring twenty-two flame-retardant chemicals in dust on elevated surfaces (ESD; n=10) and floors (FD; n=10) from rooms on a California campus that contain various concentrations of electronic products. We hypothesized a difference in chemical concentrations in ESD and FD. Secondarily, we examined whether or not this difference persisted: (a) across the studied microenvironments and (b) in rooms with various concentrations of electronics. A Wilcoxon signed-rank test demonstrated that the ESD was statistically significantly higher than FD for BDE-47 (p=0.01), BDE-99 (p=0.01), BDE-100 (p=0.01), BDE-153 (p=0.02), BDE-154 (p=0.02), and 3 non-PBDEs including EH-TBB (p=0.02), BEH-TEBP (p=0.05), and TDCIPP (p=0.03). These results suggest different levels and kinds of exposures to flame-retardant chemicals for individuals spending time in the sampled locations depending on the position of accumulated dust. Therefore, further research is needed to estimate human exposure to flame retardant chemicals based on how much time and where in the room individuals spend their time. Such sub-location estimates will likely differ from assessments that assume continuous unidimensional exposure, with implications for improved understanding of potential health impacts of flame retardant chemicals. - Highlights: • Brominated flame retardants used in electronic products accumulate in room dust • Various chemical moieties of flame retardants leach differently into room dust • Flame retardant concentrations in dust differ in elevated surfaces compared to floors.

54 ENVIRONMENTAL SCIENCES↗

Report on Developing a US-China Joint Project on CO2-Based Fracturing Techniques

There are several types of hydraulic fracturing methods that have been investigated in the past decades that use little or no water. The criteria for selecting an optimal hydraulic fracturing fluids are many, and no single fluid can meet all the desired characteristics. Developing a set of technologies by using different fracturing fluids can better meet individual geologic, economic, and environmental needs. CO2 as an alternative of water for hydraulic fracturing has its unique place among all other fracturing fluids, and can meet both economic and environmental objectives under certain circumstances. There are three main categories of CO2-based fracturing fluids, simple liquid CO2 (LCO2), directly thickened LCO2, and CO2-foams/emulsions. Although LCO2 has many advantages, critical disadvantages arise due to its high operating pressure, low viscosity, poor proppant-carrying capacity, and generation of shallower fracture networks. To date, techniques for direct thickening of LCO2 to overcome these limitations have proven ineffective. To increase the apparent viscosity of CO2, we propose to further develop CO2-foam (and emulsion) fracturing techniques. While CO2-foams have long been used in EOR, the required properties for hydraulic fracturing are different, and relatively few peer-reviewed publications and field test reports are available regarding their applications in fracturing, and the surfactants and additives used are often proprietary This report describes a brief state-of-the-art analysis of CO2-based hydraulic fracturing methods and then discusses a joint plan for a long-term R&D collaboration to advance the most promising CO2-based hydraulic fracturing techniques as part of the U.S.-China Clean Energy Research Center, Water Energy Technology (CERC-WET). The objective of this U.S.-China joint research project is to design and laboratory test a CO2-foam fracturing fluid system, and then conduct pilot field-tests on them in China’s Jilin Oilfield. This joint research project will benefit both U.S. and China for advancing their shared goal of developing better technologies for CO2-based fracturing. The Chinese CERC-WET has two teams joining the project, one from RIPED, responsible for aboveground infrastructure design and construction. Another team from the Jilin Oilfield will be responsible for the field test design and conducting the test. The U.S.CERC-WET team at LBNL will be responsible for providing the CO2-foam formulations and their rheology parameters to be tested in the field (a challenging task and a key to success); participating in the equipment design and field test design; assisting in analyzing field data; and reporting to U.S. DOE and CERC-WET.

58 GEOSCIENCES↗

Fluctuating hydrodynamics of electrolytes at electroneutral scales

At mesoscopic scales electrolyte solutions are modeled by the fluctuating generalized Poisson-Nernst-Planck (PNP) equations. However, at length and time scales larger than the Debye scales, electrolytes are effectively electroneutral, and the charged-fluid PNP equations become too stiff to solve numerically. Here we formulate the isothermal incompressible equations of fluctuating hydrodynamics for reactive multispecies mixtures involving charged species in the electroneutral limit, and design a numerical algorithm to solve these equations. Our model does not assume a dilute electrolyte solution but rather treats all species on an equal footing, accounting for cross-diffusion and non-ideality using Maxwell-Stefan theory. By enforcing local electroneutrality as a constraint, we obtain an elliptic equation for the electric potential that replaces the Poisson equation in the fluctuating PNP equations. We develop a second-order midpoint predictor-corrector algorithm to solve either the charged-fluid or electroneutral equations with only a change of the elliptic solver. We use the electroneutral algorithm to study a gravitational fingering instability, triggered by thermal fluctuations, at an interface where an acid and base react to neutralize each other. Our results demonstrate that, because the four ions diffuse with very different coefficients, one must treat each ion as an individual species, and cannot treat the acid, base, and salt as neutral species. This emphasizes the differences between electrodiffusion and classical Fickian diffusion, even at electroneutral scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of Lost Circulation Material Sealing for Geothermal Drilling

