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Sample records for coarse pm1-10 particles

  1. Distribution of the solvent-extractable organic compounds in fine (PM1) and coarse (PM1-10) particles in urban, industrial and forest atmospheres of Northern Algeria.

    Ladji, Riad; Yassaa, Noureddine; Balducci, Catia; Cecinato, Angelo; Meklati, Brahim Youcef

    2009-12-20

    The distribution of the solvent-extractable organic components in the fine (PM(1)) and coarse (PM(1-10)) fractions of airborne particulate was studied for the first time in Algeria. That was done during October 2006 concurrently in a big industrial district, a busy urban area, and a forest national park located in Algiers, Boumerdes, Blida, respectively, which are the three biggest provinces of Northern Algeria. Most of the organic matter identified in both particle size ranges consisted of n-alkanes and n-alkanoic acids, with minor contributions coming from polycyclic aromatic hydrocarbons (PAHs), nitrated polycyclic aromatic hydrocarbons (NPAHs), oxygenated PAHs, and other polar compounds (e.g., caffeine and nicotine). The potential emission sources of airborne contaminants were reconciled by combining the values of n-alkane carbon preference index (CPI) and selected diagnostic ratios of PAHs, calculated in both size ranges. The mean cumulative concentrations of PAHs reached 3.032 ng m(-3) at the Boumerdes site, urban, 80% of which (i.e. 2.246 ng m(-3)) in the PM(1) fraction, 6.462 ng m(-3) at Rouiba-Réghaia, industrial district, (5.135 ng m(-3) or 80% in PM(1)), and 0.512 ng m(-3) at Chréa, forested mountains (0.370 ng m(-3) or 72% in PM(1)). Similar patterns were shown by all organic groups, which resulted overall enriched in the fine particles at the three sites. Carcinogenic and mutagenic potencies associated to PAHs were evaluated by multiplying the concentrations of "toxic" compounds times the corresponding potency factors normalized vs. benzo(a)pyrene (BaP), and were found to be both acceptable.

  2. Ionic composition of submicron particles (PM1.0) during the long-lasting haze period in January 2013 in Wuhan, central China.

    Cheng, Hairong; Gong, Wei; Wang, Zuwu; Zhang, Fan; Wang, Xinming; Lv, Xiaopu; Liu, Jia; Fu, Xiaoxin; Zhang, Gan

    2014-04-01

    In January 2013, a long-lasting severe haze episode occurred in Northern and Central China; at its maximum, it covered a land area of approximately 1.4 million km(2). In Wuhan, the largest city in Central China, this event was the most severe haze episode in the 21st century. Aerosol samples of submicron particles (PM1.0) were collected during the long-lasting haze episode at an urban site and a suburban site in Wuhan to investigate the ion characteristics of PM1.0 in this area. The mass concentrations of PM1.0 and its water-soluble inorganic ions (WSIIs) were almost at the same levels at two sites, which indicates that PM1.0 pollution occurs on a regional scale in Wuhan. WSIIs (Na(+), NH4(+), K(+), Mg(2+), Ca(2+), Cl(-), NO3(-) and SO4(2-)) were the dominant chemical species and constituted up to 48.4% and 47.4% of PM1.0 at WD and TH, respectively. The concentrations of PM1.0 and WSIIs on haze days were approximately two times higher than on normal days. The ion balance calculations indicate that the particles were more acidic on haze days than on normal days. The results of the back trajectory analysis imply that the high concentrations of PM1.0 and its water-soluble inorganic ions may be caused by stagnant weather conditions in Wuhan. Copyright © 2014 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

  3. Morphology changes in human lung epithelial cells after exposure to diesel exhaust micron sub particles (PM1.0) and pollen allergens

    Esposito, V.; Lucariello, A.; Savarese, L.; Cinelli, M.P.; Ferraraccio, F.; Bianco, A.; De Luca, A.; Mazzarella, G.

    2012-01-01

    In the recent literature there has been an increased interest in the effects of particulate matter on the respiratory tract. The objective of this study was to use an in vitro model of type II lung epithelium (A549) to evaluate the cell ability to take up sub-micron PM 1.0 particles (PM 1.0 ), Parietaria officinalis (ALL), and PM 1.0 + ALL together. Morphological analysis performed by Transmission Electron Microscope (TEM) showed that PM and ALL interacted with the cell surface, then penetrating into the cytoplasm. Each single treatment was able to point out a specific change in the morphology. The cells treated appear healthy and not apoptotic. The main effect was the increase of: multilamellar bodies, lysosomal enzymes, microvilli, and presence of vesicle/vacuoles containing particles. These observations demonstrate morphological and functional alterations related to the PM 1.0 and P. officinalis and confirm the induction of the inflammatory response in lung cells exposed to the inhalable particles. - Highlights: ► Cell ability to take up PM 1.0 particles, Parietaria officinalis (ALL), PM 1.0 + ALL. ► The cells treated appear healthy and not apoptotic. ► Each single treatment was able to point out a specific change in the morphology. ► Increase of multilamellar bodies lysosomal enzymes microvilli vesicle with particles. ► Induction of inflammatory response in lung cells exposed to the inhalable particles. - The urban environment with the combination of inhalable air pollution and particulate can damage the acinar lung units and activate cells of the immune system.

  4. Inflammatory effects on human lung epithelial cells after exposure to diesel exhaust micron sub particles (PM1.0) and pollen allergens

    Mazzarella, G.; Esposito, V.; Bianco, A.; Ferraraccio, F.; Prati, M.V.; Lucariello, A.; Manente, L.; Mezzogiorno, A.; De Luca, A.

    2012-01-01

    Asthma is currently defined as a chronic inflammatory disease of the airway. Several evidence indicate that vehicle emissions in cities is correlated with the allergic respiratory diseases. In the present study, we evaluated in the A549 cells the production and release of IL-4, IL-5 and IL-13 after treatment with sub-micron PM 1.0 particles (PM 1.0 ), Parietaria officinalis (ALL), and PM 1.0 + ALL together. Our data demonstrated that PM 1.0 + ALL together exhibited the greatest capacity to induce A549 cells to enhance the expression of IL-4 and IL-5 compared with the only PM 1.0 or ALL treatment. Interestingly, IL-13 that is necessary for allergen-induced airway hyper responsiveness, is increased in cells treated with PM 1.0 + ALL together, but is higher expressed when the cells are treated only with the allergen. Our data support the hypothesis that the urban environment damage the acinar lung units and activates cells of the immune system. - Highlights: ► The genetic factors plays a key role in the development of the asthma. ► Its development can only be made in the presence of specific environmental factors. ► We evaluated in the A549 cells the production and release of IL-4, IL-5 and IL-13. ► IL-4, IL-5 and IL-13 expression increased when the A549 cells are treated with PM 1.0 + ALL together. - The urban environment with the combination of inhalable air pollution and particulate are able to damage the acinar lung units and are able to activate cells of the immune system.

  5. Household air pollution and personal inhalation exposure to particles (TSP/PM2.5/PM1.0/PM0.25) in rural Shanxi, North China

    Huang, Ye; Du, Wei; Chen, Yuanchen; Shen, Guofeng; Su, Shu; Lin, Nan; Shen, Huizhong; Zhu, Dan; Yuan, Chenyi; Duan, Yonghong; Liu, Junfeng; Li, Bengang; Tao, Shu

    2017-01-01

    Personal exposure to size-segregated particles among rural residents in Shanxi, China in summer, 2011 were investigated using portable carried samplers (N = 84). Household air pollution was simultaneously studied using stationary samplers in nine homes. Information on household fuel types, cooking activity, smoking behavior, kitchen ventilation conditions etc., were also collected and discussed. The study found that even in the summer period, the daily average concentrations of PM 2.5 and PM 1.0 in the kitchen were as high as 376 ± 573 and 288 ± 397 μg/m 3 (N = 6), that were nearly 3 times of 114 ± 81 and 97 ± 77 μg/m 3 in the bedroom (N = 8), and significantly higher than those of 64 ± 28 and 47 ± 21 μg/m 3 in the outdoor air (N = 6). The personal daily exposure to PM 2.5 and PM 1.0 were 98 ± 52 and 77 ± 47 μg/m 3 , respectively, that were lower than the concentrations in the kitchen but higher than the outdoor levels. The mass fractions of PM 2.5 in TSP were 90%, 72%, 65% and 68% on average in the kitchen, bedroom, outdoor air and personal inhalation exposure, respectively, and moreover, a majority of particles in PM 2.5 had diameters less than 1.0 μm. Calculated time-weighted average exposure based on indoor and outdoor air concentrations and time spent indoor and outdoor were positively correlated but, was ∼33% lower than the directly measured exposure. The daily exposure among those burning traditional solid fuels could be lower by ∼41% if the kitchen was equipped with an outdoor chimney, but was still 8–14% higher than those household using cleaning energies, like electricity and gas. With a ventilator in the kitchen, the exposure among the population using clean energies could be further reduced by 10–24%. - Highlights: • High inhalation exposure of fine PM 2.5 and PM 1.0 among rural residents. • Smoking prevails on cooking in increasing exposure to finer particles. • PM exposure could be reduced by

  6. Exposure to submicron particles (PM1.0) from diesel exhaust and pollen allergens of human lung epithelial cells induces morphological changes of mitochondria tonifilaments and rough endoplasmic reticulum.

    Mazzarella, Gennaro; Lucariello, Angela; Bianco, Andrea; Calabrese, Cecilia; Thanassoulas, Theodoros; Savarese, Leonilde; Fiumarella, Angelamaria; Esposito, Vincenzo; DE Luca, Antonio

    2014-01-01

    In recent literature, little has been said regarding the morphological changes that occur in lung cells after treatment with particles and nanoparticles. Using an in vitro model of type-II lung epithelium (A549), we studied the effects of submicron particles (PM1.0), Parietaria officinalis (ALL), and PM1.0 + ALL together. To date several biochemical effects have been described, instead few data exist in literature regarding morphological events following these treatments, in particular we focused on the morphological changes and distribution of mitochondria, tonifilaments and rough endoplasmic reticulum, using a transmission electron microscopic (TEM) approach. After exposure to PM1.0 particles (PM1.0), Parietaria officinalis as allergen, and PM1.0 with P. officinalis, changes in the cytoplasmic area were observed, such as damage to mitochondria and morphological alterations of the tonifilaments and rough endoplasmic reticulum. The data obtained strongly support the hypothesis that cells in contact with submicron particles (PM1.0), or P. officinalis, undergo alteration of their metabolism. Copyright © 2014 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

  7. Household air pollution and personal inhalation exposure to particles (TSP/PM2.5/PM1.0/PM0.25) in rural Shanxi, North China.

    Huang, Ye; Du, Wei; Chen, Yuanchen; Shen, Guofeng; Su, Shu; Lin, Nan; Shen, Huizhong; Zhu, Dan; Yuan, Chenyi; Duan, Yonghong; Liu, Junfeng; Li, Bengang; Tao, Shu

    2017-12-01

    Personal exposure to size-segregated particles among rural residents in Shanxi, China in summer, 2011 were investigated using portable carried samplers (N = 84). Household air pollution was simultaneously studied using stationary samplers in nine homes. Information on household fuel types, cooking activity, smoking behavior, kitchen ventilation conditions etc., were also collected and discussed. The study found that even in the summer period, the daily average concentrations of PM 2.5 and PM 1.0 in the kitchen were as high as 376 ± 573 and 288 ± 397 μg/m 3 (N = 6), that were nearly 3 times of 114 ± 81 and 97 ± 77 μg/m 3 in the bedroom (N = 8), and significantly higher than those of 64 ± 28 and 47 ± 21 μg/m 3 in the outdoor air (N = 6). The personal daily exposure to PM 2.5 and PM 1.0 were 98 ± 52 and 77 ± 47 μg/m 3 , respectively, that were lower than the concentrations in the kitchen but higher than the outdoor levels. The mass fractions of PM 2.5 in TSP were 90%, 72%, 65% and 68% on average in the kitchen, bedroom, outdoor air and personal inhalation exposure, respectively, and moreover, a majority of particles in PM 2.5 had diameters less than 1.0 μm. Calculated time-weighted average exposure based on indoor and outdoor air concentrations and time spent indoor and outdoor were positively correlated but, was ∼33% lower than the directly measured exposure. The daily exposure among those burning traditional solid fuels could be lower by ∼41% if the kitchen was equipped with an outdoor chimney, but was still 8-14% higher than those household using cleaning energies, like electricity and gas. With a ventilator in the kitchen, the exposure among the population using clean energies could be further reduced by 10-24%. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Physicochemical properties, in vitro cytotoxic and genotoxic effects of PM1.0 and PM2.5 from Shanghai, China.

    Zou, Yajuan; Wu, Yizhao; Wang, Yali; Li, Yinsheng; Jin, Chengyu

    2017-08-01

    Exposure to ambient particulate matter (PM) links with a variety of respiratory diseases. However, compared with coarse particles (PM 10 ) and fine particles (PM 2.5 ), submicrometer particles (PM 1.0 ) may be a more important indicator of human health risks. In this study, the cytotoxic and genotoxic effects of PM 1.0 samples from Shanghai were examined using A549 cells, and compared with the effects of PM 2.5 , to better understand the health effects of PM 1.0 in this area. The PM 1.0 and PM 2.5 samples were characterized for morphology, water-soluble inorganic ions, organic and elemental carbon, and metal elements. The cytotoxicity of PMs was measured using cell viability and cell membrane damage assays. The genotoxic effects of PMs were determined using the comet assay, and DNA damage was quantified using olive tail moment (OTM) values. The physicochemical characterization indicated that PM 1.0 was enriched in carbonaceous elements and hazardous metals (Al, Zn, Pb, Mn, Cu, and V), whereas PM 2.5 was more abundant in large, irregular mineral particles. The biological results revealed that both PM 1.0 and PM 2.5 could induce significant cytotoxicity and genotoxicity in A549 cells, and that exposure to PM 1.0 caused more extensive toxic effects than exposure to PM 2.5 . The greater cytotoxic effects of PM 1.0 can be attributed to the combined effects of size and chemical composition, whereas the genotoxic effects of PM 1.0 may be mainly associated with chemical species.

  9. Quantification of vehicle fleet PM_1_0 particulate matter emission factors from exhaust and non-exhaust sources using tunnel measurement techniques

    Lawrence, Samantha; Sokhi, Ranjeet; Ravindra, Khaiwal

    2016-01-01

    Road tunnels act like large laboratories; they provide an excellent environment to quantify atmospheric particles emission factors from exhaust and non-exhaust sources due to their known boundary conditions. Current work compares the High Volume, Dichotomous Stacked Filter Unit and Partisol Air Sampler for coarse, PM_1_0 and PM_2_._5 particle concentration measurement and found that they do not differ significantly (p = 95%). PM_2_._5 fraction contributes 66% of PM_1_0 proportions and significantly influenced by traffic (turbulence) and meteorological conditions. Mass emission factors for PM_1_0 varies from 21.3 ± 1.9 to 28.8 ± 3.4 mg/vkm and composed of Motorcycle (0.0003–0.001 mg/vkm), Cars (26.1–33.4 mg/vkm), LDVs (2.4–3.0 mg/vkm), HDVs (2.2–2.8 mg/vkm) and Buses (0.1 mg/vkm). Based on Lawrence et al. (2013), source apportionment modelling, the PM_1_0 emission of brake wear (3.8–4.4 mg/vkm), petrol exhaust (3.9–4.5 mg/vkm), diesel exhaust (7.2–8.3 mg/vkm), re-suspension (9–10.4 mg/vkm), road surface wear (3.9–4.5 mg/vkm), and unexplained (7.2 mg/vkm) were also calculated. The current study determined that the combined non-exhaust fleet PM_1_0 emission factor (16.7–19.3 mg/vkm) are higher than the combined exhaust emission factor (11.1–12.8 mg/vkm). Thus, highlight the significance of non-exhaust emissions and the need for legislation and abatement strategies to reduce their contributions to ambient PM concentrations. - Highlights: • Calculations of exhaust/non-exhaust particulate emission factors using tunnel sampling and source apportionment techniques. • Non-exhaust emission dominates in the fine particle fraction, considered responsible for adverse human health impacts. • Emission factors for non-exhaust sources (e.g. tyre and brake) were calculated. • Fleet source PM_1_0 emission factor were also calculated, which can be used in dispersion modelling and health risk assessment. • Tukey mean

  10. Chemical composition of PM_1_0 and its in vitro toxicological impacts on lung cells during the Middle Eastern Dust (MED) storms in Ahvaz, Iran

    Naimabadi, Abolfazl; Ghadiri, Ata; Idani, Esmaeil; Babaei, Ali Akbar; Alavi, Nadali; Shirmardi, Mohammad; Khodadadi, Ali

    2016-01-01

    Reports on the effects of PM_1_0 from dust storm on lung cells are limited. The main purpose of this study was to investigate the chemical composition and in vitro toxicological impacts of PM_1_0 suspensions, its water-soluble fraction, and the solvent-extractable organics extracted from Middle Eastern Dust storms on the human lung epithelial cell (A549). Samples of dust storms and normal days (PM_1_0   0.05). These results led to the conclusions that dust storm PM_1_0 as well as normal day PM_1_0 could lead to cytotoxicity, and the organic compounds (PAH_s) and the insoluble particle-core might be the main contributors to cytotoxicity. Our results showed that cytotoxicity and the risk of PM_1_0 to human lung may be more severe during dust storm than normal days due to inhalation of a higher mass concentration of airborne particles. Further research on PM dangerous fractions and the most responsible components to make cytotoxicity in exposed cells is recommended. - Highlights: • Chemical compositions of PM_1_0 during normal and dust event days were obtained. • Heavy metal concentrations in dusty conditions were higher than normal days. • PM_1_0 caused a decrease in the cell viability and an increase in LDH in supernatant. • Water-soluble fraction had severe cytotoxicity than solvent extractable organics. • Higher mass concentrations of PM_1_0 may contribute to more severe cytotoxicity. - Inhalation of higher mass concentration of PM during the MED storms may contribute to more severe cytotoxicity than normal days.

  11. Chemical characteristics and influence of continental outflow on PM1.0, PM2.5 and PM10 measured at Tuoji island in the Bohai Sea.

    Zhang, Junmei; Yang, Lingxiao; Mellouki, Abdelwahid; Wen, Liang; Yang, Yumeng; Gao, Ying; Jiang, Pan; Li, Yanyan; Wang, Wenxing

    2016-12-15

    To investigate the chemical characteristics and sources of size-segregated particles in the background region, PM 1.0 , PM 2.5 and PM 10 samples were collected in Tuoji Island (TI) during the winter of 2014. Water-soluble inorganic ions (WSIIs) including Na + , NH 4 + , K + , Mg 2+ , Ca 2+ , Cl - , NO 3 - and SO 4 2- , organic carbon (OC) and elemental carbon (EC) and water-soluble organic carbon (WSOC) were analysed. The average mass concentrations of PM 1.0 , PM 2.5 and PM 10 were 44.5μg/m 3 , 62.0μg/m 3 and 94.4μg/m 3 , respectively, and particles were importantly enriched in PM 1.0 . Secondary WSIIs (NH 4 + , NO 3 - and SO 4 2- ) were the most abundant species, and their contribution was highest in PM 1.0 . The average values of NOR and SOR were more than 0.1 in PM 1.0 , suggesting that secondary formation of SO 4 2- and NO 3 - from the gas precursors SO 2 and NO 2 occurred in PM 1.0 . Secondary organic carbon accounted for 62.3% in PM 1.0 , 61.9% in PM 1.0-2.5 and 48.9% in PM 2.5-10 of OC, formed mainly in the fine mode. The particles concentrations were mainly affected by air mass from the North China Plain, especially the air mass from the southwest of Shandong province, which had low speed and altitude. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. FTIR analysis and evaluation of carcinogenic and mutagenic risks of nitro-polycyclic aromatic hydrocarbons in PM1.0.

    Schneider, Ismael Luís; Teixeira, Elba Calesso; Agudelo-Castañeda, Dayana Milena; Silva E Silva, Gabriel; Balzaretti, Naira; Braga, Marcel Ferreira; Oliveira, Luís Felipe Silva

    2016-01-15

    Nitro-polycyclic aromatic hydrocarbons (NPAHs) represent a group of organic compounds of significant interest due to their presence in airborne particulates of urban centers, wide distribution in the environment, and mutagenic and carcinogenic properties. These compounds, associated with atmospheric particles of size PM1.0) using infrared spectrometry. Carcinogenic and mutagenic risks of the studied NPAHs associated with PM1.0 samples were also determined for two sampling sites: Canoas and Sapucaia do Sul. The results showed that NPAH standard spectra can effectively identify NPAHs in PM1.0 samples. The transmittance and emissivity sample spectra showed broader bands and lower relative intensity than the standard NPAH spectra. The carcinogenic risk and the total mutagenic risk were calculated using the toxic equivalent factors and mutagenic potency factors, respectively. Canoas showed the highest total carcinogenic risk, while Sapucaia do Sul had the highest mutagenic risk. The seasonal analysis suggested that in the study area the ambient air is more toxic during the cold periods. These findings might of significant importance for the decision and policy making authorities.

  13. Short-term exposure to fine and coarse particles and mortality: A multicity time-series study in East Asia

    Lee, Hyewon; Honda, Yasushi; Hashizume, Masahiro; Guo, Yue Leon; Wu, Chang-Fu; Kan, Haidong; Jung, Kweon; Lim, Youn-Hee; Yi, Seungmuk; Kim, Ho

    2015-01-01

    Few studies on size-specific health effects of particulate matter have been conducted in Asia. We examined the association between both fine and coarse particles (PM_2_._5 and PM_1_0_−_2_._5) and mortality across 11 East Asian cities from 4 countries (Korea, Japan, Taiwan, and China). We performed a two-stage analysis: we generated city-specific estimates using a time-series analysis with a generalized additive model (Quasi-Poisson distribution), and estimated the overall effects by conducting a meta-analysis. Each 10−μg/m"3 increase in PM_2_._5 (lag01) was associated with an increase of 0.38% (95% confidence interval = 0.21%–0.55%) in all causes mortality, 0.96% (0.46%–1.46%) in cardiovascular mortality, and 1% (0.23%–1.78%) in respiratory mortality. Each 10−μg/m"3 increase in PM_1_0_−_2_._5 (lag01) was associated with cardiovascular mortality (0.69%, [0.05%–1.33%]), although this association attenuated after controlling for other pollutants, especially PM_2_._5. Increased mortality was associated with increasing PM_2_._5 and PM_1_0_−_2_._5 concentrations over 11 East Asian cities. - Highlights: • Few studies on size-specific health effects of PM have been conducted in East Asia. • We estimated size-specific PM effects on mortality over 11 East Asian cities. • Both fine and coarse particles were associated with mortality in East Asian cites. • Effect estimates for fine particles were higher than those for coarse particles. - Short-term exposure to PM_2_._5 and PM_1_0_−_2_._5 was associated with an increased risk of mortality in East Asian cities, and PM_2_._5 effect estimates were higher than PM_1_0_−_2_._5.