Lost circulation is a pervasive problem in geothermal wells that can create prohibitive costs during drilling. The main issue with treatment is that the mechanism of plug formation is poorly understood. Here we applied two experimental approaches to characterize the clogging effectiveness of different materials. Fracture flow tests with different geometries were conducted with various individual materials and mixtures at relevant conditions. A high-temperature flow loop system was also developed to inject single- and mixed-material plugs into a gravel pack with a non-uniform geometry to compare with the fracture tests. The fracture tests revealed that single materials tended to form no plug or an unstable plug, while mixtures of materials were uniformly better at sealing fractures. Gravel pack tests at high temperatures show most of the materials are intact but degraded. The fibrous materials can create partial or unstable plugs in the gravel pack, but mixed-material plugs are far more effective at clogging. Both test types suggest that (1) mixed materials are more effective at blocking fluid flow and (2) fibrous materials seal fracture openings better, while granular materials seal inside fractures or pore throats better. Further research is needed to study the long-term stability of different plug configurations.

clogging tests↗

Perturbations of the optical properties of mineral dust particles by mixing with black carbon: a numerical simulation study

Field observations show that individual aerosol particles are a complex mixture of a wide variety of species, reflecting different sources and physico-chemical transformations. The impacts of individual aerosol morphology and mixing characteristics on the Earth system are not yet fully understood. Here we present a sensitivity study on climate-relevant aerosols optical properties to various approximations. Based on aerosol samples collected in various geographical locations, we have observationally constrained size, morphology and mixing, and accordingly simulated, using the discrete dipole approximation model (DDSCAT), optical properties of three aerosols types: (1) bare black carbon (BC) aggregates, (2) bare mineral dust, and (3) an internal mixture of a BC aggregate laying on top of a mineral dust particle, also referred to as polluted dust. DDSCAT predicts optical properties and their spectral dependence consistently with observations for all the studied cases. Predicted values of mass absorption, scattering and extinction coefficients (MAC, MSC, MEC) for bare BC show a weak dependence on the BC aggregate size, while the asymmetry parameter ( g ) shows the opposite behavior. The simulated optical properties of bare mineral dust present a large variability depending on the modeled dust shape, confirming the limited range of applicability of spheroids over different types and size of mineral dust aerosols, in agreement with previous modeling studies. The polluted dust cases show a strong decrease in MAC values with the increase in dust particle size (for the same BC size) and an increase of the single scattering albedo (SSA). Furthermore, particles with a radius between 180 and 300 nm are characterized by a decrease in SSA values compared to bare dust, in agreement with field observations.This paper demonstrates that observationally constrained DDSCAT simulations allow one to better understand the variability of the measured aerosol optical properties in ambient air and to define benchmark biases due to different approximations in aerosol parametrization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Drivers of Seasonal Variability in Marine Boundary Layer Aerosol Number Concentration Investigated Using a Steady State Approach

Marine boundary layer (MBL) aerosol particles affect the climate through their interaction with MBL clouds. Although both MBL clouds and aerosol particles have pronounced seasonal cycles, the factors controlling seasonal variability of MBL aerosol particle concentration are not well-constrained. In this paper an aerosol budget is constructed representing the effects of wet deposition, free-tropospheric entrainment, primary surface sources, and advection on the MBL accumulation mode aerosol number concentration (N a ). These terms are further parameterized, and by assuming that on seasonal timescales N a is in steady state, the budget equation is rearranged to form a diagnostic equation for N a based on observable variables. Using data primarily collected in the subtropical northeast Pacific during the MAGIC campaign (Marine ARM (Atmospheric Radiation Measurement) GPCI (GCSS Pacific Cross-section Intercomparison) Investigation of Clouds), estimates of both mean summer and winter N a concentrations are made using the simplified steady-state model and seasonal mean observed variables, and are found to match well with the observed N a . To attribute the modeled difference between summer and winter aerosol concentrations to individual observed variables (e.g. precipitation rate, free-tropospheric aerosol number concentration), a local sensitivity analysis is combined with the seasonal difference in observed variables. This analysis shows that despite wintertime precipitation frequency being lower than summer, the higher winter precipitation rate accounted for approximately 60% of the modeled seasonal difference in N a , which emphasizes the importance of marine stratocumulus precipitation in determining MBL aerosol concentrations on longer time scales.

54 ENVIRONMENTAL SCIENCES↗

Atomistic modeling of crystal structure of Ca{sub 1.67}SiH{sub x}

The atomic structure of calcium-silicate-hydrate (C{sub 1.67}-S-H{sub x}) has been investigated by theoretical methods in order to establish a better insight into its structure. Three models for C-S-H all derived from tobermorite are proposed and a large number of structures were created within each model by making a random distribution of silica oligomers of different size within each structure. These structures were subjected to structural relaxation by geometry optimization and molecular dynamics steps. That resulted in a set of energies within each model. Despite an energy distribution between individual structures within each model, significant energy differences are observed between the three models. The C-S-H model related to the lowest energy is considered as the most probable. It turns out to be characterized by the distribution of dimeric and pentameric silicates and the absence of monomers. This model has mass density which is closest to the experimental one.

36 MATERIALS SCIENCE↗