  14. Ionic and carbonaceous compositions of PM10, PM2.5 and PM1.0 at Gosan ABC Superstation and their ratios as source signature

    S. Kim

    2012-02-01

    Full Text Available PM1.0, PM2.5, and PM10 were sampled at Gosan ABC Superstation on Jeju Island from August 2007 to September 2008. The carbonaceous aerosols were quantified with the thermal/optical reflectance (TOR method, which produced five organic carbon (OC fractions, OC1, OC2, OC3, OC4, and pyrolyzed organic carbon (OP, and three elemental carbon (EC fractions, EC1, EC2, and EC3. The mean mass concentrations of PM1.0, PM2.5, and PM10 were 13.7 μg m−3, 17.2 μg m−3, and 28.4 μg m−3, respectively. The averaged mass fractions of OC and EC were 23.0% and 10.4% for PM1.0, 22.9% and 9.8% for PM2.5, and 16.4% and 6.0% for PM10. Among the OC and EC sub-components, OC2 and EC2+3 were enriched in the fine mode, but OC3 and OC4 in the coarse mode. The filter-based PM1.0 EC agreed well with black carbon (BC measured by an Aethalometer, and PM10 EC was higher than BC, implying less light absorption by larger particles. EC was well correlated with sulfate, resulting in good relationships of sulfate with both aerosol scattering coefficient measured by Nephelometer and BC concentration. Our measurements of EC confirmed the definition of EC1 as char-EC emitted from smoldering combustion and EC2+3 as soot-EC generated from higher-temperature combustion such as motor vehicle exhaust and coal combustion (Han et al., 2010. In particular, EC1 was strongly correlated with potassium, a traditional biomass burning indicator, except during the summer, when the ratio of EC1 to EC2+3 was the lowest. We also found the ratios of major chemical species to be a useful tool to constrain the main sources of aerosols, by which the five air masses were well distinguished: Siberia, Beijing, Shanghai, Yellow Sea, and East Sea types. Except Siberian air, the continental background of the study region, Beijing plumes showed the highest EC1 (and OP to sulfate ratio, which implies that this air mass had the highest net warming by aerosols of the four air masses. Shanghai-type air, which was

  15. Experimental investigation of coarse particle conveying in pipes

    Vlasak Pavel

    2015-01-01

    Full Text Available The advanced knowledge of particle-water mixture flow behaviour is important for safe, reliable, and economical design and operation of the freight pipelines. The effect of the mixture velocity and concentration on the coarse particle – water mixtures flow behaviour was experimentally investigated on an experimental pipe loop of inner diameter D = 100 mm with horizontal, vertical, and inclined pipe sections. Narrow particle size distribution basalt pebbles were used as model of coarse-grained solid particles. The radiometric method was used to measure particle concentration distribution in pipe cross-section. Mixture flow behaviour and particles motion along the pipe invert were studied in a pipe viewing section. The study revealed that the coarse particlewater mixtures in the horizontal and inclined pipe sections were significantly stratified. The particles moved principally in a layer close to the pipe invert. However, for higher and moderate flow velocities the particles moved also in the central part of the pipe cross-section, and particle saltation was found to be dominant mode of particle conveying.

  16. Innovations in the flotation of fine and coarse particles

    Fornasiero, D.; Filippov, L. O.

    2017-07-01

    Research on the mechanisms of particle-bubble interaction has provided valuable information on how to improve the flotation of fine (100 µm) with novel flotation machines which provide higher collision and attachment efficiencies of fine particles with bubbles and lower detachment of the coarse particles. Also, new grinding methods and technologies have reduced energy consumption in mining and produced better mineral liberation and therefore flotation performance.

  17. Coarse particles-water mixtures flow in pipes

    Vlasák, Pavel

    2017-01-01

    Roč. 225, č. 2017 (2017), s. 338-341 ISSN 2411-3336 R&D Projects: GA ČR GAP105/10/1574 Institutional support: RVO:67985874 Keywords : hydrotransport * coarse particles pipeline installation * pressure drop * pipe inclination Subject RIV: BK - Fluid Dynamics OBOR OECD: Fluids and plasma physics (including surface physics)

  18. Exposure to polycyclic aromatic hydrocarbons in atmospheric PM1.0 of urban environments: Carcinogenic and mutagenic respiratory health risk by age groups.

    Agudelo-Castañeda, Dayana M; Teixeira, Elba C; Schneider, Ismael L; Lara, Sheila Rincón; Silva, Luis F O

    2017-05-01

    We investigated the carcinogenic and mutagenic respiratory health risks related to the exposure to atmospheric PAHs in an urban area. Our study focused in the association of these pollutants and their possible effect in human health, principally respiratory and circulatory diseases. Also, we determined a relationship between the inhalation risk of PAHs and meteorological conditions. We validated the hypothesis that in winter PAHs with high molecular weight associated to submicron particles (PM 1 ) may increase exposure risk, especially for respiratory diseases, bronchitis and pneumonia diseases. Moreover, in our study we verified the relationship between diseases and several carcinogenic PAHs (Ind, BbkF, DahA, BaP, and BghiP). These individual PAHs contributed the most to the potential risk of exposure for inhalation of PM 1.0 . Even at lower ambient concentrations of BaP and DahA in comparison with individual concentrations of other PAHs associated to PM 1.0 . Mainly, research suggests to include carcinogenic and mutagenic PAHs in future studies of environmental health risk due to their capacity to associate to PM 10 . Such carcinogenic and mutagenic PAHs are likely to provide the majority of the human exposure, since they originate from dense traffic urban areas were humans congregate. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. PM 10, PM 2.5 and PM 1.0—Emissions from industrial plants—Results from measurement programmes in Germany

    Ehrlich, C.; Noll, G.; Kalkoff, W.-D.; Baumbach, G.; Dreiseidler, A.

    Emission measurement programmes were carried out at industrial plants in several regions of Germany to determine the fine dust in the waste gases; the PM 10, PM 2.5 and PM 1.0 fractions were sampled using a cascade impactor technique. The installations tested included plants used for: combustion (brown coal, heavy fuel oil, wood), cement production, glass production, asphalt mixing, and processing plants for natural stones and sand, ceramics, metallurgy, chemical production, spray painting, wood processing/chip drying, poultry farming and waste treatment. In addition waste gas samples were taken from small-scale combustion units, like domestic stoves, firing lignite briquettes or wood. In total 303 individual measurement results were obtained during 106 different measurement campaigns. In the study it was found that in more than 70% of the individual emission measurement results from industrial plants and domestic stoves the PM 10 portion amounted to more than 90% and the PM 2.5 portion between 50% and 90% of the total PM (particulate matter) emission. For thermal industrial processes the PM 1.0 portion constituted between 20% and 60% of the total PM emission. Typical particle size distributions for different processes were presented as cumulative frequency distributions and as frequency distributions. The particle size distributions determined for the different plant types show interesting similarities and differences depending on whether the processes are thermal, mechanical, chemical or mixed. Consequently, for the groups of plant investigated, a major finding of this study has been that the particle size distribution is a characteristic of the industrial process. Attempts to correlate particle size distributions of different plants to different gas cleaning technologies did not lead to usable results.

  20. Chemical characterization and quantitativ e assessment of source-specific health risk of trace metals in PM1.0 at a road site of Delhi, India.

    Prakash, Jai; Lohia, Tarachand; Mandariya, Anil K; Habib, Gazala; Gupta, Tarun; Gupta, Sanjay K

    2018-03-01

    This study presents the concentration of submicron aerosol (PM 1.0 ) collected during November, 2009 to March, 2010 at two road sites near the Indian Institute of Technology Delhi campus. In winter, PM 1.0 composed 83% of PM 2.5 indicating the dominance of combustion activity-generated particles. Principal component analysis (PCA) proved secondary aerosol formation as a dominant process in enhancing aerosol concentration at a receptor site along with biomass burning, vehicle exhaust, road dust, engine and tire tear wear, and secondary ammonia. The non-carcinogenic and excess cancer risk for adults and children were estimated for trace element data set available for road site and at elevated site from another parallel work. The decrease in average hazard quotient (HQ) for children and adults was estimated in following order: Mn > Cr > Ni > Pb > Zn > Cu both at road and elevated site. For children, the mean HQs were observed in safe level for Cu, Ni, Zn, and Pb; however, values exceeded safe limit for Cr and Mn at road site. The average highest hazard index values for children and adults were estimated as 22 and 10, respectively, for road site and 7 and 3 for elevated site. The road site average excess cancer risk (ECR) risk of Cr and Ni was close to tolerable limit (10 -4 ) for adults and it was 13-16 times higher than the safe limit (10 -6 ) for children. The ECR of Ni for adults and children was 102 and 14 times higher at road site compared to elevated site. Overall, the observed ECR values far exceed the acceptable level.

  1. Assesment of Pb concentration in PM_2_,_5 and PM_1_0 at Serpong area

    Rita; Esrom Hamonangan; Halimah Syafrul; Muhayatun Santoso; Diah Dwiana Lestian

    2010-01-01

    Ambient air pollution, especially Pb, in Serpong area has been detected since 1996. Pollution caused by heavy metals Pb deserve serious attention because of the impact is very influential on health such as reduced levels of intelligence, learning disability, symptoms of anemia, barriers to growth, poor cognitive development, weakened immune system, symptoms of autism, and even premature death. This study was conducted to determine Pb concentration of PM_2_,_5 and PM_1_0 in four residential locations in Serpong area as part of a series of comprehensive studies for the characterization and identification of sources pollution. Particulates were sampled using Gent Stacked Filter Unit Sampler at 3 housing locations and 1 office location in the period of August 25 to November 3, 2008, Samples were analyzed using nuclear analytical techniques, Proton Induced X-ray Emission. The results showed that the activity concentration of Pb in PM_2_,_5 for the location of Setu, Pusarpedal, Batan Indah, and BSD were in the range of 33-388, 12-254, 6-282, and 5-332 ng/m"3, while for PM_1_0 were 69-732, 59-647, 31-810, and 28718 ng/m"3, respectively, In general, Pb concentrations in Serpong area were higher than those in some other cities in Asia region. These results are expected to be used as scientific based reference in formulating, taking action, and appropriate policies to overcome environmental problems. (author)

  2. Characteristics of fine and coarse particles of natural and urban aerosols of Brazil

    Orsini, C.M.Q.; Tabacniks, M.H.; Artaxo Netto, P.E.; Andrade, M.F.; Kerr, A.

    1986-02-01

    Fine and coarse particles have been sampled from 1982 to 1985 in one natural forest seacoast site (Jureia) and five urban-industrial cities (Vitoria, Salvador, Porto Alegre, Sao Paulo, and Belo Horizonte). The time variations of concentrations in air and the relative elemental compositions of fine and coarse particle fractions, sampled by Nuclepore stacked filter units (SFU), have been determined gravimetrically and by PIXE analysis, respectively. Enrichment factors and correlation coefficients of the trace elements measured lead to unambiguous characterization of soil dust and sea salt, both major aerosol sources that emit coarse particles, and soil dust is also a significant source of fine particles. (Author) [pt

  3. Springtime variations of organic and inorganic constituents in submicron aerosols (PM1.0) from Cape Hedo, Okinawa

    Kunwar, Bhagawati; Torii, K.; Zhu, Chunmao; Fu, Pingqing; Kawamura, Kimitaka

    2016-04-01

    During the spring season with enhanced Asian outflow, we collected submicron aerosol (PM1.0) samples at Cape Hedo, Okinawa Island in the western North Pacific Rim. We analyzed the filter samples for diacids, oxoacids, pyruvic acid, α-dicarbonyls and fatty acids to better understand the sources and atmospheric processes in the outflow regions of Asian pollutants. Molecular distributions of diacids show a predominance of oxalic acid (C2) followed by malonic (C3) and succinic (C4) acids. Total diacids strongly correlated with secondary source tracers such as SO42- (r = 0.87), NH4+ (0.90) and methanesulfonate (MSA-) (0.84), suggesting that diacids are secondarily formed from their precursor compounds. We also found good correlations among C2, organic carbon (OC) and elemental carbon (EC) in the Okinawa aerosols, suggesting that diacids are mainly derived from anthropogenic sources. However, a weak correlation of diacids with levoglucosan, a biomass burning tracer, suggests that biomass buring is not the main source of diacids, rather diacids are secondarily formed by photochemical oxidation of organic precursors derived from fossil fuel combustion. We found a strong correlation (r = 0.98) between inorganic nitrogen (NO3-N + NH4-N) and total nitrogen (TN), to which organic nitrogen (ON) contributed 23%. Fatty acids were characterized by even carbon number predominance, suggesting that they are derived from biogenic sources. The higher abundances of short chain fatty acids (C20) further suggest that fatty acids are largely derived from marine phytoplankton during spring bloom.

  4. Chemical characterization of PM1.0 aerosol in Delhi and source apportionment using positive matrix factorization.

    Jaiprakash; Singhai, Amrita; Habib, Gazala; Raman, Ramya Sunder; Gupta, Tarun

    2017-01-01

    Fine aerosol fraction (particulate matter with aerodynamic diameter <= 1.0 μm (PM) 1.0 ) over the Indian Institute of Technology Delhi campus was monitored day and night (10 h each) at 30 m height from November 2009 to March 2010. The samples were analyzed for 5 ions (NH 4 + , NO 3 - , SO 4 2- , F - , and Cl - ) and 12 trace elements (Na, K, Mg, Ca, Pb, Zn, Fe, Mn, Cu, Cd, Cr, and Ni). Importantly, secondary aerosol (sulfate and nitrate) formation was observed during dense foggy events, supporting the fog-smog-fog cycle. A total of 76 samples were used for source apportionment of PM mass. Six factors were resolved by PMF analyses and were identified as secondary aerosol, secondary chloride, biomass burning, soil dust, iron-rich source, and vehicular emission. The geographical location of the sources and/or preferred transport pathways was identified by conditional probability function (for local sources) and potential source contribution function (for regional sources) analyses. Medium- and small-scale metal processing (e.g. steel sheet rolling) industries in Haryana and National Capital Region (NCR) Delhi, coke and petroleum refining in Punjab, and thermal power plants in Pakistan, Punjab, and NCR Delhi were likely contributors to secondary sulfate, nitrate, and secondary chloride at the receptor site. The agricultural residue burning after harvesting season (Sept-Dec and Feb-Apr) in Punjab, and Haryana contributed to potassium at receptor site during November-December and March 2010. The soil dust from North and East Pakistan, and Rajasthan, North-East Punjab, and Haryana along with the local dust contributed to soil dust at the receptor site, during February and March 2010. A combination of temporal behavior and air parcel trajectory ensemble analyses indicated that the iron-rich source was most likely a local source attributed to emissions from metal processing facilities. Further, as expected, the vehicular emissions source did not show any seasonality and was local in origin.

  5. [Characterization of water-soluble inorganic ions in PM2.5 and PM1.0 in summer in Guangzhou].

    Tao, Jun; Zhang, Ren-jian; Dong, Lin; Zhang, Tao; Zhu, Li-hua; Han, Jing-lei; Xu, Zhen-cheng

    2010-07-01

    PM2.5 and PM1.0 samples were collected simultaneously during July of 2008 in Guangzhou. The concentrations of water-soluble inorganic ions (Na+, NH4+, K+, Mg2+, Ca2+, F-, Cl-, NO3-, and SO4(2-)) were determined by ion chromatography. Meteorological parameters, atmospheric scattering, visibility, and concentrations of trace gases (SO2, NO2, and O3) for this period were also recorded. The results showed the total water-soluble inorganic ions concentrations were (25.5 +/- 10.9) microg x m(-1) and (22. 7 +/- 10.5) microg x m(-3) in PM2.5 and PM1.0, which occupied (47.9 +/- 4.3)% and (49.3 +/- 4.3)% of PM mass respectively. Sulfate was the most abundant ion and contributed (25.8 +/- 4.0)% of PM2.5 mass and (27.5 +/- 4.5)% of PM1.0 mass respectively. High temperature and high ozone level favored the formation of sulfate from sulfur dioxide, while the high relative humidity favored the formation of nitrate were observed. Moreover, sulfate, nitrate, and ammonium in PM2.5 and PM1.0 had great impact on the scattering coefficient and visibility degradation.

  6. Characterization of short- and medium-chain chlorinated paraffins in outdoor/indoor PM10/PM2.5/PM1.0 in Beijing, China.

    Huang, Huiting; Gao, Lirong; Xia, Dan; Qiao, Lin; Wang, Runhua; Su, Guijin; Liu, Wenbin; Liu, Guorui; Zheng, Minghui

    2017-06-01

    Persistent organic pollutants (POPs) were listed in the Stockholm Convention, because of their adverse health effects, persistence, bioaccumulation and ubiquitous presence in the environment. Short chain chlorinated paraffins (SCCPs), chlorinated derivatives of n-alkanes, have been listed as candidate POPs under Stockholm Convention. Inhalation uptake was an important exposure pathway for non-occupational adult human and the pollution of particle matter has caused great concern. There are some studies focused on POPs such as polychlorinated biphenyls, polychlorinated dibenzo-p-dioxins and dibenzofurans and polybrominated diphenyl ethers in different size particles. However, there were no studies that discussed CP concentrations in particulate matter (PM) with different sizes. In this study, a total of 30 PM samples were collected both outdoors and indoors at a sampling site in Beijing. These samples were used to investigate the concentrations and distributions of SCCPs and medium chain chlorinated paraffins (MCCPs) in PM fractions of different sizes, and to evaluate inhalation exposure risks. The results showed that the average SCCPs and MCCPs in the outdoor PM 10 were 23.9 and 3.6 ng m -3 , while the mean values in indoor were 61.1 and 6.9 ng m -3 , respectively. The levels of SCCPs and MCCPs in indoor and outdoor were relatively high. SCCP and MCCP concentrations in the indoor PM 10 /PM 2.5 /PM 1.0 samples were higher than the corresponding values in the outdoor, because of the using of some products containing CPs in the indoors, like paints and coatings, leather and rubber products. In both outdoor and indoor air, CPs are mainly associated with particles ≤2.5 μm in diameter. The main homolog groups for both SCCPs and MCCPs were C 10-11 Cl 7-8 . It is assumed that SCCPs in the outdoor and indoor PM samples may mainly derive from the production and use of CP-42 and CP-52. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Coarse-grained stochastic processes and kinetic Monte Carlo simulators for the diffusion of interacting particles

    Katsoulakis, Markos A.; Vlachos, Dionisios G.

    2003-11-01

    We derive a hierarchy of successively coarse-grained stochastic processes and associated coarse-grained Monte Carlo (CGMC) algorithms directly from the microscopic processes as approximations in larger length scales for the case of diffusion of interacting particles on a lattice. This hierarchy of models spans length scales between microscopic and mesoscopic, satisfies a detailed balance, and gives self-consistent fluctuation mechanisms whose noise is asymptotically identical to the microscopic MC. Rigorous, detailed asymptotics justify and clarify these connections. Gradient continuous time microscopic MC and CGMC simulations are compared under far from equilibrium conditions to illustrate the validity of our theory and delineate the errors obtained by rigorous asymptotics. Information theory estimates are employed for the first time to provide rigorous error estimates between the solutions of microscopic MC and CGMC, describing the loss of information during the coarse-graining process. Simulations under periodic boundary conditions are used to verify the information theory error estimates. It is shown that coarse-graining in space leads also to coarse-graining in time by q2, where q is the level of coarse-graining, and overcomes in part the hydrodynamic slowdown. Operation counting and CGMC simulations demonstrate significant CPU savings in continuous time MC simulations that vary from q3 for short potentials to q4 for long potentials. Finally, connections of the new coarse-grained stochastic processes to stochastic mesoscopic and Cahn-Hilliard-Cook models are made.

  8. Preliminary analysis of variability in concentration of fine particulate matter - PM1.0, PM2.5 and PM10 in area of Poznań city

    Sówka Izabela

    2018-01-01

    Full Text Available It is commonly known, that suspended particulate matter pose a threat to human life and health, negatively influence the flora, climate and also materials. Especially dangerous is the presence of high concentration of particulate matter in the area of cities, where density of population is high. The research aimed at determining the variability of suspended particulate matter concentration (PM1.0, PM2.5 and PM10 in two different thermal seasons, in the area of Poznań city. As a part of carried out work we analyzed the variability of concentrations and also performed a preliminary analysis of their correlation. Measured concentrations of particulate matter were contained within following ranges: PM10 – 8.7-69.6 μg/m3, PM2.5 – 2.2-88.5 μg/m3, PM1.0 – 2.5-22.9 μg/m3 in the winter season and 1.0-42.8 μg/m3 (PM10, 1.2-40.3 μg/m3 (PM2.5 and 2.7-10.4 (PM1.0 in the summer season. Preliminary correlative analysis indicated interdependence between the temperature of air, the speed of wind and concentration of particulate matter in selected measurement points. The values of correlation coefficients between the air temperature, speed of wind and concentrations of particulate matter were respectively equal to: for PM10: -0.59 and -0.55 (Jana Pawła II Street, -0.53 and -0.53 (Szymanowskiego Street, for PM2.5: -0.60 and -0.53 (Jana Pawła II Street and for PM1.0 -0.40 and -0.59 (Jana Pawła II Street.

  9. Associations between immune function in yearling beef cattle and airborne polycyclic aromatic hydrocarbons and PM1.0 near oil and natural gas field facilities.

    Bechtel, Daniel G; Waldner, Cheryl L; Wickstrom, Mark

    2009-01-01

    Researchers determined the potential associations between exposure to airborne fine particulate matter (ie, particulate matter that is PM1.0) and polycyclic aromatic hydrocarbons (PAHs) and immune system function in beef cattle by using blood samples collected from yearling cattle in 22 herds in the spring of 2002. The herds were located at variable distances from industry field facilities in the major oil- and gas-producing areas of western Canada. The researchers evaluated immune system competence by measuring populations of B-lymphocytes and T-lymphocyte subtypes (CD4, CD8, gammadelta, and WC1) in peripheral circulation (n = 469), and systemic antibody production in response to vaccine administration (n = 446). They used particulate air monitors to estimate the exposure of the cattle to airborne contaminants by determining mean monthly concentrations of PM1.0 and 24 different PAHs from January to June. The mean concentration of PAHs measured in the ambient air of herds monitored in this study was low, with naphthalene being present in the highest concentration (geometric mean = 5.6 ng/m3; geometric standard deviation = 38), followed by 1-methylnaphthalene (geometric mean = 2.2 ng/m3; geometric standard deviation = 12). The geometric mean monthly exposure to PM1.0 was 7.1 microg/m3 (geometric standard deviation = 1.5) for the same period. The researchers detected no significant plausible associations between exposure to any measured airborne contaminants and immune system function.

  10. Distribution of concentration of coarse particle-water mixture in horizontal smooth pipe

    Vlasák, Pavel; Chára, Zdeněk; Konfršt, Jiří; Krupička, Jan

    2016-01-01

    Roč. 94, č. 6 (2016), s. 1040-1047 ISSN 0008-4034 R&D Projects: GA ČR GAP105/10/1574 Institutional support: RVO:67985874 Keywords : coarse particle-water mixture * gamma-ray radiometry * concentration distribution * horizontal conveying Subject RIV: BK - Fluid Dynamics Impact factor: 1.356, year: 2016

  11. Passive Sampling to Capture the Spatial Variability of Coarse Particles by Composition in Cleveland, OH

    Passive samplers deployed at 25 sites for three week-long intervals were used to characterize spatial variability in the mass and composition of coarse particulate matter (PM10-2.5) in Cleveland, OH in summer 2008. The size and composition of individual particles deter...

  12. Distribution of concentration of coarse particle-water mixture in horizontal smooth pipe

    Vlasák, Pavel; Chára, Zdeněk; Konfršt, Jiří; Krupička, Jan

    2016-01-01

    Roč. 94, č. 6 (2016), s. 1040-1047 ISSN 0008-4034 R&D Projects: GA ČR GAP105/10/1574 Institutional support: RVO:67985874 Keywords : coarse particle- water mixture * gamma-ray radiometry * concentration distribution * horizontal conveying Subject RIV: BK - Fluid Dynamics Impact factor: 1.356, year: 2016

  13. Discrete Element Modeling of the Mobilization of Coarse Gravel Beds by Finer Gravel Particles

    Hill, K. M.; Tan, D.

    2012-12-01

    Recent research has shown that the addition of fine gravel particles to a coarse bed will mobilize the coarser bed, and that the effect is sufficiently strong that a pulse of fine gravel particles can mobilize an impacted coarser bed. Recent flume experiments have demonstrated that the degree of bed mobilization by finer particles is primarily dependent on the particle size ratio of the coarse and fine particles, rather than absolute size of either particle, provided both particles are sufficiently large. However, the mechanism behind the mobilization is not understood. It has previously been proposed that the mechanism is driven by a combination of geometric effects and hydraulic effects. For example, it has been argued that smaller particles fill in gaps along the bed, resulting in a smoother bed over which the larger particles are less likely to be disentrained and a reduced near-bed flow velocity and subsequent increased drag on protruding particles. Altered near-bed turbulence has also been cited as playing an important role. We perform simulations using the discrete element method with one-way fluid-solid coupling to conduct simulations of mobilization of a gravel bed by fine gravel particles. By independently and artificially controlling average and fluctuating velocity profiles, we systematically investigate the relative role that may be played by particle-particle interactions, average near-bed velocity profiles, and near-bed turbulence statistics. The simulations indicate that the relative importance of these mechanisms changes with the degree of mobilization of the bed. For higher bed mobility similar to bed sheets, particle-particle interactions, plays a significant role in an apparent rheology in the bed sheets, not unlike that observed in a dense granular flow of particles of different sizes. For conditions closer to a critical shear stress for bedload transport, the near-bed velocity profiles and turbulence statistics become increasingly important.

  14. Associations between fine particle, coarse particle, black carbon and hospital visits in a Chinese city.

    Wang, Xi; Chen, Renjie; Meng, Xia; Geng, Fuhai; Wang, Cuicui; Kan, Haidong

    2013-08-01

    China is one of the countries with the highest ambient particle levels in the world; however, there have been no epidemiologic studies examining the effects of fine particle (PM2.5), coarse particle (PM10-2.5) and black carbon (BC) simultaneously on morbidity outcomes. In this study, we conducted a time-series analysis to evaluate the acute effects of PM2.5, PM10-2.5, and BC on daily hospital visits in Shanghai, China. During our study period, the mean daily concentrations of PM2.5, PM10-2.5 and BC were 53.9 μg/m(3), 38.4 μg/m(3) and 3.9 μg/m(3), respectively. We found significant associations of PM2.5, PM 10-2.5, and BC with daily hospital visits. An inter-quartile range increase of the average concentrations of the current and previous days in PM2.5, PM10-2.5 and BC was associated with a 1.88% (95% CI: 0.69% to 3.06%), a 1.30% (95% CI: 0.25% to 2.34%) and a 1.33% (95% CI: 0.34% to 2.32%) increase in emergency-room visits, respectively. For outpatient visits, the corresponding estimated changes were -2.44% (95% CI: -6.62% to 1.74%), 1.09% (95% CI: -2.72% to 4.90%) and 3.34% (95% CI: 0.10% to 6.57%) respectively. The effects of BC were more robust than the effects of PM2.5 and PM10-2.5 in two-pollutant models. To our knowledge, this is the first study in China, or even in Asian developing countries, to report the effect of PM2.5, PM10-2.5, and BC simultaneously on morbidity. Our findings also suggest that BC could serve as a valuable air quality indicator that reflects the health risks of airborne particles. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Indoor air quality modeling for PM 10, PM 2.5, and PM 1.0 in naturally ventilated classrooms of an urban Indian school building.

    Goyal, Radha; Khare, Mukesh

    2011-05-01

    Assessment of indoor air quality (IAQ) in classrooms of school buildings is of prime concern due to its potential effects on student's health and performance as they spend a substantial amount of their time (6-7 h per day) in schools. A number of airborne contaminants may be present in urban school environment. However, respirable suspended particulate matter (RSPM) is of great significance as they may significantly affect occupants' health. The objectives of the present study are twofold, one, to measure the concentrations of PM(10) (building located near a heavy-traffic roadway (9,755 and 4,296 vehicles/hour during weekdays and weekends, respectively); and second, to develop single compartment mass balance-based IAQ models for PM(10) (NVIAQM(pm10)), PM(2.5) (NVIAQM(pm2.5)), and PM(1.0) (NVIAQM(pm1.0)) for predicting their indoor concentrations. Outdoor RSPM levels and classroom characteristics, such as size, occupancy level, temperature, relative humidity, and CO(2) concentrations have also been monitored during school hours. Predicted indoor PM(10) concentrations show poor correlations with observed indoor PM(10) concentrations (R (2) = 0.028 for weekdays, and 0.47 for weekends). However, a fair degree of agreement (d) has been found between observed and predicted concentrations, i.e., 0.42 for weekdays and 0.59 for weekends. Furthermore, NVIAQM(pm2.5) and NVIAQM(pm1.0) results show good correlations with observed concentrations of PM(2.5) (R(2) = 0.87 for weekdays and 0.9 for weekends) and PM(1.0) (R(2) = 0.86 for weekdays and 0.87 for weekends). NVIAQM(pm10) shows the tendency to underpredict indoor PM(10) concentrations during weekdays as it does not take into account the occupant's activities and its effects on the indoor concentrations during the class hours. Intense occupant's activities cause resuspension or delayed deposition of PM(10). The model results further suggests conductance of experimental and physical simulation studies on dispersion of particulates indoors to investigate their resuspension and settling behavior due to occupant's activities/movements. The models have been validated at three different classroom locations of the school site. Sensitivity analysis of the models has been performed by varying the values of mixing factor (k) and newly introduced parameter R(c). The results indicate that the change in values of k (0.33 to 1.00) does not significantly affect the model performance. However, change in value of R(c) (0.001 to 0.500) significantly affects the model performance.

  16. Effects of Particle Size on the Shear Behavior of Coarse Grained Soils Reinforced with Geogrid

    Daehyeon Kim

    2014-02-01

    Full Text Available In order to design civil structures that are supported by soils, the shear strength parameters of soils are required. Due to the large particle size of coarse-grained soils, large direct shear tests should be performed. In this study, large direct shear tests on three types of coarse grained soils (4.5 mm, 7.9 mm, and 15.9 mm were performed to evaluate the effects of particle size on the shear behavior of coarse grained soils with/without geogrid reinforcements. Based on the direct shear test results, it was found that, in the case of no-reinforcement, the larger the maximum particle size became, the larger the friction angle was. Compared with the no-reinforcement case, the cases reinforced with either soft geogrid or stiff geogrid have smaller friction angles. The cohesion of the soil reinforced with stiff geogrid was larger than that of the soil reinforced with soft geogrid. The difference in the shear strength occurs because the case with a stiff geogrid has more soil to geogrid contact area, leading to the reduction in interlocking between soil particles.

  17. Effects of Particle Size on the Shear Behavior of Coarse Grained Soils Reinforced with Geogrid.

    Kim, Daehyeon; Ha, Sungwoo

    2014-02-07

    In order to design civil structures that are supported by soils, the shear strength parameters of soils are required. Due to the large particle size of coarse-grained soils, large direct shear tests should be performed. In this study, large direct shear tests on three types of coarse grained soils (4.5 mm, 7.9 mm, and 15.9 mm) were performed to evaluate the effects of particle size on the shear behavior of coarse grained soils with/without geogrid reinforcements. Based on the direct shear test results, it was found that, in the case of no-reinforcement, the larger the maximum particle size became, the larger the friction angle was. Compared with the no-reinforcement case, the cases reinforced with either soft geogrid or stiff geogrid have smaller friction angles. The cohesion of the soil reinforced with stiff geogrid was larger than that of the soil reinforced with soft geogrid. The difference in the shear strength occurs because the case with a stiff geogrid has more soil to geogrid contact area, leading to the reduction in interlocking between soil particles.

  18. Coarse-grained forms for equations describing the microscopic motion of particles in a fluid.

    Das, Shankar P; Yoshimori, Akira

    2013-10-01

    Exact equations of motion for the microscopically defined collective density ρ(x,t) and the momentum density ĝ(x,t) of a fluid have been obtained in the past starting from the corresponding Langevin equations representing the dynamics of the fluid particles. In the present work we average these exact equations of microscopic dynamics over the local equilibrium distribution to obtain stochastic partial differential equations for the coarse-grained densities with smooth spatial and temporal dependence. In particular, we consider Dean's exact balance equation for the microscopic density of a system of interacting Brownian particles to obtain the basic equation of the dynamic density functional theory with noise. Our analysis demonstrates that on thermal averaging the dependence of the exact equations on the bare interaction potential is converted to dependence on the corresponding thermodynamic direct correlation functions in the coarse-grained equations.

  19. Flow behaviour and local concentration of coarse particles-water mixture in inclined pipes

    Vlasák, Pavel; Chára, Zdeněk; Konfršt, Jiří

    2017-01-01

    Roč. 65, č. 2 (2017), s. 183-191 ISSN 0042-790X R&D Projects: GA ČR GAP105/10/1574 Institutional support: RVO:67985874 Keywords : coarse particle mixture * concentration distribution * effect of pipe inclination * gamma-ray radiometry * Hydraulic conveying * mixture flow behaviour Subject RIV: BK - Fluid Dynamics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 1.654, year: 2016

  20. Culturable bioaerosols along an urban waterfront are primarily associated with coarse particles

    Angel Montero

    2016-12-01

    Full Text Available The source, characteristics and transport of viable microbial aerosols in urban centers are topics of significant environmental and public health concern. Recent studies have identified adjacent waterways, and especially polluted waterways, as an important source of microbial aerosols to urban air. The size of these aerosols influences how far they travel, their resistance to environmental stress, and their inhalation potential. In this study, we utilize a cascade impactor and aerosol particle monitor to characterize the size distribution of particles and culturable bacterial and fungal aerosols along the waterfront of a New York City embayment. We seek to address the potential contribution of bacterial aerosols from local sources and to determine how their number, size distribution, and taxonomic identity are affected by wind speed and wind direction (onshore vs. offshore. Total culturable microbial counts were higher under offshore winds (average of 778 CFU/m3 ± 67, with bacteria comprising the majority of colonies (58.5%, as compared to onshore winds (580 CFU/m3 ± 110 where fungi were dominant (87.7%. The majority of cultured bacteria and fungi sampled during both offshore winds (88% and onshore winds (72% were associated with coarse aerosols (>2.1 µm, indicative of production from local sources. There was a significant correlation (p < 0.05 of wind speed with both total and coarse culturable microbial aerosol concentrations. Taxonomic analysis, based on DNA sequencing, showed that Actinobacteria was the dominant phylum among aerosol isolates. In particular, Streptomyces and Bacillus, both spore forming genera that are often soil-associated, were abundant under both offshore and onshore wind conditions. Comparisons of bacterial communities present in the bioaerosol sequence libraries revealed that particle size played an important role in microbial aerosol taxonomy. Onshore and offshore coarse libraries were found to be most similar

  1. Physicochemical characteristics and occupational exposure to coarse, fine and ultrafine particles during building refurbishment activities

    Azarmi, Farhad; Kumar, Prashant, E-mail: p.kumar@surrey.ac.uk, E-mail: prashant.kumar@cantab.net; Mulheron, Mike [University of Surrey, Department of Civil and Environmental Engineering, Faculty of Engineering and Physical Sciences (United Kingdom); Colaux, Julien L.; Jeynes, Chris [University of Surrey, Faculty of Engineering and Physical Sciences, Ion Beam Centre (United Kingdom); Adhami, Siavash; Watts, John F. [University of Surrey, The Surface Analysis Laboratory, Faculty of Engineering and Physical Sciences (United Kingdom)

    2015-08-15

    Understanding of the emissions of coarse (PM{sub 10} ≤10 μm), fine (PM{sub 2.5} ≤2.5 μm) and ultrafine particles (UFP <100 nm) from refurbishment activities and their dispersion into the nearby environment is of primary importance for developing efficient risk assessment and management strategies in the construction and demolition industry. This study investigates the release, occupational exposure and physicochemical properties of particulate matter, including UFPs, from over 20 different refurbishment activities occurring at an operational building site. Particles were measured in the 5–10,000-nm-size range using a fast response differential mobility spectrometer and a GRIMM particle spectrometer for 55 h over 8 days. The UFPs were found to account for >90 % of the total particle number concentrations and <10 % of the total mass concentrations released during the recorded activities. The highest UFP concentrations were 4860, 740, 650 and 500 times above the background value during wall-chasing, drilling, cementing and general demolition activities, respectively. Scanning electron microscopy, X-ray photoelectron spectroscopy and ion beam analysis were used to identify physicochemical characteristics of particles and attribute them to probable sources considering the size and the nature of the particles. The results confirm that refurbishment activities produce significant levels (both number and mass) of airborne particles, indicating a need to develop appropriate regulations for the control of occupational exposure of operatives undertaking building refurbishment.

  2. High concentrations of coarse particles emitted from a cattle feeding operation

    N. Hiranuma

    2011-08-01

    Full Text Available Housing roughly 10 million head of cattle in the United States alone, open air cattle feedlots represent a significant but poorly constrained source of atmospheric particles. Here we present a comprehensive characterization of physical and chemical properties of particles emitted from a large representative cattle feedlot in the Southwest United States. In the summer of 2008, measurements and samplings were conducted at the upwind and downwind edges of the facility. A series of far-field measurements and samplings was also conducted 3.5 km north of the facility. Two instruments, a GRIMM Sequential Mobility Particle Sizer (SMPS and a GRIMM Portable Aerosol Spectrometer (PAS, were used to measure particle size distributions over the range of 0.01 to 25 μm diameter. Raman microspectroscopy was used to determine the chemical composition of particles on a single particle basis. Volume size distributions of dust were dominated by coarse mode particles. Twenty-four hour averaged concentrations of PM10 (particulate matter with a diameter of 10 μm or less were as high as 1200 μg m−3 during the campaign. The primary constituents of the particulate matter were carbonaceous materials, such as humic acid, water soluble organics, and less soluble fatty acids, including stearic acid and tristearin. A significant fraction of the organic particles was present in internal mixtures with salts. Basic characteristics such as size distribution and composition of agricultural aerosols were found to be different than the properties of those found in urban and semi-urban aerosols. Failing to account for such differences may lead to errors in estimates of aerosol effects on local air quality, visibility, and public health.

  3. High concentrations of coarse particles emitted from a cattle feeding operation

    Hiranuma, N.; Brooks, S. D.; Gramann, J.; Auvermann, B. W.

    2011-08-01

    Housing roughly 10 million head of cattle in the United States alone, open air cattle feedlots represent a significant but poorly constrained source of atmospheric particles. Here we present a comprehensive characterization of physical and chemical properties of particles emitted from a large representative cattle feedlot in the Southwest United States. In the summer of 2008, measurements and samplings were conducted at the upwind and downwind edges of the facility. A series of far-field measurements and samplings was also conducted 3.5 km north of the facility. Two instruments, a GRIMM Sequential Mobility Particle Sizer (SMPS) and a GRIMM Portable Aerosol Spectrometer (PAS), were used to measure particle size distributions over the range of 0.01 to 25 μm diameter. Raman microspectroscopy was used to determine the chemical composition of particles on a single particle basis. Volume size distributions of dust were dominated by coarse mode particles. Twenty-four hour averaged concentrations of PM10 (particulate matter with a diameter of 10 μm or less) were as high as 1200 μg m-3 during the campaign. The primary constituents of the particulate matter were carbonaceous materials, such as humic acid, water soluble organics, and less soluble fatty acids, including stearic acid and tristearin. A significant fraction of the organic particles was present in internal mixtures with salts. Basic characteristics such as size distribution and composition of agricultural aerosols were found to be different than the properties of those found in urban and semi-urban aerosols. Failing to account for such differences may lead to errors in estimates of aerosol effects on local air quality, visibility, and public health.

  4. Coarse and fine particles but nout ultrafine particles in urban air trigger hospital admission for asthma in children

    Iskander, A.; Andersen, Z.J.; Bønnelykke, K.

    2012-01-01

    .AimTo study whether short-term exposure to air pollution is associated with hospital admissions for asthma in children. It is hypothesised that (1) the association between asthma admissions and air pollution is stronger with UFPs than with coarse (PM(10)) and fine (PM(2.5)) particles, nitrogen oxides (NO...... association was found between hospital admissions for asthma in children aged 0-18 years and NO(x) (OR 1.11; 95% CI 1.05 to 1.17), NO(2) (1.10; 95% CI 1.04 to 1.16), PM(10) (1.07; 95% CI 1.03 to 1.12) and PM(2.5) (1.09; 95% CI 1.04 to 1.13); there was no association with UFPs. The association was stronger...

  5. COARSE-GRID SIMULATION OF REACTING AND NON-REACTING GAS-PARTICLE FLOWS

    Sankaran Sundaresan

    2004-03-01

    The principal goal of this project, funded under the ''DOE Vision 21 Virtual Demonstration Initiative'' is virtual demonstration of circulating fluidized bed performance. We had proposed a ''virtual demonstration tool'', which is based on the open-domain CFD code MFIX. The principal challenge funded through this grant is to devise and implement in this CFD code sound physical models for the rheological characteristics of the gas-particle mixtures. Within the past year, which was the third year of the project, we have made the following specific advances. (a) We have completed a study of the impact of sub-grid models of different levels of detail on the results obtained in coarse-grid simulations of gas-particle flow. (b) We have also completed a study of a model problem to understand the effect of wall friction, which was proved in our earlier work to be very important for stable operation of standpipes in a circulating fluidized bed circuit. These are described in a greater detail in this report.

  6. Simulating emission and chemical evolution of coarse sea-salt particles in the Community Multiscale Air Quality (CMAQ model

    J. T. Kelly

    2010-04-01

    Full Text Available Chemical processing of sea-salt particles in coastal environments significantly impacts concentrations of particle components and gas-phase species and has implications for human exposure to particulate matter and nitrogen deposition to sensitive ecosystems. Emission of sea-salt particles from the coastal surf zone is known to be elevated compared to that from the open ocean. Despite the importance of sea-salt emissions and chemical processing, the US EPA's Community Multiscale Air Quality (CMAQ model has traditionally treated coarse sea-salt particles as chemically inert and has not accounted for enhanced surf-zone emissions. In this article, updates to CMAQ are described that enhance sea-salt emissions from the coastal surf zone and allow dynamic transfer of HNO3, H2SO4, HCl, and NH3 between coarse particles and the gas phase. Predictions of updated CMAQ models and the previous release version, CMAQv4.6, are evaluated using observations from three coastal sites during the Bay Regional Atmospheric Chemistry Experiment (BRACE in Tampa, FL in May 2002. Model updates improve predictions of NO3, SO42−, NH4+, Na+, and Cl concentrations at these sites with only a 8% increase in run time. In particular, the chemically interactive coarse particle mode dramatically improves predictions of nitrate concentration and size distributions as well as the fraction of total nitrate in the particle phase. Also, the surf-zone emission parameterization improves predictions of total sodium and chloride concentration. Results of a separate study indicate that the model updates reduce the mean absolute error of nitrate predictions at coastal CASTNET and SEARCH sites in the eastern US. Although the new model features improve performance relative to CMAQv4.6, some persistent differences exist between observations and predictions

  7. Size distribution of chemical elements and their source apportionment in ambient coarse, fine, and ultrafine particles in Shanghai urban summer atmosphere.

    Lü, Senlin; Zhang, Rui; Yao, Zhenkun; Yi, Fei; Ren, Jingjing; Wu, Minghong; Feng, Man; Wang, Qingyue

    2012-01-01

    Ambient coarse particles (diameter 1.8-10 microm), fine particles (diameter 0.1-1.8 microm), and ultrafine particles (diameter Source apportionment of the chemical elements was analyzed by means of an enrichment factor method. Our results showed that the average mass concentrations of coarse particles, fine particles and ultrafine particles in the summer air were 9.38 +/- 2.18, 8.82 +/- 3.52, and 2.02 +/- 0.41 microg/m3, respectively. The mass percentage of the fine particles accounted for 51.47% in the total mass of PM10, indicating that fine particles are the major component in the Shanghai ambient particles. SEM/EDX results showed that the coarse particles were dominated by minerals, fine particles by soot aggregates and fly ashes, and ultrafine particles by soot particles and unidentified particles. SRXRF results demonstrated that crustal elements were mainly distributed in the coarse particles, while heavy metals were in higher proportions in the fine particles. Source apportionment revealed that Si, K, Ca, Fe, Mn, Rb, and Sr were from crustal sources, and S, Cl, Cu, Zn, As, Se, Br, and Pb from anthropogenic sources. Levels of P, V, Cr, and Ni in particles might be contributed from multi-sources, and need further investigation.

  8. Visualizing test on the pass-through and collision characteristics of coarse particles in a double blade pump

    Minggao Tan

    2018-01-01

    Full Text Available As the key equipment in deep ocean mining, the slurry pump suffers from wear and blocking problems. In this paper, high-speed photography technique is applied to track the movement rule of single particle of the coarse particle solid–liquid two-phase flow in a double blade slurry pump. The influences of particle diameter and particle density on the pass-through and collision characteristics of particles are analyzed as well. The results show that the average of the passing pump time first decreases and then increases when the particle diameter increases. The average of the passing pump time decreases by 22.7%, when the particle density increases from 1.09 g/cm3 to 1.75 g/cm3. Besides, the particle density has great influence on the location where the particle hits the tongue. Most particles of 1.09 g/cm3 hit the tongue on the left side, while collision location of particles of 1.75 g/cm3 is mainly on the top and at the right side of the tongue. The research can provide a basis for the optimization design of slurry pump in deep ocean mining system.

  9. Experimental investigation of coarse particles-water mixture flow in horizontal and inclined pipes

    Vlasák, Pavel; Chára, Zdeněk; Krupička, Jan; Konfršt, Jiří

    2014-01-01

    Roč. 62, č. 3 (2014), s. 241-247 ISSN 0042-790X R&D Projects: GA ČR GAP105/10/1574 Institutional support: RVO:67985874 Keywords : hydraulic pipelining * coarse-grained slurry * pressure drops * pipe inclination * concentration distribution Subject RIV: BK - Fluid Dynamics Impact factor: 1.486, year: 2014

  10. Characteristics of PM1.0, PM2.5, and PM10, and Their Relation to Black Carbon in Wuhan, Central China

    Wei Gong

    2015-09-01

    Full Text Available Hourly average monitoring data for mass concentrations of PM1, PM2.5, PM10, and black carbon (BC were measured in Wuhan from December 2013 to December 2014, which has a flourishing steel industry, to analyze the characteristics of PM and their relation to BC, using statistical methods. The results indicate that variations in the monthly average mass concentrations of PM have similar concave parabolic shapes, with the highest values occurring in January and the lowest values appearing in August or September. The correlation coefficient of the linear regression model between PM1 and PM2.5 is quite high, reaching 0.99. Furthermore, the proportion of PM1 contained within PM2.5 is roughly 90%, directly proving that ultrafine particles whose diameter less than 1 μm may be a primary component of PM2.5 in Wuhan. Additionally, better seasonal correlation between PM and BC occurs only in summer and autumn, due to multiple factors such as topography, temperature, and the atmosphere in winter and spring. Finally, analysis of the diurnal variation of PM and BC demonstrates that the traffic emissions during rush hour, exogenous pollutants, and the shallow PBLH with stagnant atmosphere, all contribute to the severe pollution of Wuhan in winter.

  11. Effect of daily temperature range on respiratory health in Argentina and its modification by impaired socio-economic conditions and PM_1_0 exposures

    Carreras, Hebe; Zanobetti, Antonella; Koutrakis, Petros

    2015-01-01

    Epidemiological investigations regarding temperature influence on human health have focused on mortality rather than morbidity. In addition, most information comes from developed countries despite the increasing evidence that climate change will have devastating impacts on disadvantaged populations living in developing countries. In the present study, we assessed the impact of daily temperature range on upper and lower respiratory infections in Cordoba, Argentina, and explored the effect modification of socio-economic factors and influence of airborne particles We found that temperature range is a strong risk factor for admissions due to both upper and lower respiratory infections, particularly in elderly individuals, and that these effects are more pronounced in sub-populations with low education level or in poor living conditions. These results indicate that socio-economic factors are strong modifiers of the association between temperature variability and respiratory morbidity, thus they should be considered in risk assessments. - Highlights: • Daily temperature range is a strong risk factor for respiratory infections. • Low education level and poor living conditions are strong modifiers of this relationship. • In Cordoba city higher risk for respiratory infections were observed during summertime. - Daily temperature range is a strong risk factor for respiratory infections, particularly for populations with low educational level or poor living conditions.

  12. Multilevel coarse graining and nano-pattern discovery in many particle stochastic systems

    Kalligiannaki, Evangelia; Katsoulakis, Markos A.; Plecháč, Petr; Vlachos, Dionisios G.

    2012-01-01

    In this work we propose a hierarchy of Markov chain Monte Carlo methods for sampling equilibrium properties of stochastic lattice systems with competing short and long range interactions. Each Monte Carlo step is composed by two or more sub-steps efficiently coupling coarse and finer state spaces. The method can be designed to sample the exact or controlled-error approximations of the target distribution, providing information on levels of different resolutions, as well as at the microscopic level. In both strategies the method achieves significant reduction of the computational cost compared to conventional Markov chain Monte Carlo methods. Applications in phase transition and pattern formation problems confirm the efficiency of the proposed methods.

  13. REGIONAL DEPOSITION OF COARSE PARTICLES AND VENTILATION DISTRIBUTION IN PATIENTS WITH CYSTIC FIBROSIS

    The efficacy of inhaled pharmaceuticals depends, in part, on their site of respiratory deposition. Markedly nonuniform ventilation distribution may occur in persons with obstructive airways diseases and may affect particle deposition. We studied the relationship between regional ...

  14. Formation of coarse Al13Fe4 particles and their effects in an RS/PM Al-Fe-V-Si alloy

    Lee, Sunghak; Lee, D.Y.; Ahn, Sangho.

    1991-01-01

    The present paper analyzed the fracture behavior of an RS/PM Al-Fe-V-Si alloy after high temperature exposure, in particular the effects of coarse Al13Fe4 particles formed during the exposure at 480 C. In situ SEM observations of crack opening processes found that brittle cleavage fracture occurred at these coarse Al13Fe4 particles, leading to the reduction in strength, fracture toughness, and ductility of the Al-Fe-V-Si alloy exposed to high temperatures. The results of fracture toughness were also interpreted using a simplified ductile fracture initiation model based on a basic assumption that crack extension starts to occur at a certain critical strain over a microstructurally significant critical distance. This model correlates microstructure to fracture toughness, confirming that the presence of coarse Al13Fe4 particles is the main metallurgical factor for the embrittlement phenomenon in the Al-Fe-V-Si alloy after high temperature exposure. 12 refs

  15. The Effects of Coarse Particles on Daily Mortality: A Case-Crossover Study in a Subtropical City, Taipei, Taiwan

    Meng-Hsuan Cheng

    2016-03-01

    Full Text Available Many studies have examined the effects of air pollution on daily mortality over the past two decades. However, information on the relationship between levels of coarse particles (PM2.5–10 and daily mortality is relatively sparse due to the limited availability of monitoring data. Furthermore, the results are inconsistent. In the current study, the association between coarse particle levels and daily mortality in Taipei, Taiwan’s largest city, which has a subtropical climate, was undertaken for the period 2006–2008 using a time-stratified case-crossover analysis. For the single pollutant model (without adjustment for other pollutants, PM2.5–10 showed statistically significant association with total mortality both on warm and cool days, with an interquartile range increase associated with a 11% (95% CI = 6%–17% and 4% (95% CI = 1%–7% rise in number of total deaths, respectively. In two-pollutant models, PM2.5–10 remained significant effects on total mortality after the inclusion of SO2 and O3 both on warm and cool days. We observed no significant associations between PM2.5–10 and daily mortality from respiratory diseases both on warm and cool days. For daily mortality from circulatory diseases, the effect of PM2.5–10 remained significant when SO2 or O3 was added in the regression model both on warm and cool days. Future studies of this type in cities with varying climates and cultures are needed.

  16. Study of nitro-polycyclic aromatic hydrocarbons in fine and coarse atmospheric particles

    Teixeira, Elba Calesso; Garcia, Karine Oliveira; Meincke, Larissa; Leal, Karen Alam

    2011-08-01

    The purpose of the present study was to evaluate six nitro-polycyclic aromatic hydrocarbons (NPAHs) in fine (MAPA), RS, Brazil. The method used was of NPAHs isolation and derivatization, and subsequent gas chromatography by electron capture detection (CG/ECD). Results revealed a higher concentration of NPAHs, especially 3-nitrofluoranthene and 1-nitropyrene, in fine particles in the sampling sites studied within the MAPA. The diagnostic ratios calculated for PAHs and NPAHs identified the influence of heavy traffic, mainly of diesel emissions. The correlation of NPAHs with other pollutants (NO x, NO 2, NO and O 3) evidence the influence of vehicular emissions in the MAPA. The seasonal variation evidenced higher NPAHs concentrations in the fine particles during winter for most compounds studied.

  17. Experimental study of single-phase pressure drops in coarse particle beds

    Clavier, R., E-mail: remi.clavier@irsn.fr [IRSN Cadarache, Saint Paul-lez-Durance (France); Chikhi, N., E-mail: nourdine.chikhi@irsn.fr [IRSN Cadarache, Saint Paul-lez-Durance (France); Fichot, F., E-mail: florian.fichot@irsn.fr [IRSN Cadarache, Saint Paul-lez-Durance (France); Quintard, M., E-mail: Michel.Quintard@imft.fr [Université de Toulouse, Allée Camille Soula, F-31400 Toulouse (France); INPT, UPS, Allée Camille Soula, F-31400 Toulouse (France); IMFT (Institut de Mécanique des Fluides de Toulouse), Allée Camille Soula, F-31400 Toulouse (France); CNRS, F-31400 Toulouse (France)

    2017-02-15

    Motivated by uncertainty reduction in nuclear debris beds coolability, experiments have been conducted on the CALIDE facility in order to investigate single-phase pressure losses in representative debris beds, i.e., high sphericity (>80%) particle beds with small size dispersion (from 1 mm to 10 mm), for which no validated model exists. In this paper, experimental results are presented and analyzed in order to identify a simple correlation for single-phase flow pressure losses generated in this kind of porous media in reflooding flowing conditions, which cover Darcy to weakly turbulent regimes. In the literature, it has been observed that their behavior can be accurately described by a Darcy–Forchheimer law, involving the sum of a linear term and a quadratic non-linear deviation, with respect to the filtration velocity. Expressions for the coefficients of the linear and quadratic terms are determined by assessing the possibility to evaluate equivalent diameters, i.e., characteristic lengths allowing correct predictions of the linear and quadratic terms by the Ergun equation. It has been observed that the Sauter diameter of particles allows a very precise prediction of the linear term, while the quadratic term can be predicted using the product of the Sauter diameter and a sphericity coefficient as an equivalent diameter.

  18. Influences of fireworks on chemical characteristics of atmospheric fine and coarse particles during Taiwan's Lantern Festival

    Tsai, Hsieh-Hung; Chien, Li-Hsing; Yuan, Chung-Shin; Lin, Yuan-Chung; Jen, Yi-Hsiu; Ie, Iau-Ren

    2012-12-01

    In recent years, the celebration activities of various folk-custom festivals have been getting more and more attention from the citizens in Taiwan. Festivities throughout the whole island are traditionally accompanied by loud and brightly colored firework displays. Among these activities, the firework displays during Taiwan's Lantern Festival in Kaohsiung harbor is one of the largest festivals in Taiwan each year. Therefore, it is of importance to investigate the influence of fireworks displays on the ambient air quality during the Taiwan's Lantern Festival. Field measurements of atmospheric particulate matter (PM) were conducted on February 9th-11th, 2009 during Taiwan's Lantern Festival in Kaohsiung City. Moreover, three kinds of fireworks powders obtained from the same manufacturing factory producing Kaohsiung Lantern Festival fireworks were burned in a self-designed combustion chamber to determine the physicochemical properties of the fireworks' particles and to establish the source profile of firework burning. Several metallic elements of PM during the firework display periods were notably higher than those during the non-firework periods. The concentrations of Mg, K, Pb, and Sr in PM2.5 during the firework periods were 10 times higher than those during the non-firework periods. Additionally, the Cl-/Na+ ratio was approximately 3 during the firework display periods as Cl- came from the chlorine content of the firework powder. Moreover, the OC/EC ratio increased up to 2.8. Results obtained from PCA and CMB receptor modeling showed that major sources of atmospheric particles during the firework display periods in Kaohsiung harbor were fireworks, vehicular exhausts, soil dusts and marine sprays. Particularly, on February 10th, the firework displays contributed approximately 25.2% and 16.6% of PM10 at two downwind sampling sites, respectively.

  19. PIXE identification of fine and coarse particles of aerosol samples and their distribution across Beirut

    Roumie, M., E-mail: mroumie@cnrs.edu.lb [Accelerator Laboratory, Lebanese Atomic Energy Commission, National Council for Scientific Research, P.O. Box 11-8281, Beirut (Lebanon); Saliba, N., E-mail: ns30@aub.edu.lb [Department of Chemistry, Faculty of Arts and Sciences, American University of Beirut, Beirut (Lebanon); Nsouli, B., E-mail: bnsouli@cnrs.edu.lb [Accelerator Laboratory, Lebanese Atomic Energy Commission, National Council for Scientific Research, P.O. Box 11-8281, Beirut (Lebanon); Younes, M., E-mail: myriam_younis@hotmail.com [Accelerator Laboratory, Lebanese Atomic Energy Commission, National Council for Scientific Research, P.O. Box 11-8281, Beirut (Lebanon); Noun, M., E-mail: manale_noun@hotmail.com [Accelerator Laboratory, Lebanese Atomic Energy Commission, National Council for Scientific Research, P.O. Box 11-8281, Beirut (Lebanon); Massoud, R., E-mail: rm84@aub.edu.lb [Department of Chemistry, Faculty of Arts and Sciences, American University of Beirut, Beirut (Lebanon)

    2011-12-15

    This study is the first national attempt to assess the levels of PMs in Beirut city and consequently understand air pollution distribution. Aerosol sampling was carried out using three PM{sub 10} and three PM{sub 2.5} samplers which were installed at three locations lying along the SE-NW direction over Beirut. The sampling of PM{sub 10} and PM{sub 2.5} was done during a period extending from May till December 2009. The random collection of the particles (1 in 6 days) was carried out on Teflon filters, for a period of 24-h. The elemental analysis of particulate matter was performed using proton induced X-ray emission technique PIXE at the Lebanese 1.7 MV Tandem-Pelletron accelerator of Beirut. Na, Mg, Al, Si, P, S and Cl were quantified using 1 MeV proton beam, while K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn and Pb were determined using 3 MeV-energy of proton beam.

  20. Coupling a nano-particle with isothermal fluctuating hydrodynamics: Coarse-graining from microscopic to mesoscopic dynamics

    Español, Pep [Dept. Física Fundamental, Universidad Nacional de Educación a Distancia, Aptdo. 60141, E-28080 Madrid (Spain); Donev, Aleksandar [Dept. Física Fundamental, Universidad Nacional de Educación a Distancia, Aptdo. 60141, E-28080 Madrid (Spain); Courant Institute of Mathematical Sciences, New York University, 251 Mercer Street, New York, New York 10012 (United States)

    2015-12-21

    We derive a coarse-grained description of the dynamics of a nanoparticle immersed in an isothermal simple fluid by performing a systematic coarse graining of the underlying microscopic dynamics. As coarse-grained or relevant variables, we select the position of the nanoparticle and the total mass and momentum density field of the fluid, which are locally conserved slow variables because they are defined to include the contribution of the nanoparticle. The theory of coarse graining based on the Zwanzing projection operator leads us to a system of stochastic ordinary differential equations that are closed in the relevant variables. We demonstrate that our discrete coarse-grained equations are consistent with a Petrov-Galerkin finite-element discretization of a system of formal stochastic partial differential equations which resemble previously used phenomenological models based on fluctuating hydrodynamics. Key to this connection between our “bottom-up” and previous “top-down” approaches is the use of the same dual orthogonal set of linear basis functions familiar from finite element methods (FEMs), both as a way to coarse-grain the microscopic degrees of freedom and as a way to discretize the equations of fluctuating hydrodynamics. Another key ingredient is the use of a “linear for spiky” weak approximation which replaces microscopic “fields” with a linear FE interpolant inside expectation values. For the irreversible or dissipative dynamics, we approximate the constrained Green-Kubo expressions for the dissipation coefficients with their equilibrium averages. Under suitable approximations, we obtain closed approximations of the coarse-grained dynamics in a manner which gives them a clear physical interpretation and provides explicit microscopic expressions for all of the coefficients appearing in the closure. Our work leads to a model for dilute nanocolloidal suspensions that can be simulated effectively using feasibly short molecular dynamics

  1. Use of Computed Tomography Imaging for Qualifying Coarse Roots, Rhizomes, Peat, and Particle Densities in Marsh Soils

    Computed tomography (CT) imaging has been used to describe and quantify subtidal, benthic animals such as polychaetes, amphipods, and shrimp. Here, for the first time, CT imaging is used to successfully quantify wet mass of coarse roots, rhizomes, and peat in cores collected from...

  2. Use of Computer-Aided Tomography (CT) Imaging for Quantifying Coarse Roots, Rhizomes, Peat, and Particle Densities in Marsh Soils

    Computer-aided Tomography (CT) imaging was utilized to quantify wet mass of coarse roots, rhizomes, and peat in cores collected from organic-rich (Jamaica Bay, NY) and mineral (North Inlet, SC) Spartina alterniflora soils. Calibration rods composed of materials with standard dens...

  3. Feasibility of using low-cost portable particle monitors for measurement of fine and coarse particulate matter in urban ambient air.

    Han, Inkyu; Symanski, Elaine; Stock, Thomas H

    2017-03-01

    Exposure to ambient particulate matter (PM) is known as a significant risk factor for mortality and morbidity due to cardiorespiratory causes. Owing to increased interest in assessing personal and community exposures to PM, we evaluated the feasibility of employing a low-cost portable direct-reading instrument for measurement of ambient air PM exposure. A Dylos DC 1700 PM sensor was collocated with a Grimm 11-R in an urban residential area of Houston Texas. The 1-min averages of particle number concentrations for sizes between 0.5 and 2.5 µm (small size) and sizes larger than 2.5 µm (large size) from a DC 1700 were compared with the 1-min averages of PM 2.5 (aerodynamic size less than 2.5 µm) and coarse PM (aerodynamic size between 2.5 and 10 µm) concentrations from a Grimm 11-R. We used a linear regression equation to convert DC 1700 number concentrations to mass concentrations, utilizing measurements from the Grimm 11-R. The estimated average DC 1700 PM 2.5 concentration (13.2 ± 13.7 µg/m 3 ) was similar to the average measured Grimm 11-R PM 2.5 concentration (11.3 ± 15.1 µg/m 3 ). The overall correlation (r 2 ) for PM 2.5 between the DC 1700 and Grimm 11-R was 0.778. The estimated average coarse PM concentration from the DC 1700 (5.6 ± 12.1 µg/m 3 ) was also similar to that measured with the Grimm 11-R (4.8 ± 16.5 µg/m 3 ) with an r 2 of 0.481. The effects of relative humidity and particle size on the association between the DC 1700 and the Grimm 11-R results were also examined. The calculated PM mass concentrations from the DC 1700 were close to those measured with the Grimm 11-R when relative humidity was less than 60% for both PM 2.5 and coarse PM. Particle size distribution was more important for the association of coarse PM between the DC 1700 and Grimm 11-R than it was for PM 2.5 . The performance of a low-cost particulate matter (PM) sensor was evaluated in an urban residential area. Both PM 2.5 and coarse PM (PM 10-2.5 ) mass concentrations

  4. Water-soluble ions in nano/ultrafine/fine/coarse particles collected near a busy road and at a rural site

    Lin, C.-C.; Chen, S.-J.; Huang, K.-L.; Lee, W.-J.; Lin, W.-Y.; Liao, C.-J.; Chaung, H.-C.; Chiu, C.-H.

    2007-01-01

    This study investigated water-soluble ions in the sized particles (particularly nano (PM 0.01-0.056 )/ultrafine (PM 0.01-0.1 )) collected using MOUDI and Nano-MOUDI samplers near a busy road site and at a rural site. The analytical results demonstrate that nano and coarse particles exhibited the highest (16.3%) and lowest (8.37%) nitrate mass ratios, respectively. The mass ratio of NO 3 - was higher than that of SO 4 2- in all the sized particles at the traffic site. The secondary aerosols all displayed trimodal distributions. The aerosols in ultrafine particles collected at the roadside site exhibited Aitken mode distributions indicating they were of local origin. This finding was not observed for those ultrafine particles collected at the rural site. The mass median diameters (MMDs) of the nano, ultrafine, and fine particles were smaller at the traffic site than at the rural site, possibly related to the contribution of mobile engine emissions. - NO 3 - > SO 4 2- in mass ratio, different from common observations in rural areas, was found in (particularly the nano) traffic-associated particles

  5. An evaluation of the impact of flooring types on exposures to fine and coarse particles within the residential micro-environment using CONTAM.

    Bramwell, Lisa; Qian, Jing; Howard-Reed, Cynthia; Mondal, Sumona; Ferro, Andrea R

    2016-01-01

    Typical resuspension activities within the home, such as walking, have been estimated to contribute up to 25% of personal exposures to PM10. Chamber studies have shown that for moderate walking intensities, flooring type can impact the rate at which particles are re-entrained into the air. For this study, the impact of residential flooring type on incremental average daily (24 h) time-averaged exposure was investigated. Distributions of incremental time-averaged daily exposures to fine and coarse PM while walking within the residential micro-environment were predicted using CONTAM, the multizone airflow and contaminant transport program of the National Institute of Standards and Technology. Knowledge of when and where a person was walking was determined by randomly selecting 490 daily diaries from the EPA's consolidated human activity database (CHAD). On the basis of the results of this study, residential flooring type can significantly impact incremental time-averaged daily exposures to coarse and fine particles (α=0.05, P<0.05, N=490, Kruskal-Wallis test) with high-density cut pile carpeting resulting in the highest exposures. From this study, resuspension from walking within the residential micro-environment contributed 6-72% of time-averaged daily exposures to PM10.

  6. Short-term Associations between Fine and Coarse Particulate Matter and Hospitalizations in Southern Europe: Results from the MED-PARTICLES Project

    Samoli, Evangelia; Alessandrini, Ester; Cadum, Ennio; Ostro, Bart; Berti, Giovanna; Faustini, Annunziata; Jacquemin, Benedicte; Linares, Cristina; Pascal, Mathilde; Randi, Giorgia; Ranzi, Andrea; Stivanello, Elisa; Forastiere, Francesco

    2013-01-01

    Background: Evidence on the short-term effects of fine and coarse particles on morbidity in Europe is scarce and inconsistent. Objectives: We aimed to estimate the association between daily concentrations of fine and coarse particles with hospitalizations for cardiovascular and respiratory conditions in eight Southern European cities, within the MED-PARTICLES project. Methods: City-specific Poisson models were fitted to estimate associations of daily concentrations of particulate matter with aerodynamic diameter ≤ 2.5 μm (PM2.5), ≤ 10 μm (PM10), and their difference (PM2.5–10) with daily counts of emergency hospitalizations for cardiovascular and respiratory diseases. We derived pooled estimates from random-effects meta-analysis and evaluated the robustness of results to co-pollutant exposure adjustment and model specification. Pooled concentration–response curves were estimated using a meta-smoothing approach. Results: We found significant associations between all PM fractions and cardiovascular admissions. Increases of 10 μg/m3 in PM2.5, 6.3 μg/m3 in PM2.5–10, and 14.4 μg/m3 in PM10 (lag 0–1 days) were associated with increases in cardiovascular admissions of 0.51% (95% CI: 0.12, 0.90%), 0.46% (95% CI: 0.10, 0.82%), and 0.53% (95% CI: 0.06, 1.00%), respectively. Stronger associations were estimated for respiratory hospitalizations, ranging from 1.15% (95% CI: 0.21, 2.11%) for PM10 to 1.36% (95% CI: 0.23, 2.49) for PM2.5 (lag 0–5 days). Conclusions: PM2.5 and PM2.5–10 were positively associated with cardiovascular and respiratory admissions in eight Mediterranean cities. Information on the short-term effects of different PM fractions on morbidity in Southern Europe will be useful to inform European policies on air quality standards. Citation: Stafoggia M, Samoli E, Alessandrini E, Cadum E, Ostro B, Berti G, Faustini A, Jacquemin B, Linares C, Pascal M, Randi G, Ranzi A, Stivanello E, Forastiere F, the MED-PARTICLES Study Group. 2013. Short

  7. Simulating emission and chemical evolution of coarse sea-salt particles in the Community Multiscale Air Quality (CMAQ) model

    J. T. Kelly; P. V. Bhave; C. G. Nolte; U. Shankar; K. M. Foley

    2009-01-01

    Chemical processing of sea-salt particles in coastal environments significantly impacts concentrations of particle components and gas-phase species and has implications for human exposure to particulate matter and nitrogen deposition to sensitive ecosystems. Emission of sea-salt particles from the coastal surf zone is known to be elevated compared to that from the open ocean. Despite the importance of sea-salt emissions and chemical processing, the US EPA's Community Multiscale Air Quality (C...

  8. The effect of coarse second-phase particles on the rate of grain refinement during severe deformation processing

    Apps, P.J.; Bowen, Jacob R.; Prangnell, P.B.

    2003-01-01

    The effect of second-phase particles on the rate of grain refinement during severe deformation processing has been investigated, by comparing the microstructure evolution in an AA8079 aluminium alloy, containing 2.5 vol.% of ~2 μm particles, with that in a high purity, single-phase, Al-0.13% Mg a...... by an effective strain of only five in the particle-containing alloy, compared to ten in the single-phase material. The mechanisms that contribute to this acceleration of the grain refinement process are discussed.......The effect of second-phase particles on the rate of grain refinement during severe deformation processing has been investigated, by comparing the microstructure evolution in an AA8079 aluminium alloy, containing 2.5 vol.% of ~2 μm particles, with that in a high purity, single-phase, Al-0.13% Mg...... alloy, deformed identically by ECAE to an effective strain of ten. The materials were analysed by high-resolution EBSD orientation mapping, which revealed that grain refinement occurred at a dramatically higher rate in the particle-containing alloy. A submicron grain structure could be achieved...

  9. Vertical profiles of fine and coarse aerosol particles over Cyprus: Comparison between in-situ drone measurements and remote sensing observations

    Mamali, Dimitra; Marinou, Eleni; Pikridas, Michael; Kottas, Michael; Binietoglou, Ioannis; Kokkalis, Panagiotis; Tsekeri, Aleksandra; Amiridis, Vasilis; Sciare, Jean; Keleshis, Christos; Engelmann, Ronny; Ansmann, Albert; Russchenberg, Herman W. J.; Biskos, George

    2017-04-01

    Vertical profiles of the aerosol mass concentration derived from light detection and ranging (lidar) measurements were compared to airborne dried optical particle counter (OPC MetOne; Model 212) measurements during the INUIT-BACCHUS-ACTRIS campaign. The campaign took place in April 2016 and its main focus was the study of aerosol dust particles. During the campaign the NOA Polly-XT Raman lidar located at Nicosia (35.08° N, 33.22° E) was providing round-the-clock vertical profiles of aerosol optical properties. In addition, an unmanned aerial vehicle (UAV) carrying an OPC flew on 7 days during the first morning hours. The flights were performed at Orounda (35.1018° N, 33.0944° E) reaching altitudes of 2.5 km a.s.l, which allows comparison with a good fraction of the recorded lidar data. The polarization lidar photometer networking method (POLIPHON) was used for the estimation of the fine (non-dust) and coarse (dust) mode aerosol mass concentration profiles. This method uses as input the particle backscatter coefficient and the particle depolarization profiles of the lidar at 532 nm wavelength and derives the aerosol mass concentration. The first step in this approach makes use of the lidar observations to separate the backscatter and extinction contributions of the weakly depolarizing non-dust aerosol components from the contributions of the strongly depolarizing dust particles, under the assumption of an externally mixed two-component aerosol. In the second step, sun photometer retrievals of the fine and the coarse modes aerosol optical thickness (AOT) and volume concentration are used to calculate the associated concentrations from the extinction coefficients retrieved from the lidar. The estimated aerosol volume concentrations were converted into mass concentration with an assumption for the bulk aerosol density, and compared with the OPC measurements. The first results show agreement within the experimental uncertainty. This project received funding from the

  10. Individual particle analysis of coarse air suspended particulate material by synchrotron radiation X-ray micro fluorescence

    Moreira, Silvana; Melo Junior, Ariston; Vives, Ana Elisa S. de; Nascimento Filho, Virgilio F.

    2005-01-01

    The purpose of this work is evaluate the size of individual particles present in the air suspended particulate material collected in Campinas, Sao Paulo State, and analyze quantitatively the particles using the synchrotron radiation X-ray micro fluorescence (μ-SRXRF) associated with the fundamental parameter method to correct attenuation/absorption effects by the matrix. The particles analyzed have size between 50-10 μm and to perform the spatial distribution a white beam of synchrotron radiation condensed by a conical capillary (13 μm diameter) was used. For the quantitative analysis punctual measures in thin films standards in Mylar subtract were performed. The elements detected were Si, S, Cl, K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn, Ba and Pb. (author)

  11. Individual particle analysis of coarse air suspended particulate material by synchrotron radiation X-ray micro fluorescence

    Moreira, Silvana; Melo Junior, Ariston [Universidade Estadual de Campinas, SP (Brazil). Faculdade de Engenharia Civil, Arquitetura e Urbanismo. Dept. de Recursos Hidricos]. E-mail: silvana@fec.unicamp.br; Perez, Carlos Alberto [Laboratorio Nacional de Luz Sincrotron (LNLS), Campinas, SP (Brazil)]. E-mail: perez@lnls.br; Vives, Ana Elisa S. de [Universidade Metodista de Piracicaba (UNIMEP), Santa Barbara D' Oeste, SP (Brazil). Faculdade de Engenharia, Arquitetura e Urbanismo]. E-mail: aesvives@unimep.br; Nascimento Filho, Virgilio F. [Centro de Energia Nuclear na Agricultura (CENA), Piracicaba, SP (Brazil). Lab. de Instrumentacao Nuclear]. E-mail: virgilio@cena.usp.br

    2005-07-01

    The purpose of this work is evaluate the size of individual particles present in the air suspended particulate material collected in Campinas, Sao Paulo State, and analyze quantitatively the particles using the synchrotron radiation X-ray micro fluorescence ({mu}-SRXRF) associated with the fundamental parameter method to correct attenuation/absorption effects by the matrix. The particles analyzed have size between 50-10 {mu}m and to perform the spatial distribution a white beam of synchrotron radiation condensed by a conical capillary (13 {mu}m diameter) was used. For the quantitative analysis punctual measures in thin films standards in Mylar subtract were performed. The elements detected were Si, S, Cl, K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn, Ba and Pb. (author)

  12. Dietary sugarcane bagasse and coarse particle size of corn are beneficial to performance and gizzard development in broilers fed normal and high sodium diets.

    Kheravii, S K; Swick, R A; Choct, M; Wu, Shu-Biao

    2017-09-01

    An experiment was conducted to evaluate the effects of sugarcane bagasse (SB) and particle size on broiler performance, gizzard development, ileal microflora, litter quality, and bird welfare under a wet litter challenge model. A total of 672 one-day-old Ross 308 male broilers was allocated to 48 pens using a 2 × 2 × 2 factorial arrangement of treatments with corn particle size-coarse 3,576 μm (CC) or fine 1,113 μm (FC) geometric mean diameter, SB - 0 or 2% and sodium (Na) - 0.16 or 0.40% with increased Na level to induce wet litter. A 3-way particle size × Na × SB interaction (P litter quality and bird welfare were observed, but higher Na increased litter moisture and footpad dermatitis (FPD) scores (P < 0.001). These findings suggest that SB independently or in combination with CC improves performance in older birds regardless of Na level in diets, possibly through improved gizzard development and gut microflora of birds. © 2017 Poultry Science Association Inc.

  13. Deposition velocities to Sorbus aria, Acer campestre, Populus deltoides x trichocarpa 'Beaupre', Pinus nigra and x Cupressocyparis leylandii for coarse, fine and ultra-fine particles in the urban environment

    Freer-Smith, P.H.; Beckett, K.P.; Taylor, Gail

    2005-01-01

    Trees are effective in the capture of particles from urban air to the extent that they can significantly improve urban air quality. As a result of their aerodynamic properties conifers, with their smaller leaves and more complex shoot structures, have been shown to capture larger amounts of particle matter than broadleaved trees. This study focuses on the effects of particle size on the deposition velocity of particles (Vg) to five urban tree species (coniferous and broadleaved) measured at two field sites, one urban and polluted and a second more rural. The larger uptake to conifers is confirmed, and for broadleaves and conifers Vg values are shown to be greater for ultra-fine particles (Dp<1.0 μm) than for fine and coarse particles. This is important since finer particles are more likely to be deposited deep in the alveoli of the human lung causing adverse health effects. The finer particle fraction is also shown to be transported further from the emission source; in this study a busy urban road. In further sets of data the aqueous soluble and insoluble fractions of the ultra-fines were separated, indicating that aqueous insoluble particles made up only a small proportion of the ultra-fines. Much of the ultra-fine fraction is present as aerosol. Chemical analysis of the aqueous soluble fractions of coarse, fine and ultra-fine particles showed the importance of nitrates, chloride and phosphates in all three size categories at the polluted and more rural location

  14. Effects of feed form and dietary coarse ground corn on broiler live performance, body weight uniformity, relative gizzard weight, excreta nitrogen, and particle size preference behaviors.

    Xu, Y; Stark, C R; Ferket, P R; Williams, C M; Brake, J

    2015-07-01

    In this 14-d cage study, the effects of feed form (mash and crumble) and 6 coarse ground corn ( CC: ) inclusions [0, 10, 20, 30, 40, and 50% CC that replaced fine corn ( FC: )] on broiler live performance, BW uniformity, gizzard weight, excreta nitrogen, and particle size preference were investigated. The geometric mean diameter by mass ( DGW: ) of mash diets increased from 422 μm to 431, 471, 509, 542, and 640 μm, respectively, as the percentage of CC increased. Feed intake and BW were decreased by CC and mash at 7 d. Interactions between feed form and CC were observed for feed conversion ratio ( FCR: ) at 7 d of age (P nitrogen was increased (P < 0.01) by crumble diets. These data demonstrated that pelleting and crumbling reduced the impact of CC, produced a more consistent feed intake, and reduced selective feeding, and that CC stimulated gizzard weight in a linear manner in mash diets. © 2015 Poultry Science Association Inc.

  15. An advanced coarse-grained nucleosome core particle model for computer simulations of nucleosome-nucleosome interactions under varying ionic conditions.

    Yanping Fan

    Full Text Available In the eukaryotic cell nucleus, DNA exists as chromatin, a compact but dynamic complex with histone proteins. The first level of DNA organization is the linear array of nucleosome core particles (NCPs. The NCP is a well-defined complex of 147 bp DNA with an octamer of histones. Interactions between NCPs are of paramount importance for higher levels of chromatin compaction. The polyelectrolyte nature of the NCP implies that nucleosome-nucleosome interactions must exhibit a great influence from both the ionic environment as well as the positively charged and highly flexible N-terminal histone tails, protruding out from the NCP. The large size of the system precludes a modelling analysis of chromatin at an all-atom level and calls for coarse-grained approximations. Here, a model of the NCP that include the globular histone core and the flexible histone tails described by one particle per each amino acid and taking into account their net charge is proposed. DNA wrapped around the histone core was approximated at the level of two base pairs represented by one bead (bases and sugar plus four beads of charged phosphate groups. Computer simulations, using a Langevin thermostat, in a dielectric continuum with explicit monovalent (K(+, divalent (Mg(2+ or trivalent (Co(NH(3(6 (3+ cations were performed for systems with one or ten NCPs. Increase of the counterion charge results in a switch from repulsive NCP-NCP interaction in the presence of K(+, to partial aggregation with Mg(2+ and to strong mutual attraction of all 10 NCPs in the presence of CoHex(3+. The new model reproduced experimental results and the structure of the NCP-NCP contacts is in agreement with available data. Cation screening, ion-ion correlations and tail bridging contribute to the NCP-NCP attraction and the new NCP model accounts for these interactions.

  16. Source identification and seasonal variation of polycyclic aromatic hydrocarbons associated with atmospheric fine and coarse particles in the Metropolitan Area of Porto Alegre, RS, Brazil

    Teixeira, Elba Calesso; Agudelo-Castañeda, Dayana M.; Fachel, Jandyra Maria Guimarães; Leal, Karen Alam; Garcia, Karine de Oliveira; Wiegand, Flavio

    2012-11-01

    The purpose of the present study was to evaluate the polycyclic aromatic hydrocarbons (PAHs) in fine (PM2.5) and coarse particles (PM2.5-10) in an urban and industrial area in the Metropolitan Area of Porto Alegre (MAPA), Brazil. Sixteen U.S. Environmental Protection Agency (EPA) priority polycyclic aromatic hydrocarbons (PAHs) were measured. Filters containing ambient air particulate were extracted with dichloromethane using Soxhlet. Extracts were later analyzed, for determining PAH concentrations, using a gaseous chromatograph coupled with a mass spectrometer (GC-MS). The polycyclic aromatic hydrocarbons (PAHs) were more concentrated in PM2.5 with an average of 70% of total PAHs in the MAPA. The target PAH apportionment among the main emission sources was carried out by diagnostic PAH concentration ratios, and principal component analysis (PCA). PAHs with higher molecular weight showed higher percentages in the fine particles in the MAPA. Based on the diagnostic ratios and PCA analysis, it may be concluded that the major contribution of PAHs was from vehicular sources (diesel and gasoline), especially in the PM2.5 fraction, as well as coal and wood burning. The winter/summer ratio in the PM2.5 and PM2.5-10 fractions in the MAPA was 3.1 and 1.8, respectively, revealing the seasonal variation of PAHs in the two fractions. The estimated toxicity equivalent factor (TEF), used to assess the contribution of the carcinogenic potency, confirms a significant presence of the moderately active carcinogenic PAHs BaP and DahA in the samples collected in the MAPA.

  17. Effects of chlorine and sulphur on particle formation in wood combustion performed in a laboratory scale reactor

    Olli Sippula; Terttaliisa Lind; Jorma Jokiniemi [University of Kuopio, Kuopio (Finland). Fine Particle and Aerosol Technology Laboratory, Department of Environmental Sciences

    2008-09-15

    Fine particle formation in wood combustion was studied in a laboratory scale laminar flow reactor at various flue gas chlorine and sulphur concentrations. Aerosol samples were quenched at around 850{sup o}C using a porous tube diluter. Fine particle number concentrations, mass concentrations, size distributions and chemical compositions were measured. In addition, flue gas composition, including SO{sub 2} and HCl, was monitored. Experimental results were interpreted by thermodynamic equilibrium calculations. Addition of HCl clearly raised fine particle mass concentration (PM1.0) which was because of increased release of ash-forming material to fine particles. Especially the release of K, Na, Zn and Cd to fine particles increased. These species form chlorides which apparently increases their volatilization from the fuel. When a sufficient amount of SO{sub 2} was supplied in a chlorine rich combustion (S/Cl molar ratio from 4.7 to 7.5), most of the HCl stayed in the gas phase, release of ash-forming elements decreased and also fine particle concentrations dropped significantly. The sulphation of alkali metals is suggested to play a key role in the observed decrease in the fine particle concentration. It seems that the formation of sulphates leads to alkali metal retention in the coarse particle fraction. 27 refs., 11 figs., 1 tab.

  18. Effect of dietary coarsely ground corn on broiler live performance, gastrointestinal tract development, apparent ileal digestibility of energy and nitrogen, and digesta particle size distribution and retention time.

    Xu, Y; Stark, C R; Ferket, P R; Williams, C M; Pacheco, W J; Brake, J

    2015-01-01

    Dietary structural material has been reported to improve broiler live performance and gastrointestinal tract (GIT) function. In this 50 d cage study, the effects of coarsely ground corn (CC) inclusion on broiler live performance, GIT development, apparent ileal digestibility (AID) of energy and nitrogen (N), and digesta particle size distribution and retention time were investigated. This study included 3 CC inclusions (0, 25, and 50% fine corn [FC] replaced by CC), with 6 replicate cages of 10 birds per treatment. The feed conversion ratio (FCR) at 35 and 42 d was improved (P<0.01) as the dietary inclusion of CC increased without effect on feed intake. The 50% CC diet increased absolute and relative gizzard weight at 42 d of age as compared to diets with 0 and 25% CC (P<0.01). Dietary CC increased absolute proventriculus weight at 28 d of age (P<0.05). A numerically lower gizzard digesta pH (P<0.08) was observed at 28 d but not 42 d of age, and there was no difference in proventriculus, jejunum, or ileum digesta pH at 28 or 42 d of age. The 25 and 50% CC treatments increased the digesta retention time at 30 and 45 d of age (P<0.05 and P<0.01, respectively). The 25 and 50% CC treatments improved AID of energy by 7.1 and 8.2%, respectively, when compared with the 0% CC treatment, and they improved AID of N by 12.2 and 12.4%, respectively (P<0.01). The digesta particles in the jejunum exhibited a similar distribution, with a dgw (geometric mean diameter by mass) of 218, 204, and 181 μm when 0, 25, of 50% CC diets were consumed, respectively. In conclusion, birds fed pelleted and screened diets that contained 25 and 50% CC exhibited increased BW, improved FCR, and increased AID of energy and N, which was probably due to enhanced gizzard development and greater digesta retention time. © The Author 2015. Published by Oxford University Press on behalf of Poultry Science Association.

  19. Mass concentration and ion composition of coarse and fine particles in an urban area in Beirut: effect of calcium carbonate on the absorption of nitric and sulfuric acids and the depletion of chloride

    H. Kouyoumdjian

    2006-01-01

    Full Text Available Levels of coarse (PM10-2.5 and fine (PM2.5 particles were determined between February 2004 and January 2005 in the city of Beirut, Lebanon. While low PM mass concentrations were measured in the rainy season, elevated levels were detected during sand storms originating from Arabian desert and/or Africa. Using ATR-FTIR and IC, it was shown that nitrate, sulfate, carbonate and chloride were the main anionic constituents of the coarse particles, whereas sulfate was mostly predominant in the fine particles in the form of (NH42SO4. Ammonium nitrate was not expected to be important because the medium was defined as ammonium poor. In parallel, the cations Ca2+ and Na+ dominated in the coarse, and NH4+, Ca2+ and Na+ in the fine particles. Coarse nitrate and sulfate ions resulted from the respective reactions of nitric and sulfuric acid with a relatively high amount of calcium carbonate. Both CaCO3 and Ca(NO32 crystals identified by ATR-FTIR in the coarse particles were found to be resistant to soaking in water for 24 h but became water soluble when they were formed in the fine particles suggesting, thereby, different growth and adsorption phenomena. The seasonal variational study showed that nitrate and sulfate ion concentrations increased in the summer due to the enhancement of photochemical reactions which facilitated the conversion of NO2 and SO2 gases into NO3- and SO42-, respectively. While nitrate was mainly due to local heavy traffic, sulfates were due to local and long-range transport phenomena. Using the air mass trajectory HYSPLIT model, it was found that the increase in the sulfate concentration correlated with wind vectors coming from Eastern and Central Europe. Chloride levels, on the other hand, were high when wind originated from the sea and low during sand storms. In addition to sea salt, elevated levels of chloride were also attributed to waste mass burning in proximity to the site. In comparison to other neighboring Mediterranean

  20. INCREASED AIRWAYS INFLAMMATION AND MODIFIED BAL CELL SURFACE PHENOTYPES IN ASTHMATICS EXPOSED TO COARSE SIZE (PM2.5-10) CONCENTRATED AMBIENT PARTICLES (CAPS)

    Although associations between inhalation of PM10 and disease morbidity and mortality appear stronger for fine (PM2.5) vs coarse (PM2.5-10) or ultrafine/UF (PM<0.1) PM. In vitro studies suggest that PM2.5-10 are more potent in inducing pro-inflammatory cytokine responses from alve...

  1. Decomposition of organic carbon in fine soil particles is likely more sensitive to warming than in coarse particles: an incubation study with temperate grassland and forest soils in northern China.

    Ding, Fan; Huang, Yao; Sun, Wenjuan; Jiang, Guangfu; Chen, Yue

    2014-01-01

    It is widely recognized that global warming promotes soil organic carbon (SOC) decomposition, and soils thus emit more CO2 into the atmosphere because of the warming; however, the response of SOC decomposition to this warming in different soil textures is unclear. This lack of knowledge limits our projection of SOC turnover and CO2 emission from soils after future warming. To investigate the CO2 emission from soils with different textures, we conducted a 107-day incubation experiment. The soils were sampled from temperate forest and grassland in northern China. The incubation was conducted over three short-term cycles of changing temperature from 5°C to 30°C, with an interval of 5°C. Our results indicated that CO2 emissions from sand (>50 µm), silt (2-50 µm), and clay (soils. The temperature sensitivity of the CO2 emission from soil particles, which is expressed as Q10, decreased in the order clay>silt>sand. Our study also found that nitrogen availability in the soil facilitated the temperature dependence of SOC decomposition. A further analysis of the incubation data indicated a power-law decrease of Q10 with increasing temperature. Our results suggested that the decomposition of organic carbon in fine-textured soils that are rich in clay or silt could be more sensitive to warming than those in coarse sandy soils and that SOC might be more vulnerable in boreal and temperate regions than in subtropical and tropical regions under future warming.

  2. How coarse is too coarse for salmon spawning substrates?

    Wooster, J. K.; Riebe, C. S.; Ligon, F. K.; Overstreet, B. T.

    2009-12-01

    Populations of Pacific salmon species have declined sharply in many rivers of the western US. Reversing these declines is a top priority and expense of many river restoration projects. To help restore salmon populations, managers often inject gravel into rivers, to supplement spawning habitat that has been depleted by gravel mining and the effects of dams—which block sediment and thus impair habitat downstream by coarsening the bed where salmon historically spawned. However, there is little quantitative understanding nor a methodology for determining when a river bed has become too coarse for salmon spawning. Hence there is little scientific basis for selecting sites that would optimize the restoration benefits of gravel injection (e.g., sites where flow velocities are suitable but bed materials are too coarse for spawning). To develop a quantitative understanding of what makes river beds too coarse for salmon spawning, we studied redds and spawning use in a series of California and Washington rivers where salmon spawning ability appears to be affected by coarse bed material. Our working hypothesis is that for a given flow condition, there is a maximum “threshold” particle size that a salmon of a given size is able to excavate and/or move as she builds her redd. A second, related hypothesis is that spawning use should decrease and eventually become impossible with increasing percent coverage by immovable particles. To test these hypotheses, we quantified the sizes and spatial distributions of immovably coarse particles in a series of salmon redds in each river during the peak of spawning. We also quantified spawning use and how it relates to percent coverage by immovable particles. Results from our studies of fall-run chinook salmon (Oncorhynchus tshawytsha) in the Feather River suggest that immovable particle size varies as a function of flow velocity over the redd, implying that faster water helps fish move bigger particles. Our Feather River study also

  3. High time-resolved elemental components in fine and coarse particles in the Pearl River Delta region of Southern China: Dynamic variations and effects of meteorology.

    Zhou, Shengzhen; Davy, Perry K; Wang, Xuemei; Cohen, Jason Blake; Liang, Jiaquan; Huang, Minjuan; Fan, Qi; Chen, Weihua; Chang, Ming; Ancelet, Travis; Trompetter, William J

    2016-12-01

    Hourly-resolved PM 2.5 and PM 10-2.5 samples were collected in the industrial city Foshan in the Pearl River Delta region, China. The samples were subsequently analyzed for elemental components and black carbon (BC). A key purpose of the study was to understand the composition of particulate matter (PM) at high-time resolution in a polluted urban atmosphere to identify key components contributing to extreme PM concentration events and examine the diurnal chemical concentration patterns for air quality management purposes. It was found that BC and S concentrations dominated in the fine mode, while elements with mostly crustal and oceanic origins such as Si, Ca, Al and Cl were found in the coarse size fraction. Most of the elements showed strong diurnal variations. S did not show clear diurnal variations, suggesting regional rather than local origin. Based on empirical orthogonal functions (EOF) method, 3 forcing factors were identified contributing to the extreme events of PM 2.5 and selected elements, i.e., urban direct emissions, wet deposition and a combination of coarse mode sources. Conditional probability functions (CPF) were performed using wind profiles and elemental concentrations. The CPF results showed that BC and elemental Cl, K, Fe, Cu and Zn in the fine mode were mostly from the northwest, indicating that industrial emissions and combustion were the main sources. For elements in the coarse mode, Si, Al, K, Ca, Fe and Ti showed similar patterns, suggesting same sources such as local soil dust/construction activities. Coarse elemental Cl was mostly from the south and southeast, implying the influence of marine aerosol sources. For other trace elements, we found vanadium (V) in fine PM was mainly from the sources located to the southeast of the measuring site. Combined with CPF results of S and V in fine PM, we concluded shipping emissions were likely an important elemental emission source. Copyright © 2016. Published by Elsevier B.V.

  4. Fine and coarse PM composition and sources in rural and urban sites in Switzerland: local or regional pollution?

    Minguillón, M C; Querol, X; Baltensperger, U; Prévôt, A S H

    2012-06-15

    The chemical composition and sources of ambient particulate matter (PM) in Switzerland were studied. PM(1) and PM(10) samples were collected in winter and summer at an urban background site in Zurich and a rural background site in Payerne. Concentrations of major and trace elements, NO(3)(-), SO(4)(2-), NH(4)(+), organic and elemental carbon were determined. A subsequent Positive Matrix Factorization (PMF) analysis was performed. PM(10) and PM(1) concentrations varied similarly at both sites, with average PM(10) concentrations 24-25 μg/m(3) and 13-14 μg/m(3) in winter and summer, respectively, and average PM(1) concentrations 12-17 μg/m(3) and 6-7 μg/m(3). The influence of local sources was found to be higher in winter. PM was dominated by nitrate and organic matter in winter, and by mineral matter and organic matter in summer. Trace element concentrations related to road traffic (Zn, Cu, Sb, Sn) were higher at Zurich. Concentrations of Tl and Cs, attributed to the influence of a glass industry, were higher at Payerne. The elements mainly present in the coarse fraction were those related to mineral matter and brake and tyre abrasion (Cu, Mn, Ti, Sb, Sr, Bi, Li, La, Nd), and those in the fine fraction were related to high temperature anthropogenic processes (Pb, As, Cd, Tl, Cs). Common PM(1) and PM(1-10) sources identified by PMF were: ammonium nitrate, present in winter, negligible in summer; ammonium sulfate+K(biomass burning)+road traffic; and road traffic itself, related to exhaust emissions in PM(1) and to road dust resuspension in PM(1-10). Size-fraction specific sources were: a PM(1) glass industry source characterized by Cs, Tl, Rb, Li and Na, only present in Payerne; a PM(1) background source characterized by V, Ni, sulfate and Fe; two PM(1-10) mineral-related sources, with higher contribution in summer; a PM(1-10) salt source; and a PM(1-10) organic source, with higher contribution in summer, attributed to bioaerosols. Copyright © 2012 Elsevier B

  5. Lectures on coarse geometry

    Roe, John

    2003-01-01

    Coarse geometry is the study of spaces (particularly metric spaces) from a 'large scale' point of view, so that two spaces that look the same from a great distance are actually equivalent. This point of view is effective because it is often true that the relevant geometric properties of metric spaces are determined by their coarse geometry. Two examples of important uses of coarse geometry are Gromov's beautiful notion of a hyperbolic group and Mostow's proof of his famous rigidity theorem. The first few chapters of the book provide a general perspective on coarse structures. Even when only metric coarse structures are in view, the abstract framework brings the same simplification as does the passage from epsilons and deltas to open sets when speaking of continuity. The middle section reviews notions of negative curvature and rigidity. Modern interest in large scale geometry derives in large part from Mostow's rigidity theorem and from Gromov's subsequent 'large scale' rendition of the crucial properties of n...

  6. HIRENASD coarse unstructured

    National Aeronautics and Space Administration — Unstructured HIRENASD mesh: - coarse size (5.7 million nodes, 14.4 million elements) - for node centered solvers - 01.06.2011 - caution: dimensions in mm

  7. Predictive coarse-graining

    Schöberl, Markus, E-mail: m.schoeberl@tum.de [Continuum Mechanics Group, Technical University of Munich, Boltzmannstraße 15, 85748 Garching (Germany); Zabaras, Nicholas [Institute for Advanced Study, Technical University of Munich, Lichtenbergstraße 2a, 85748 Garching (Germany); Department of Aerospace and Mechanical Engineering, University of Notre Dame, 365 Fitzpatrick Hall, Notre Dame, IN 46556 (United States); Koutsourelakis, Phaedon-Stelios [Continuum Mechanics Group, Technical University of Munich, Boltzmannstraße 15, 85748 Garching (Germany)

    2017-03-15

    We propose a data-driven, coarse-graining formulation in the context of equilibrium statistical mechanics. In contrast to existing techniques which are based on a fine-to-coarse map, we adopt the opposite strategy by prescribing a probabilistic coarse-to-fine map. This corresponds to a directed probabilistic model where the coarse variables play the role of latent generators of the fine scale (all-atom) data. From an information-theoretic perspective, the framework proposed provides an improvement upon the relative entropy method and is capable of quantifying the uncertainty due to the information loss that unavoidably takes place during the coarse-graining process. Furthermore, it can be readily extended to a fully Bayesian model where various sources of uncertainties are reflected in the posterior of the model parameters. The latter can be used to produce not only point estimates of fine-scale reconstructions or macroscopic observables, but more importantly, predictive posterior distributions on these quantities. Predictive posterior distributions reflect the confidence of the model as a function of the amount of data and the level of coarse-graining. The issues of model complexity and model selection are seamlessly addressed by employing a hierarchical prior that favors the discovery of sparse solutions, revealing the most prominent features in the coarse-grained model. A flexible and parallelizable Monte Carlo – Expectation–Maximization (MC-EM) scheme is proposed for carrying out inference and learning tasks. A comparative assessment of the proposed methodology is presented for a lattice spin system and the SPC/E water model.

  8. Modelling airborne dispersion of coarse particulate material

    Apsley, D.D.

    1989-03-01

    Methods of modelling the airborne dispersion and deposition of coarse particulates are presented, with the emphasis on the heavy particles identified as possible constituents of releases from damaged AGR fuel. The first part of this report establishes the physical characteristics of the irradiated particulate in airborne emissions from AGR stations. The second part is less specific and describes procedures for extending current dispersion/deposition models to incorporate a coarse particulate component: the adjustment to plume spread parameters, dispersion from elevated sources and dispersion in conjunction with building effects and plume rise. (author)

  9. Coarse mesh code development

    Lieberoth, J.

    1975-06-15

    The numerical solution of the neutron diffusion equation plays a very important role in the analysis of nuclear reactors. A wide variety of numerical procedures has been proposed, at which most of the frequently used numerical methods are fundamentally based on the finite- difference approximation where the partial derivatives are approximated by the finite difference. For complex geometries, typical of the practical reactor problems, the computational accuracy of the finite-difference method is seriously affected by the size of the mesh width relative to the neutron diffusion length and by the heterogeneity of the medium. Thus, a very large number of mesh points are generally required to obtain a reasonably accurate approximate solution of the multi-dimensional diffusion equation. Since the computation time is approximately proportional to the number of mesh points, a detailed multidimensional analysis, based on the conventional finite-difference method, is still expensive even with modern large-scale computers. Accordingly, there is a strong incentive to develop alternatives that can reduce the number of mesh-points and still retain accuracy. One of the promising alternatives is the finite element method, which consists of the expansion of the neutron flux by piecewise polynomials. One of the advantages of this procedure is its flexibility in selecting the locations of the mesh points and the degree of the expansion polynomial. The small number of mesh points of the coarse grid enables to store the results of several of the least outer iterations and to calculate well extrapolated values of them by comfortable formalisms. This holds especially if only one energy distribution of fission neutrons is assumed for all fission processes in the reactor, because the whole information of an outer iteration is contained in a field of fission rates which has the size of all mesh points of the coarse grid.

  10. Quantum theory of multiscale coarse-graining.

    Han, Yining; Jin, Jaehyeok; Wagner, Jacob W; Voth, Gregory A

    2018-03-14

    Coarse-grained (CG) models serve as a powerful tool to simulate molecular systems at much longer temporal and spatial scales. Previously, CG models and methods have been built upon classical statistical mechanics. The present paper develops a theory and numerical methodology for coarse-graining in quantum statistical mechanics, by generalizing the multiscale coarse-graining (MS-CG) method to quantum Boltzmann statistics. A rigorous derivation of the sufficient thermodynamic consistency condition is first presented via imaginary time Feynman path integrals. It identifies the optimal choice of CG action functional and effective quantum CG (qCG) force field to generate a quantum MS-CG (qMS-CG) description of the equilibrium system that is consistent with the quantum fine-grained model projected onto the CG variables. A variational principle then provides a class of algorithms for optimally approximating the qMS-CG force fields. Specifically, a variational method based on force matching, which was also adopted in the classical MS-CG theory, is generalized to quantum Boltzmann statistics. The qMS-CG numerical algorithms and practical issues in implementing this variational minimization procedure are also discussed. Then, two numerical examples are presented to demonstrate the method. Finally, as an alternative strategy, a quasi-classical approximation for the thermal density matrix expressed in the CG variables is derived. This approach provides an interesting physical picture for coarse-graining in quantum Boltzmann statistical mechanics in which the consistency with the quantum particle delocalization is obviously manifest, and it opens up an avenue for using path integral centroid-based effective classical force fields in a coarse-graining methodology.

  11. Quantum theory of multiscale coarse-graining

    Han, Yining; Jin, Jaehyeok; Wagner, Jacob W.; Voth, Gregory A.

    2018-03-01

    Coarse-grained (CG) models serve as a powerful tool to simulate molecular systems at much longer temporal and spatial scales. Previously, CG models and methods have been built upon classical statistical mechanics. The present paper develops a theory and numerical methodology for coarse-graining in quantum statistical mechanics, by generalizing the multiscale coarse-graining (MS-CG) method to quantum Boltzmann statistics. A rigorous derivation of the sufficient thermodynamic consistency condition is first presented via imaginary time Feynman path integrals. It identifies the optimal choice of CG action functional and effective quantum CG (qCG) force field to generate a quantum MS-CG (qMS-CG) description of the equilibrium system that is consistent with the quantum fine-grained model projected onto the CG variables. A variational principle then provides a class of algorithms for optimally approximating the qMS-CG force fields. Specifically, a variational method based on force matching, which was also adopted in the classical MS-CG theory, is generalized to quantum Boltzmann statistics. The qMS-CG numerical algorithms and practical issues in implementing this variational minimization procedure are also discussed. Then, two numerical examples are presented to demonstrate the method. Finally, as an alternative strategy, a quasi-classical approximation for the thermal density matrix expressed in the CG variables is derived. This approach provides an interesting physical picture for coarse-graining in quantum Boltzmann statistical mechanics in which the consistency with the quantum particle delocalization is obviously manifest, and it opens up an avenue for using path integral centroid-based effective classical force fields in a coarse-graining methodology.

  12. Milestoning with coarse memory

    Hawk, Alexander T.

    2013-04-01

    Milestoning is a method used to calculate the kinetics of molecular processes occurring on timescales inaccessible to traditional molecular dynamics (MD) simulations. In the method, the phase space of the system is partitioned by milestones (hypersurfaces), trajectories are initialized on each milestone, and short MD simulations are performed to calculate transitions between neighboring milestones. Long trajectories of the system are then reconstructed with a semi-Markov process from the observed statistics of transition. The procedure is typically justified by the assumption that trajectories lose memory between crossing successive milestones. Here we present Milestoning with Coarse Memory (MCM), a generalization of Milestoning that relaxes the memory loss assumption of conventional Milestoning. In the method, milestones are defined and sample transitions are calculated in the standard Milestoning way. Then, after it is clear where trajectories sample milestones, the milestones are broken up into distinct neighborhoods (clusters), and each sample transition is associated with two clusters: the cluster containing the coordinates the trajectory was initialized in, and the cluster (on the terminal milestone) containing trajectory's final coordinates. Long trajectories of the system are then reconstructed with a semi-Markov process in an extended state space built from milestone and cluster indices. To test the method, we apply it to a process that is particularly ill suited for Milestoning: the dynamics of a polymer confined to a narrow cylinder. We show that Milestoning calculations of both the mean first passage time and the mean transit time of reversal—which occurs when the end-to-end vector reverses direction—are significantly improved when MCM is applied. Finally, we note the overhead of performing MCM on top of conventional Milestoning is negligible.

  13. Coarse mode aerosols in the High Arctic

    Baibakov, K.; O'Neill, N. T.; Chaubey, J. P.; Saha, A.; Duck, T. J.; Eloranta, E. W.

    2014-12-01

    Fine mode (submicron) aerosols in the Arctic have received a fair amount of scientific attention in terms of smoke intrusions during the polar summer and Arctic haze pollution during the polar winter. Relatively little is known about coarse mode (supermicron) aerosols, notably dust, volcanic ash and sea salt. Asian dust is a regular springtime event whose optical and radiative forcing effects have been fairly well documented at the lower latitudes over North America but rarely reported for the Arctic. Volcanic ash, whose socio-economic importance has grown dramatically since the fear of its effects on aircraft engines resulted in the virtual shutdown of European civil aviation in the spring of 2010 has rarely been reported in the Arctic in spite of the likely probability that ash from Iceland and the Aleutian Islands makes its way into the Arctic and possibly the high Arctic. Little is known about Arctic sea salt aerosols and we are not aware of any literature on the optical measurement of these aerosols. In this work we present preliminary results of the combined sunphotometry-lidar analysis at two High Arctic stations in North America: PEARL (80°N, 86°W) for 2007-2011 and Barrow (71°N,156°W) for 2011-2014. The multi-years datasets were analyzed to single out potential coarse mode incursions and study their optical characteristics. In particular, CIMEL sunphotometers provided coarse mode optical depths as well as information on particle size and refractive index. Lidar measurements from High Spectral Resolution lidars (AHSRL at PEARL and NSHSRL at Barrow) yielded vertically resolved aerosol profiles and gave an indication of particle shape and size from the depolarization ratio and color ratio profiles. Additionally, we employed supplementary analyses of HYSPLIT backtrajectories, OMI aerosol index, and NAAPS (Navy Aerosol Analysis and Prediction System) outputs to study the spatial context of given events.

  14. Characterization of coarse particulate matter in school gyms

    Branis, Martin, E-mail: branis@natur.cuni.cz [Charles University in Prague, Faculty of Science, Institute for Environmental Studies, Prague (Czech Republic); Safranek, Jiri [Charles University in Prague, Faculty of Physical Education, Department of Outdoor Sports, Prague (Czech Republic)

    2011-05-15

    We investigated the mass concentration, mineral composition and morphology of particles resuspended by children during scheduled physical education in urban, suburban and rural elementary school gyms in Prague (Czech Republic). Cascade impactors were deployed to sample the particulate matter. Two fractions of coarse particulate matter (PM{sub 10-2.5} and PM{sub 2.5-1.0}) were characterized by gravimetry, energy dispersive X-ray spectrometry and scanning electron microscopy. Two indicators of human activity, the number of exercising children and the number of physical education hours, were also recorded. Lower mass concentrations of coarse particulate matter were recorded outdoors (average PM{sub 10-2.5} 4.1-7.4 {mu}g m{sup -3} and PM{sub 2.5-1.0} 2.0-3.3 {mu}g m{sup -3}) than indoors (average PM{sub 10-2.5} 13.6-26.7 {mu}g m{sup -3} and PM{sub 2.5-1.0} 3.7-7.4 {mu}g m{sup -3}). The indoor concentrations of coarse aerosol were elevated during days with scheduled physical education with an average indoor-outdoor (I/O) ratio of 2.5-16.3 for the PM{sub 10-2.5} and 1.4-4.8 for the PM{sub 2.5-1.0} values. Under extreme conditions, the I/O ratios reached 180 (PM{sub 10-2.5}) and 19.1 (PM{sub 2.5-1.0}). The multiple regression analysis based on the number of students and outdoor coarse PM as independent variables showed that the main predictor of the indoor coarse PM concentrations is the number of students in the gym. The effect of outdoor coarse PM was weak and inconsistent. The regression models for the three schools explained 60-70% of the particular dataset variability. X-ray spectrometry revealed 6 main groups of minerals contributing to resuspended indoor dust. The most abundant particles were those of crustal origin composed of Si, Al, O and Ca. Scanning electron microscopy showed that, in addition to numerous inorganic particles, various types of fibers and particularly skin scales make up the main part of the resuspended dust in the gyms. In conclusion, school

  15. Characterization of coarse particulate matter in school gyms

    Branis, Martin; Safranek, Jiri

    2011-01-01

    We investigated the mass concentration, mineral composition and morphology of particles resuspended by children during scheduled physical education in urban, suburban and rural elementary school gyms in Prague (Czech Republic). Cascade impactors were deployed to sample the particulate matter. Two fractions of coarse particulate matter (PM 10-2.5 and PM 2.5-1.0 ) were characterized by gravimetry, energy dispersive X-ray spectrometry and scanning electron microscopy. Two indicators of human activity, the number of exercising children and the number of physical education hours, were also recorded. Lower mass concentrations of coarse particulate matter were recorded outdoors (average PM 10-2.5 4.1-7.4 μg m -3 and PM 2.5-1.0 2.0-3.3 μg m -3 ) than indoors (average PM 10-2.5 13.6-26.7 μg m -3 and PM 2.5-1.0 3.7-7.4 μg m -3 ). The indoor concentrations of coarse aerosol were elevated during days with scheduled physical education with an average indoor-outdoor (I/O) ratio of 2.5-16.3 for the PM 10-2.5 and 1.4-4.8 for the PM 2.5-1.0 values. Under extreme conditions, the I/O ratios reached 180 (PM 10-2.5 ) and 19.1 (PM 2.5-1.0 ). The multiple regression analysis based on the number of students and outdoor coarse PM as independent variables showed that the main predictor of the indoor coarse PM concentrations is the number of students in the gym. The effect of outdoor coarse PM was weak and inconsistent. The regression models for the three schools explained 60-70% of the particular dataset variability. X-ray spectrometry revealed 6 main groups of minerals contributing to resuspended indoor dust. The most abundant particles were those of crustal origin composed of Si, Al, O and Ca. Scanning electron microscopy showed that, in addition to numerous inorganic particles, various types of fibers and particularly skin scales make up the main part of the resuspended dust in the gyms. In conclusion, school gyms were found to be indoor microenvironments with high concentrations of

  16. Characterization of coarse particulate matter in school gyms.

    Braniš, Martin; Šafránek, Jiří

    2011-05-01

    We investigated the mass concentration, mineral composition and morphology of particles resuspended by children during scheduled physical education in urban, suburban and rural elementary school gyms in Prague (Czech Republic). Cascade impactors were deployed to sample the particulate matter. Two fractions of coarse particulate matter (PM(10-2.5) and PM(2.5-1.0)) were characterized by gravimetry, energy dispersive X-ray spectrometry and scanning electron microscopy. Two indicators of human activity, the number of exercising children and the number of physical education hours, were also recorded. Lower mass concentrations of coarse particulate matter were recorded outdoors (average PM(10-2.5) 4.1-7.4 μg m(-3) and PM(2.5-1.0) 2.0-3.3 μg m(-3)) than indoors (average PM(10-2.5) 13.6-26.7 μg m(-3) and PM(2.5-1.0) 3.7-7.4 μg m(-3)). The indoor concentrations of coarse aerosol were elevated during days with scheduled physical education with an average indoor-outdoor (I/O) ratio of 2.5-16.3 for the PM(10-2.5) and 1.4-4.8 for the PM(2.5-1.0) values. Under extreme conditions, the I/O ratios reached 180 (PM(10-2.5)) and 19.1 (PM(2.5-1.0)). The multiple regression analysis based on the number of students and outdoor coarse PM as independent variables showed that the main predictor of the indoor coarse PM concentrations is the number of students in the gym. The effect of outdoor coarse PM was weak and inconsistent. The regression models for the three schools explained 60-70% of the particular dataset variability. X-ray spectrometry revealed 6 main groups of minerals contributing to resuspended indoor dust. The most abundant particles were those of crustal origin composed of Si, Al, O and Ca. Scanning electron microscopy showed that, in addition to numerous inorganic particles, various types of fibers and particularly skin scales make up the main part of the resuspended dust in the gyms. In conclusion, school gyms were found to be indoor microenvironments with high

  17. Terrain aided navigation for autonomous underwater vehicles with coarse maps

    Zhou, Ling; Cheng, Xianghong; Zhu, Yixian

    2016-01-01

    Terrain aided navigation (TAN) is a form of geophysical localization technique for autonomous underwater vehicles (AUVs) operating in GPS-denied environments. TAN performance on sensor-rich AUVs has been evaluated in sea trials. However, many challenges remain before TAN can be successfully implemented on sensor-limited AUVs, especially with coarse maps. To improve TAN performance over coarse maps, a Gaussian process (GP) is proposed for the modeling of bathymetric terrain and integrated into the particle filter (GP-PF). GP is applied to provide not only the bathymetric value prediction through learning a set of bathymetric data from coarse maps but also the variance of the prediction. As a measurement update, calculated on bathymetric deviation is performed through the PF to obtain absolute and bounded positioning accuracy. Through the analysis of TAN performance on experimental data for two different terrains with map resolutions of 10–50 m, both the ability of the proposed model to represent the actual bathymetric terrain with accuracy and the effect of the GP-PF for TAN on sensor-limited systems in suited terrain are demonstrated. The experiment results further verify that there is an inverse relationship between the coarseness of the map and the overall TAN accuracy in rough terrains, but there is hardly any relationship between them in relatively flat terrains. (paper)

  18. Coarse-graining complex dynamics

    Sibani, Paolo

    2013-01-01

    Continuous Time Random Walks (CTRW) are widely used to coarse-grain the evolution of systems jumping from a metastable sub-set of their configuration space, or trap, to another via rare intermittent events. The multi-scaled behavior typical of complex dynamics is provided by a fat...... macroscopic variables all produce identical long time relaxation behaviors. Hence, CTRW shed no light on the link between microscopic and macroscopic dynamics. We then highlight how a more recent approach, Record Dynamics (RD) provides a viable alternative, based on a very different set of physical ideas......: while CTRW make use of a renewal process involving identical traps of infinite size, RD embodies a dynamical entrenchment into a hierarchy of traps which are finite in size and possess different degrees of meta-stability. We show in particular how RD produces the stretched exponential, power...

  19. Hierarchical coarse-graining transform.

    Pancaldi, Vera; King, Peter R; Christensen, Kim

    2009-03-01

    We present a hierarchical transform that can be applied to Laplace-like differential equations such as Darcy's equation for single-phase flow in a porous medium. A finite-difference discretization scheme is used to set the equation in the form of an eigenvalue problem. Within the formalism suggested, the pressure field is decomposed into an average value and fluctuations of different kinds and at different scales. The application of the transform to the equation allows us to calculate the unknown pressure with a varying level of detail. A procedure is suggested to localize important features in the pressure field based only on the fine-scale permeability, and hence we develop a form of adaptive coarse graining. The formalism and method are described and demonstrated using two synthetic toy problems.

  20. Sea Dredged Gravel versus Crushed Granite as Coarse Aggregate for Self Compacting Concrete in Aggressive Environment

    Sørensen, Eigil V.; Kristensen, Lasse Frølich

    2007-01-01

    Properties of self compacting concrete (SCC) with two types of coarse aggregate - sea dredged gravel with smooth and rounded particles and crushed granite with rough and angular particles - have been studied. Sea gravel allowed a higher aggregate proportion in the concrete leading to a higher...

  1. Coarse graining for synchronization in directed networks

    Zeng, An; Lü, Linyuan

    2011-05-01

    Coarse-graining model is a promising way to analyze and visualize large-scale networks. The coarse-grained networks are required to preserve statistical properties as well as the dynamic behaviors of the initial networks. Some methods have been proposed and found effective in undirected networks, while the study on coarse-graining directed networks lacks of consideration. In this paper we proposed a path-based coarse-graining (PCG) method to coarse grain the directed networks. Performing the linear stability analysis of synchronization and numerical simulation of the Kuramoto model on four kinds of directed networks, including tree networks and variants of Barabási-Albert networks, Watts-Strogatz networks, and Erdös-Rényi networks, we find our method can effectively preserve the network synchronizability.

  2. Coarse Grained Transport Model for Neutrals in Turbulent SOL Plasmas

    Marandet, Y.; Mekkaoui, A.; Genesio, P.; Rosato, J.; Capes, H.; Godbert-Mouret, L.; Koubiti, M.; Stamm, R., E-mail: yannick.marandet@univ-amu.fr [PIIM, CNRS/Aix-Marseille University, Marseille (France); Reiter, D.; Boerner, P. [IEK4, FZJ, Juelich (Germany)

    2012-09-15

    Full text: Edge plasmas of magnetic fusion devices exhibit strong intermittent turbulence, which governs perpendicular transport of particles and heat. Turbulent fluxes result from the coarse graining procedure used to derive the transport equation, which entails time averaging of the underlying equations governing the turbulent evolution of the electron and ion fluids. In previous works, we have pointed out that this averaging is not carried out on the Boltzmann equation that describes the transport of neutral particles (atoms, molecules) in current edge code suites (such as SOLPS). Since fluctuations in the far SOL are of order unity, calculating the transport of neutral particles, hence the source terms in plasma fluid equations, in the average plasma background might lead to misleading results. In particular, retaining the effects of fluctuations could affect the estimation of the importance of main chamber recycling, hence first wall sputtering by charge exchange atoms, as well as main chamber impurity contamination and transport. In this contribution, we obtain an exact coarse-grained equation for the average neutral density, assuming that density fluctuations are described by multivariate Gamma statistics. This equation is a scattering free Boltzmann equation, where the ionization rate has been renormalized to account for fluctuations. The coarse grained transport model for neutrals has been implemented in the EIRENE code, and applications in 2D geometry with ITER relevant plasma parameters are presented. Our results open the way for the implementation of the effects of turbulent fluctuations on the transport of neutral particles in coupled plasma/neutral edge codes like B2-EIRENE. (author)

  3. Determination of time- and size-dependent fine particle emission with varied oil heating in an experimental kitchen.

    Li, Shuangde; Gao, Jiajia; He, Yiqing; Cao, Liuxu; Li, Ang; Mo, Shengpeng; Chen, Yunfa; Cao, Yaqun

    2017-01-01

    Particulate matter (PM) from cooking has caused seriously indoor air pollutant and aroused risk to human health. It is urged to get deep knowledge of their spatial-temporal distribution of source emission characteristics, especially ultrafine particles (UFP<100nm) and accumulation mode particles (AMP 100-665nm). Four commercial cooking oils are auto dipped water to simulate cooking fume under heating to 265°C to investigate PM emission and decay features between 0.03 and 10μm size dimension by electrical low pressure impactor (ELPI) without ventilation. Rapeseed and sunflower produced high PM 2.5 around 6.1mg/m 3 , in comparison with those of soybean and corn (5.87 and 4.65mg/m 3 , respectively) at peak emission time between 340 and 460sec since heating oil, but with the same level of particle numbers 6-9×10 5 /cm 3 . Mean values of PM 1.0 /PM 2.5 and PM 2.5 /PM 10 at peak emission time are around 0.51-0.66 and 0.23-0.29. After 15min naturally deposition, decay rates of PM 1.0 , PM 2.5 and PM 10 are 13.3%-29.8%, 20.1%-33.9% and 41.2%-54.7%, which manifest that PM 1.0 is quite hard to decay than larger particles, PM 2.5 and PM 10 . The majority of the particle emission locates at 43nm with the largest decay rate at 75%, and shifts to a larger size between 137 and 655nm after 15min decay. The decay rates of the particles are sensitive to the oil type. Copyright © 2016. Published by Elsevier B.V.

  4. Learning to Play Efficient Coarse Correlated Equilibria

    Borowski, Holly P.

    2018-03-10

    The majority of the distributed learning literature focuses on convergence to Nash equilibria. Coarse correlated equilibria, on the other hand, can often characterize more efficient collective behavior than even the best Nash equilibrium. However, there are no existing distributed learning algorithms that converge to specific coarse correlated equilibria. In this paper, we provide one such algorithm, which guarantees that the agents’ collective joint strategy will constitute an efficient coarse correlated equilibrium with high probability. The key to attaining efficient correlated behavior through distributed learning involves incorporating a common random signal into the learning environment.

  5. Coarse and fine sediment transportation patterns and causes downstream of the Three Gorges Dam

    Li, Songzhe; Yang, Yunping; Zhang, Mingjin; Sun, Zhaohua; Zhu, Lingling; You, Xingying; Li, Kanyu

    2017-11-01

    Reservoir construction within a basin affects the process of water and sediment transport downstream of the dam. The Three Gorges Reservoir (TGR) affects the sediment transport downstream of the dam. The impoundment of the TGR reduced total downstream sediment. The sediment group d≤0.125 mm (fine particle) increased along the path, but the average was still below what existed before the reservoir impoundment. The sediments group d>0.125 mm (coarse particle) was recharged in the Yichang to Jianli reach, but showed a deposition trend downstream of Jianli. The coarse sediment in the Yichang to Jianli section in 2003 to 2007 was above the value before the TGR impoundment. However, the increase of both coarse and fine sediments in 2008 to 2014 was less than that in 2003 to 2007. The sediment retained in the dam is the major reason for the sediment reduction downstream. However, the retention in different river reaches is affected by riverbed coarsening, discharge, flow process, and conditions of lake functioning and recharging from the tributaries. The main conclusions derived from our study are as follows: 1) The riverbed in the Yichang to Shashi section was relatively coarse, thereby limiting the supply of fine and coarse sediments. The fine sediment supply was mainly controlled by TGR discharge, whereas the coarse sediment supply was controlled by the duration of high flow and its magnitude. 2) The supply of both coarse and fine sediments in the Shashi to Jianli section was controlled by the amount of total discharge. The sediment supply from the riverbed was higher in flood years than that in the dry years. The coarse sediment tended to deposit, and the deposition in the dry years was larger than that in the flood years. 3) The feeding of the fine sediment in the Luoshan to Hankou section was mainly from the riverbed. The supply in 2008 to 2014 was more than that in 2003 to 2007. Around 2010, the coarse sediments transited from depositing to scouring that was

  6. Parametrizing coarse grained models for molecular systems at equilibrium

    Kalligiannaki, Evangelia; Chazirakis, A.; Tsourtis, A.; Katsoulakis, M. A.; Plechá č, P.; Harmandaris, V.

    2016-01-01

    Hierarchical coarse graining of atomistic molecular systems at equilibrium has been an intensive research topic over the last few decades. In this work we (a) review theoretical and numerical aspects of different parametrization methods (structural-based, force matching and relative entropy) to derive the effective interaction potential between coarse-grained particles. All methods approximate the many body potential of mean force; resulting, however, in different optimization problems. (b) We also use a reformulation of the force matching method by introducing a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (E. Kalligiannaki, et al., J. Chem. Phys. 2015). We apply and compare these methods to: (a) a benchmark system of two isolated methane molecules; (b) methane liquid; (c) water; and (d) an alkane fluid. Differences between the effective interactions, derived from the various methods, are found that depend on the actual system under study. The results further reveal the relation of the various methods and the sensitivities that may arise in the implementation of numerical methods used in each case.

  7. Parametrizing coarse grained models for molecular systems at equilibrium

    Kalligiannaki, Evangelia

    2016-10-18

    Hierarchical coarse graining of atomistic molecular systems at equilibrium has been an intensive research topic over the last few decades. In this work we (a) review theoretical and numerical aspects of different parametrization methods (structural-based, force matching and relative entropy) to derive the effective interaction potential between coarse-grained particles. All methods approximate the many body potential of mean force; resulting, however, in different optimization problems. (b) We also use a reformulation of the force matching method by introducing a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (E. Kalligiannaki, et al., J. Chem. Phys. 2015). We apply and compare these methods to: (a) a benchmark system of two isolated methane molecules; (b) methane liquid; (c) water; and (d) an alkane fluid. Differences between the effective interactions, derived from the various methods, are found that depend on the actual system under study. The results further reveal the relation of the various methods and the sensitivities that may arise in the implementation of numerical methods used in each case.

  8. Hybrid continuum-coarse-grained modeling of erythrocytes

    Lyu, Jinming; Chen, Paul G.; Boedec, Gwenn; Leonetti, Marc; Jaeger, Marc

    2018-06-01

    The red blood cell (RBC) membrane is a composite structure, consisting of a phospholipid bilayer and an underlying membrane-associated cytoskeleton. Both continuum and particle-based coarse-grained RBC models make use of a set of vertices connected by edges to represent the RBC membrane, which can be seen as a triangular surface mesh for the former and a spring network for the latter. Here, we present a modeling approach combining an existing continuum vesicle model with a coarse-grained model for the cytoskeleton. Compared to other two-component approaches, our method relies on only one mesh, representing the cytoskeleton, whose velocity in the tangential direction of the membrane may be different from that of the lipid bilayer. The finitely extensible nonlinear elastic (FENE) spring force law in combination with a repulsive force defined as a power function (POW), called FENE-POW, is used to describe the elastic properties of the RBC membrane. The mechanical interaction between the lipid bilayer and the cytoskeleton is explicitly computed and incorporated into the vesicle model. Our model includes the fundamental mechanical properties of the RBC membrane, namely fluidity and bending rigidity of the lipid bilayer, and shear elasticity of the cytoskeleton while maintaining surface-area and volume conservation constraint. We present three simulation examples to demonstrate the effectiveness of this hybrid continuum-coarse-grained model for the study of RBCs in fluid flows.

  9. Learning to Play Efficient Coarse Correlated Equilibria

    Borowski, Holly P.; Marden, Jason R.; Shamma, Jeff S.

    2018-01-01

    The majority of the distributed learning literature focuses on convergence to Nash equilibria. Coarse correlated equilibria, on the other hand, can often characterize more efficient collective behavior than even the best Nash equilibrium. However

  10. NEW RSW & Wall Coarse Tet Only Grid

    National Aeronautics and Space Administration — This is the RSW Coarse Tet Only grid with the root viscous tunnel wall. This grid is for a node-based unstructured solver. Quad Surface Faces= 0 Tria Surface Faces=...

  11. NEW RSW & Wall Coarse Mixed Element Grid

    National Aeronautics and Space Administration — This is the Coarse Mixed Element Grid for the RSW with a viscous wall at the root. This grid is for a node-based unstructured solver. Quad Surface Faces= 9728 Tria...

  12. Coarse Thinking and Pricing a Financial Option

    Siddiqi, Hammad

    2009-01-01

    Mullainathan et al [Quarterly Journal of Economics, May 2008] present a formalization of the concept of coarse thinking in the context of a model of persuasion. The essential idea behind coarse thinking is that people put situations into categories and the values assigned to attributes in a given situation are affected by the values of corresponding attributes in other co-categorized situations. We derive a new option pricing formula based on the assumption that the market consists of coars...

  13. In-Plant Testing of the Hydrofloat Separator for Coarse Phospahte Recovery

    Barbee, Christopher John

    2007-01-01

    The HydroFloat technology was specifically developed to upgrade phosphate sands that are too coarse to be efficiently recovered by conventional flotation methods. In this novel process, classified feed is suspended in a fluidized-bed and then aerated. The reagentized phosphate particles become buoyant and report to the product launder after encountering and attaching to the rising air bubbles. Simultaneously, the hydrophilic particles are rejected as a high solids content (65-70%) underflow. ...

  14. Coarse grained model for semiquantitative lipid simulations

    Marrink, SJ; de Vries, AH; Mark, AE

    2004-01-01

    This paper describes the parametrization of a new coarse grained (CG) model for lipid and surfactant systems. Reduction of the number of degrees of freedom together with the use of short range potentials makes it computationally very efficient. Compared to atomistic models a gain of 3-4 orders of

  15. The Martini Coarse-Grained Force Field

    Periole, X.; Marrink, S.J.; Monticelli, Luca; Salonen, Emppu

    2013-01-01

    The Martini force field is a coarse-grained force field suited for molecular dynamics simulations of biomolecular systems. The force field has been parameterized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical

  16. Modelling the fine and coarse fraction of Pb, Cd, As and Ni air concentration in Spain

    Gonzalez, M. A.; Vivanco, M. G.

    2015-07-01

    Lead, cadmium, arsenic and nickel are present in the air due to natural and anthropogenic emissions, normally joined to particles. Human health and ecosystems can be damaged by high atmospheric levels of these metals, since they can be introduced in organisms via inhalation or ingestion. Small particles are inhaled and embebed in lungs and alveolus more easily than coarse particles. The CHIMERE model is a eulerian air quality model extensively used in air quality modelling. Metals have been recently included in this model in a special version developed in the CIEMAT modelling group (Madrid, Spain). Vivanco et al. (2011) and Gonzalez et al. (2012) showed an evaluation of the model performance for some metals in Spain and Europe. In these studies, metals were considered as fine particles. Nevertheless there is some observational evidence of the presence of some metals also in the coarse fraction. For this reason, a new attempt of modelling metals considering a fine (<2.5 μm) and coarse (2.5-10 μm) fraction has been done. Measurements of metal concentration in PM10, PM2.5 and PM1 recorded in Spain were used to obtain the new metal particle distribution size. On the other hand, natural emissions, not considered in the above mentioned studies, were implemented in the model, by considering metal emissions associated to dust resuspensiont. An evaluation of the new version is presented and discussed for two domains in Spain, centered on Barcelona and Huelva respectively. (Author)

  17. Modelling the fine and coarse fraction of Pb, Cd, As and Ni air concentration in Spain

    Gonzalez, M.A.; Vivanco, M.

    2015-07-01

    Lead, cadmium, arsenic and nickel are present in the air due to natural and anthropogenic emissions, normally joined to particles. Human health and ecosystems can be damaged by high atmospheric levels of these metals, since they can be introduced in organisms via inhalation or ingestion. Small particles are inhaled and embebed in lungs and alveolus more easily than coarse particles. The CHIMERE model is a eulerian air quality model extensively used in air quality modelling. Metals have been recently included in this model in a special version developed in the CIEMAT modelling group (Madrid, Spain). Vivanco et al. (2011) and González et al. (2012) showed an evaluation of the model performance for some metals in Spain and Europe. In these studies, metals were considered as fine particles. Nevertheless there is some observational evidence of the presence of some metals also in the coarse fraction. For this reason, a new attempt of modelling metals considering a fine (<2.5 μm) and coarse (2.5-10 μm) fraction has been done. Measurements of metal concentration in PM10, PM2.5 and PM1 recorded in Spain were used to obtain the new metal particle distribution size. On the other hand, natural emissions, not considered in the above mentioned studies, were implemented in the model, by considering metal emissions associated to dust resuspensiont. An evaluation of the new version is presented and discussed for two domains in Spain, centered on Barcelona and Huelva respectively. (Author)

  18. Modelling the fine and coarse fraction of Pb, Cd, As and Ni air concentration in Spain

    Gonzalez, M. A.; Vivanco, M. G.

    2015-01-01

    Lead, cadmium, arsenic and nickel are present in the air due to natural and anthropogenic emissions, normally joined to particles. Human health and ecosystems can be damaged by high atmospheric levels of these metals, since they can be introduced in organisms via inhalation or ingestion. Small particles are inhaled and embebed in lungs and alveolus more easily than coarse particles. The CHIMERE model is a eulerian air quality model extensively used in air quality modelling. Metals have been recently included in this model in a special version developed in the CIEMAT modelling group (Madrid, Spain). Vivanco et al. (2011) and Gonzalez et al. (2012) showed an evaluation of the model performance for some metals in Spain and Europe. In these studies, metals were considered as fine particles. Nevertheless there is some observational evidence of the presence of some metals also in the coarse fraction. For this reason, a new attempt of modelling metals considering a fine (<2.5 μm) and coarse (2.5-10 μm) fraction has been done. Measurements of metal concentration in PM10, PM2.5 and PM1 recorded in Spain were used to obtain the new metal particle distribution size. On the other hand, natural emissions, not considered in the above mentioned studies, were implemented in the model, by considering metal emissions associated to dust resuspensiont. An evaluation of the new version is presented and discussed for two domains in Spain, centered on Barcelona and Huelva respectively. (Author)

  19. Coarse Particulate Organic Matter: Storage, Transport, and Retention

    Tiegs, Scott [Oakland University, Rochester, MI; Lamberti, Gary A. [University of Notre Dame, IN; Entrekin, Sally A. [University of Central Arkansas; Griffiths, Natalie A. [ORNL

    2017-08-01

    Coarse particulate organic matter, or CPOM, is a basal energy and nutrient resource in many stream ecosystems and is provided by inputs from the riparian zone, incoming tributaries, and to a lesser extent from in-stream production. The ability of a stream to retain CPOM or slow its transport is critical to its consumption and assimilation by stream biota. In this chapter, we describe basic exercises to measure (1) the amount of CPOM in the streambed and (2) the retention of CPOM from standardized particle releases. We further describe advanced exercises that (1) experimentally enhance the retentiveness of a stream reach and (2) measure organic carbon transport and turnover (i.e., spiraling) in the channel.

  20. Coarse Particulate Organic Matter: Storage, Transport, and Retention

    Tiegs, Scott [Oakland University, Rochester, MI; Lamberti, Gary A. [University of Notre Dame, IN; Entrekin, Sally A. [University of Central Arkansas; Griffiths, Natalie A. [ORNL

    2017-06-01

    Coarse particulate organic matter, or CPOM, is a basal energy and nutrient resource in many stream ecosystems and is provided by inputs from the riparian zone, incoming tributaries, and to a lesser extent from in-stream production. The ability of a stream to retain CPOM or slow its transport is critical to its consumption and assimilation by stream biota. In this chapter, we describe basic exercises to measure (1) the amount of CPOM in the streambed and (2) the retention of CPOM from standardized particle releases. We further describe advanced exercises that (1) experimentally enhance the retentiveness of a stream reach and (2) measure organic carbon transport and turnover (i.e., spiraling) in the channel.

  1. Relating water and air flow characteristics in coarse granular materials

    Andreasen, Rune Røjgaard; Canga, Eriona; Poulsen, Tjalfe Gorm

    2013-01-01

    Water pressure drop as a function of velocity controls w 1 ater cleaning biofilter operation 2 cost. At present this relationship in biofilter materials must be determined experimentally as no 3 universal link between pressure drop, velocity and filter material properties have been established. 4...... Pressure drop - velocity in porous media is much simpler and faster to measure for air than for water. 5 For soils and similar materials, observations show a strong connection between pressure drop – 6 velocity relations for air and water, indicating that water pressure drop – velocity may be estimated 7...... from air flow data. The objective of this study was, therefore, to investigate if this approach is valid 8 also for coarse granular biofilter media which usually consists of much larger particles than soils. In 9 this paper the connection between the pressure drop – velocity relationships for air...

  2. Spacetime coarse grainings in nonrelativistic quantum mechanics

    Hartle, J.B.

    1991-01-01

    Sum-over-histories generalizations of nonrelativistic quantum mechanics are explored in which probabilities are predicted, not just for alternatives defined on spacelike surfaces, but for alternatives defined by the behavior of spacetime histories with respect to spacetime regions. Closed, nonrelativistic systems are discussed whose histories are paths in a given configuration space. The action and the initial quantum state are assumed fixed and given. A formulation of quantum mechanics is used which assigns probabilities to members of sets of alternative coarse-grained histories of the system, that is, to the individual classes of a partition of its paths into exhaustive and exclusive classes. Probabilities are assigned to those sets which decohere, that is, whose probabilities are consistent with the sum rules of probability theory. Coarse graining by the behavior of paths with respect to regions of spacetime is described. For example, given a single region, the set of all paths may be partitioned into those which never pass through the region and those which pass through the region at least once. A sum-over-histories decoherence functional is defined for sets of alternative histories coarse-grained by spacetime regions. Techniques for the definition and effective computation of the relevant sums over histories by operator-product formulas are described and illustrated by examples. Methods based on Euclidean stochastic processes are also discussed and illustrated. Models of decoherence and measurement for spacetime coarse grainings are described. Issues of causality are investigated. Such spacetime generalizations of nonrelativistic quantum mechanics may be useful models for a generalized quantum mechanics of spacetime geometry

  3. Symmetries and the coarse-mesh method

    Makai, M.

    1980-10-01

    This report approaches the basic problem of the coarse-mesh method from a new side. Group theory is used for the determination of the space dependency of the flux. The result is a method called ANANAS after the analytic-analytic solution. This method was tested on two benchmark problems: one given by Melice and the IAEA benchmark. The ANANAS program is an experimental one. The method was intended for use in hexagonal geometry. (Auth.)

  4. Coarse graining flow of spin foam intertwiners

    Dittrich, Bianca; Schnetter, Erik; Seth, Cameron J.; Steinhaus, Sebastian

    2016-12-01

    Simplicity constraints play a crucial role in the construction of spin foam models, yet their effective behavior on larger scales is scarcely explored. In this article we introduce intertwiner and spin net models for the quantum group SU (2 )k×SU (2 )k, which implement the simplicity constraints analogous to four-dimensional Euclidean spin foam models, namely the Barrett-Crane (BC) and the Engle-Pereira-Rovelli-Livine/Freidel-Krasnov (EPRL/FK) model. These models are numerically coarse grained via tensor network renormalization, allowing us to trace the flow of simplicity constraints to larger scales. In order to perform these simulations we have substantially adapted tensor network algorithms, which we discuss in detail as they can be of use in other contexts. The BC and the EPRL/FK model behave very differently under coarse graining: While the unique BC intertwiner model is a fixed point and therefore constitutes a two-dimensional topological phase, BC spin net models flow away from the initial simplicity constraints and converge to several different topological phases. Most of these phases correspond to decoupling spin foam vertices; however we find also a new phase in which this is not the case, and in which a nontrivial version of the simplicity constraints holds. The coarse graining flow of the BC spin net models indicates furthermore that the transitions between these phases are not of second order. The EPRL/FK model by contrast reveals a far more intricate and complex dynamics. We observe an immediate flow away from the original simplicity constraints; however, with the truncation employed here, the models generically do not converge to a fixed point. The results show that the imposition of simplicity constraints can indeed lead to interesting and also very complex dynamics. Thus we need to further develop coarse graining tools to efficiently study the large scale behavior of spin foam models, in particular for the EPRL/FK model.

  5. Measuring Crack Length in Coarse Grain Ceramics

    Salem, Jonathan A.; Ghosn, Louis J.

    2010-01-01

    Due to a coarse grain structure, crack lengths in precracked spinel specimens could not be measured optically, so the crack lengths and fracture toughness were estimated by strain gage measurements. An expression was developed via finite element analysis to correlate the measured strain with crack length in four-point flexure. The fracture toughness estimated by the strain gaged samples and another standardized method were in agreement.

  6. Coarse-Grained Model for Water Involving a Virtual Site.

    Deng, Mingsen; Shen, Hujun

    2016-02-04

    In this work, we propose a new coarse-grained (CG) model for water by combining the features of two popular CG water models (BMW and MARTINI models) as well as by adopting a topology similar to that of the TIP4P water model. In this CG model, a CG unit, representing four real water molecules, consists of a virtual site, two positively charged particles, and a van der Waals (vdW) interaction center. Distance constraint is applied to the bonds formed between the vdW interaction center and the positively charged particles. The virtual site, which carries a negative charge, is determined by the locations of the two positively charged particles and the vdW interaction center. For the new CG model of water, we coined the name "CAVS" (charge is attached to a virtual site) due to the involvment of the virtual site. After being tested in molecular dynamic (MD) simulations of bulk water at various time steps, under different temperatures and in different salt (NaCl) concentrations, the CAVS model offers encouraging predictions for some bulk properties of water (such as density, dielectric constant, etc.) when compared to experimental ones.

  7. Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach

    Trément, Sébastien; Rousseau, Bernard, E-mail: bernard.rousseau@u-psud.fr [Laboratoire de Chimie-Physique, UMR 8000 CNRS, Université Paris-Sud, Orsay (France); Schnell, Benoît; Petitjean, Laurent; Couty, Marc [Manufacture Française des Pneumatiques MICHELIN, Centre de Ladoux, 23 place des Carmes, 63000 Clermont-Ferrand (France)

    2014-04-07

    We apply operational procedures available in the literature to the construction of coarse-grained conservative and friction forces for use in dissipative particle dynamics (DPD) simulations. The full procedure rely on a bottom-up approach: large molecular dynamics trajectories of n-pentane and n-decane modeled with an anisotropic united atom model serve as input for the force field generation. As a consequence, the coarse-grained model is expected to reproduce at least semi-quantitatively structural and dynamical properties of the underlying atomistic model. Two different coarse-graining levels are studied, corresponding to five and ten carbon atoms per DPD bead. The influence of the coarse-graining level on the generated force fields contributions, namely, the conservative and the friction part, is discussed. It is shown that the coarse-grained model of n-pentane correctly reproduces self-diffusion and viscosity coefficients of real n-pentane, while the fully coarse-grained model for n-decane at ambient temperature over-predicts diffusion by a factor of 2. However, when the n-pentane coarse-grained model is used as a building block for larger molecule (e.g., n-decane as a two blobs model), a much better agreement with experimental data is obtained, suggesting that the force field constructed is transferable to large macro-molecular systems.

  8. Fine and coarse elemental components in the urban aerosol of Sao Paulo, Brazil

    Boueres, L.C.S.; Orsini, C.M.Q.

    1981-01-01

    Using cascade impactor sampling and PIXE analysis we have measured particle size distributions for approximately 15 elements in the Sao Paulo urban atmosphere. These elements, in our case, may be classified, according to their occurrence in fine or coarse aerosol log-normal modes, into three groups: (a) soil dust reference elements (coarse particle mode): Ti, Si and Ca; (b) anthropogenic fine particle mode: Zn, Br and Pb; and (c) mixed bimodal elements: S, K, V, Cr, Mn, Ni, Cu and Fe. All of the soil dust reference elements show consistently the log-normal parameters MMAD approx. 5.5 μm and sigmasub(g) approx. 3.2 (mass median aerodynamic diameter and geometric standard deviation, respectively). Enrichment factor calculations for Ti, Si, Ca and K in the coarse particle fraction (> 2 μmad), relative to Fe and the standard crustal aerosol values of Lawson and Winchester, show that Ti and Si are mainly soil derived while Ca and K may have significant industrial components in this particle fraction (i.e. coarse mode). The fine mode parameters for the other elements show variations with element suggesting different air pollution sources (such as motor vehicles, resuspended dust, refuse burning, industrial activities, etc.) and/or different chemical pathways, which presumably could be identifiable. For example, the modal parameters for group (b) are: Zn, MMAD = 0.9 μm, sigmasub(g) = 2.2; Br, MMAD = 0.5 μm, sigmasub(g) = 4.0; Pb, MMAD = 0.6 μm, sigmasub(g) = 3.0; thus suggesting a common source (automotive) for Br and Pb, unrelated to the source of Zn (possibly refuse burning). (orig.)

  9. Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

    Vögele, Martin; Holm, Christian; Smiatek, Jens

    2015-01-01

    We present simulations of aqueous polyelectrolyte complexes with new MARTINI models for the charged polymers poly(styrene sulfonate) and poly(diallyldimethylammonium). Our coarse-grained polyelectrolyte models allow us to study large length and long time scales with regard to chemical details and thermodynamic properties. The results are compared to the outcomes of previous atomistic molecular dynamics simulations and verify that electrostatic properties are reproduced by our MARTINI coarse-grained approach with reasonable accuracy. Structural similarity between the atomistic and the coarse-grained results is indicated by a comparison between the pair radial distribution functions and the cumulative number of surrounding particles. Our coarse-grained models are able to quantitatively reproduce previous findings like the correct charge compensation mechanism and a reduced dielectric constant of water. These results can be interpreted as the underlying reason for the stability of polyelectrolyte multilayers and complexes and validate the robustness of the proposed models

  10. Coarse-grained simulations of polyelectrolyte complexes: MARTINI models for poly(styrene sulfonate) and poly(diallyldimethylammonium)

    Vögele, Martin [Institute for Computational Physics, University of Stuttgart, Stuttgart (Germany); Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Frankfurt a. M. (Germany); Holm, Christian; Smiatek, Jens, E-mail: smiatek@icp.uni-stuttgart.de [Institute for Computational Physics, University of Stuttgart, Stuttgart (Germany)

    2015-12-28

    We present simulations of aqueous polyelectrolyte complexes with new MARTINI models for the charged polymers poly(styrene sulfonate) and poly(diallyldimethylammonium). Our coarse-grained polyelectrolyte models allow us to study large length and long time scales with regard to chemical details and thermodynamic properties. The results are compared to the outcomes of previous atomistic molecular dynamics simulations and verify that electrostatic properties are reproduced by our MARTINI coarse-grained approach with reasonable accuracy. Structural similarity between the atomistic and the coarse-grained results is indicated by a comparison between the pair radial distribution functions and the cumulative number of surrounding particles. Our coarse-grained models are able to quantitatively reproduce previous findings like the correct charge compensation mechanism and a reduced dielectric constant of water. These results can be interpreted as the underlying reason for the stability of polyelectrolyte multilayers and complexes and validate the robustness of the proposed models.

  11. Lagrangian multi-particle statistics

    Lüthi, Beat; Berg, Jacob; Ott, Søren

    2007-01-01

    Combined measurements of the Lagrangian evolution of particle constellations and the coarse-grained velocity derivative tensor. partial derivative(u) over tilde (i) /partial derivative x(j) are presented. The data are obtained from three-dimensional particle tracking measurements in a quasi isotr...

  12. Early deterioration of coarse woody debris.

    Tainter, Frank, H.; McMinn, James, W.

    1999-02-16

    Tainter, F.H., and J.W. McMinn. 1999. Early deterioration of coarse woody debris. In: Proc. Tenth Bien. South. Silv. Res. Conf. Shreveport, LA, February 16-18, 1999. Pp. 232-237 Abstract - Coarse woody debris (CWD) is an important structural component of southern forest ecosystems. CWD loading may be affected by different decomposition rates on sites of varying quality. Bolts of red oak and loblolly pine were placed on plots at each of three (hydric, mesic. and xerlc) sites at the Savannah River Site and sampled over a I6-week period. Major changes were in moisture content and nonstructural carbohydrate content (total carbohydrates, reducing sugars, and starch) of sapwood. Early changes in nonstructural carbohydrate levels following placement of the bolts were likely due to reallocation of these materials by sapwood parenchyma cells. These carbohydrates later formed pools increasingly metabolized by bacteria and invading fungi. Most prevalent fungi in sapwood were Ceratocysfis spp. in pine and Hypoxy/on spp. in oak. Although pine sapwood became blue stained and oak sapwood exhibited yellow soft decay with black zone lines, estimators of decay (specific gravity, sodium hydroxide solubility, and holocellulose content) were unchanged during the 16-week study period. A small effect of site was detected for starch content of sapwood of both species. Fungal biomass in sapwood of both species, as measured by ergosterol content, was detectable at week zero, increased somewhat by week three and increased significantly by week 16.

  13. Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology

    Padding, J T; Briels, W J

    2011-01-01

    For optimal processing and design of entangled polymeric materials it is important to establish a rigorous link between the detailed molecular composition of the polymer and the viscoelastic properties of the macroscopic melt. We review current and past computer simulation techniques and critically assess their ability to provide such a link between chemistry and rheology. We distinguish between two classes of coarse-graining levels, which we term coarse-grained molecular dynamics (CGMD) and coarse-grained stochastic dynamics (CGSD). In CGMD the coarse-grained beads are still relatively hard, thus automatically preventing bond crossing. This also implies an upper limit on the number of atoms that can be lumped together (up to five backbone carbon atoms) and therefore on the longest chain lengths that can be studied. To reach a higher degree of coarse-graining, in CGSD many more atoms are lumped together (more than ten backbone carbon atoms), leading to relatively soft beads. In that case friction and stochastic forces dominate the interactions, and action must be undertaken to prevent bond crossing. We also review alternative methods that make use of the tube model of polymer dynamics, by obtaining the entanglement characteristics through a primitive path analysis and by simulation of a primitive chain network. We finally review super-coarse-grained methods in which an entire polymer is represented by a single particle, and comment on ways to include memory effects and transient forces. (topical review)

  14. Path-space variational inference for non-equilibrium coarse-grained systems

    Harmandaris, Vagelis; Kalligiannaki, Evangelia; Katsoulakis, Markos; Plecháč, Petr

    2016-01-01

    In this paper we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular simulations. The latter are ubiquitous in physicochemical and biological applications, where they are typically associated with coupling mechanisms, multi-physics and/or boundary conditions. In general the non-equilibrium steady states are not known explicitly as they do not necessarily have a Gibbs structure. The presented approach can compare microscopic behavior of molecular systems to parametric and non-parametric coarse-grained models using the relative entropy between distributions on the path space and setting up a corresponding path-space variational inference problem. The methods can become entirely data-driven when the microscopic dynamics are replaced with corresponding correlated data in the form of time series. Furthermore, we present connections and generalizations of force matching methods in coarse-graining with path-space information methods. We demonstrate the enhanced transferability of information-based parameterizations to different observables, at a specific thermodynamic point, due to information inequalities. We discuss methodological connections between information-based coarse-graining of molecular systems and variational inference methods primarily developed in the machine learning community. However, we note that the work presented here addresses variational inference for correlated time series due to the focus on dynamics. The applicability of the proposed methods is demonstrated on high-dimensional stochastic processes given by overdamped and driven Langevin dynamics of interacting particles.

  15. Estimating the acute health effects of coarse particulate matter accounting for exposure measurement error.

    Chang, Howard H; Peng, Roger D; Dominici, Francesca

    2011-10-01

    In air pollution epidemiology, there is a growing interest in estimating the health effects of coarse particulate matter (PM) with aerodynamic diameter between 2.5 and 10 μm. Coarse PM concentrations can exhibit considerable spatial heterogeneity because the particles travel shorter distances and do not remain suspended in the atmosphere for an extended period of time. In this paper, we develop a modeling approach for estimating the short-term effects of air pollution in time series analysis when the ambient concentrations vary spatially within the study region. Specifically, our approach quantifies the error in the exposure variable by characterizing, on any given day, the disagreement in ambient concentrations measured across monitoring stations. This is accomplished by viewing monitor-level measurements as error-prone repeated measurements of the unobserved population average exposure. Inference is carried out in a Bayesian framework to fully account for uncertainty in the estimation of model parameters. Finally, by using different exposure indicators, we investigate the sensitivity of the association between coarse PM and daily hospital admissions based on a recent national multisite time series analysis. Among Medicare enrollees from 59 US counties between the period 1999 and 2005, we find a consistent positive association between coarse PM and same-day admission for cardiovascular diseases.

  16. Path-space variational inference for non-equilibrium coarse-grained systems

    Harmandaris, Vagelis, E-mail: harman@uoc.gr [Department of Mathematics and Applied Mathematics, University of Crete (Greece); Institute of Applied and Computational Mathematics (IACM), Foundation for Research and Technology Hellas (FORTH), IACM/FORTH, GR-71110 Heraklion (Greece); Kalligiannaki, Evangelia, E-mail: ekalligian@tem.uoc.gr [Department of Mathematics and Applied Mathematics, University of Crete (Greece); Katsoulakis, Markos, E-mail: markos@math.umass.edu [Department of Mathematics and Statistics, University of Massachusetts at Amherst (United States); Plecháč, Petr, E-mail: plechac@math.udel.edu [Department of Mathematical Sciences, University of Delaware, Newark, Delaware (United States)

    2016-06-01

    In this paper we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular simulations. The latter are ubiquitous in physicochemical and biological applications, where they are typically associated with coupling mechanisms, multi-physics and/or boundary conditions. In general the non-equilibrium steady states are not known explicitly as they do not necessarily have a Gibbs structure. The presented approach can compare microscopic behavior of molecular systems to parametric and non-parametric coarse-grained models using the relative entropy between distributions on the path space and setting up a corresponding path-space variational inference problem. The methods can become entirely data-driven when the microscopic dynamics are replaced with corresponding correlated data in the form of time series. Furthermore, we present connections and generalizations of force matching methods in coarse-graining with path-space information methods. We demonstrate the enhanced transferability of information-based parameterizations to different observables, at a specific thermodynamic point, due to information inequalities. We discuss methodological connections between information-based coarse-graining of molecular systems and variational inference methods primarily developed in the machine learning community. However, we note that the work presented here addresses variational inference for correlated time series due to the focus on dynamics. The applicability of the proposed methods is demonstrated on high-dimensional stochastic processes given by overdamped and driven Langevin dynamics of interacting particles.

  17. Local free energies for the coarse-graining of adsorption phenomena: The interacting pair approximation

    Pazzona, Federico G.; Pireddu, Giovanni; Gabrieli, Andrea; Pintus, Alberto M.; Demontis, Pierfranco

    2018-05-01

    We investigate the coarse-graining of host-guest systems under the perspective of the local distribution of pore occupancies, along with the physical meaning and actual computability of the coarse-interaction terms. We show that the widely accepted approach, in which the contributions to the free energy given by the molecules located in two neighboring pores are estimated through Monte Carlo simulations where the two pores are kept separated from the rest of the system, leads to inaccurate results at high sorbate densities. In the coarse-graining strategy that we propose, which is based on the Bethe-Peierls approximation, density-independent interaction terms are instead computed according to local effective potentials that take into account the correlations between the pore pair and its surroundings by means of mean-field correction terms without the need for simulating the pore pair separately. Use of the interaction parameters obtained this way allows the coarse-grained system to reproduce more closely the equilibrium properties of the original one. Results are shown for lattice-gases where the local free energy can be computed exactly and for a system of Lennard-Jones particles under the effect of a static confining field.

  18. Comparison of atomic-level and coarse-grained models for liquid hydrocarbons from molecular dynamics configurational entropy estimates

    Baron, R; de Vries, AH; Hunenberger, PH; van Gunsteren, WF

    2006-01-01

    Molecular liquids can be modeled at different levels of spatial resolution. In atomic-level (AL) models, all (heavy) atoms can be explicitly simulated. In coarse-grained (CG) models, particles (beads) that represent groups of covalently bound atoms are used as elementary units. Ideally, a CG model

  19. A new technique for online measurement of total and water-soluble copper (Cu) in coarse particulate matter (PM)

    Wang, Dongbin; Shafer, Martin M.; Schauer, James J.; Sioutas, Constantinos

    2015-01-01

    This study presents a novel system for online, field measurement of copper (Cu) in ambient coarse (2.5–10 μm) particulate matter (PM). This new system utilizes two virtual impactors combined with a modified liquid impinger (BioSampler) to collect coarse PM directly as concentrated slurry samples. The total and water-soluble Cu concentrations are subsequently measured by a copper Ion Selective Electrode (ISE). Laboratory evaluation results indicated excellent collection efficiency (over 85%) for particles in the coarse PM size ranges. In the field evaluations, very good agreements for both total and water-soluble Cu concentrations were obtained between online ISE-based monitor measurements and those analyzed by means of inductively coupled plasma mass spectrometry (ICP-MS). Moreover, the field tests indicated that the Cu monitor could achieve near-continuous operation for at least 6 consecutive days (a time resolution of 2–4 h) without obvious shortcomings. - Highlights: • A novel only PM sampling and Cu measuring technology is developed. • Very good particle collection efficiency for coarse PM is observed. • Excellent agreement is obtained between Cu ISE and offline ICP-MS measurements. • The new system can be continuously operated for at least 6 consecutive days. - A new technique for online measurements of Cu in coarse PM is described

  20. Testing for entanglement with periodic coarse graining

    Tasca, D. S.; Rudnicki, Łukasz; Aspden, R. S.; Padgett, M. J.; Souto Ribeiro, P. H.; Walborn, S. P.

    2018-04-01

    Continuous-variable systems find valuable applications in quantum information processing. To deal with an infinite-dimensional Hilbert space, one in general has to handle large numbers of discretized measurements in tasks such as entanglement detection. Here we employ the continuous transverse spatial variables of photon pairs to experimentally demonstrate entanglement criteria based on a periodic structure of coarse-grained measurements. The periodization of the measurements allows an efficient evaluation of entanglement using spatial masks acting as mode analyzers over the entire transverse field distribution of the photons and without the need to reconstruct the probability densities of the conjugate continuous variables. Our experimental results demonstrate the utility of the derived criteria with a success rate in entanglement detection of ˜60 % relative to 7344 studied cases.

  1. Field description of coarse bioclastic fabrics

    Kidwell, S.M.; Holland, S.M. (Univ. of Chicago, IL (United States))

    1991-08-01

    Shell- and bone-bearing rocks can be readily categorized into 9 macroscopic fabric types using semi-quantitative scales for close-packing and size-sorting of bioclasts greater than 2 mm in diameter. Although designed to describe fossiliferous siliciclastics and volcaniclastics, this system of field description can also be used to enlarge upon standard petrographic descriptions of fossiliferous carbonates. In cross-sectional bed views, coarse bioclasts may be densely packed. These coarse bioclasts (>2 mm) may be well sorted (central 80% of bioclasts lie within 1 or 2 adjacent phi size-classes), bimodal (well sorted but with a distinct second mode), or poorly sorted (central 80% of bioclasts distributed over 3 or more adjacent size-classes). Despite the complicating effects of bioclast shape, novices show 90% accuracy in estimating close-packing from photographs. They have only 60% accuracy in estimating size-sorting (the most common error is underestimating goodness of sorting), underscoring the importance of size-tallies to cross-check visual estimates when first using this scheme. This packing/sorting approach provides a good visual image of the fabric, and narrows the range of possible modes of origin more than alternative criteria such as volumetric percent-abundance (which shows no one-to-one equivalence with close-packing), orientation, and fragmentation. However, detailed interpretations of fabrics usually require more information on these and other features of the deposit, including bioclast condition, associated sedimentary structures, life-habits of bioclast-producers, and stratigraphic context.

  2. Experimental Study on Ultrafine Particle Removal Performance of Portable Air Cleaners with Different Filters in an Office Room

    Huan Ma

    2016-01-01

    Full Text Available Size- and time-dependent aerodynamic behaviors of indoor particles, including PM1.0, were evaluated in a school office in order to test the performance of air-cleaning devices using different filters. In-situ real-time measurements were taken using an optical particle counter. The filtration characteristics of filter media, including single-pass efficiency, volume and effectiveness, were evaluated and analyzed. The electret filter (EE medium shows better initial removal efficiency than the high efficiency (HE medium in the 0.3–3.5 μm particle size range, while under the same face velocity, the filtration resistance of the HE medium is several times higher than that of the EE medium. During service life testing, the efficiency of the EE medium decreased to 60% with a total purifying air flow of 25 × 104 m3/m2. The resistance curve rose slightly before the efficiency reached the bottom, and then increased almost exponentially. The single-pass efficiency of portable air cleaner (PAC with the pre-filter (PR or the active carbon granule filter (CF was relatively poor. While PAC with the pre-filter and the high efficiency filter (PR&HE showed maximum single-pass efficiency for PM1.0 (88.6%, PAC with the HE was the most effective at removing PM1.0. The enhancement of PR with HE and electret filters augmented the single-pass efficiency, but lessened the airflow rate and effectiveness. Combined with PR, the decay constant of large-sized particles could be greater than for PACs without PR. Without regard to the lifetime, the electret filters performed better with respect to resource saving and purification improvement. A most penetrating particle size range (MPPS: 0.4–0.65 μm exists in both HE and electret filters; the MPPS tends to become larger after HE and electret filters are combined with PR. These results serve to provide a better understanding of the indoor particle removal performance of PACs when combined with different kinds of filters in

  3. Significant influence of fungi on coarse carbonaceous and potassium aerosols in a tropical rainforest

    Zhang, Zhisheng; Tao, Jun; Engling, Guenter; Zhang, Leiming; Kawamura, Kimitaka; Yang, Yihong; Zhang, Renjian; Chan, Chuen-yu; Li, Yide

    2015-01-01

    Fungal spores are ubiquitous in the Earth’s atmosphere, especially in the environment of tropical rainforests with intense biological activities. To assess the impact of fungi on chemical components of atmospheric aerosols at a Chinese tropical rainforest site, size-segregated fungal spore tracers (i.e. arabitol and mannitol) were measured along with major aerosol components, including carbonaceous species and water-soluble inorganic ions. The fungal spore tracers were found to be predominately associated with coarse particles, in which organic carbon (OC) and potassium (K + ) were also present at significant levels. Enhanced amounts of fungal spore tracers were closely linked to rainfall events. Moreover, fungal spore tracers exhibited positive correlations with relative humidity and negative correlations with wind speed, temperature or radiation. The relationships between fungal spore tracers and meteorological factors are consistent with the emission features of actively discharged fungal spores, which are generally associated with sugar alcohols and by-products such as the inorganic ion K + . The excellent correlations between fungal spore tracers and OC or K + in the coarse particles further suggested their common emission sources. Absolute principal factor analysis further identified fungi as the largest contributor to coarse OC and K + (both at ∼66%) in this rainforest. (letter)

  4. Single Particulate SEM-EDX Analysis of Iron-Containing Coarse Particulate Matter in an Urban Environment: Sources and Distribution of Iron within Cleveland, Ohio

    The physicochemical properties of coarse-mode, iron-containing particles, and their temporal and spatial distributions are poorly understood. Single particle analysis combining x-ray elemental mapping and computer-controlled scanning electron microscopy (CCSEM-EDX) of passively ...

  5. Coarse-grained simulation of polymer-filler blends

    Legters, Gregg; Kuppa, Vikram; Beaucage, Gregory; Univ of Dayton Collaboration; Univ of Cincinnati Collaboration

    The practical use of polymers often relies on additives that improve the property of the mixture. Examples of such complex blends include tires, pigments, blowing agents and other reactive additives in thermoplastics, and recycled polymers. Such systems usually exhibit a complex partitioning of the components. Most prior work has either focused on fine-grained details such as molecular modeling of chains at interfaces, or on coarse, heuristic, trial-and-error approaches to compounding (eg: tire industry). Thus, there is a significant gap in our understanding of how complex hierarchical structure (across several decades in length) develops in these multicomponent systems. This research employs dissipative particle thermodynamics in conjunction with a pseudo-thermodynamic parameter derived from scattering experiments to represent polymer-filler interactions. DPD simulations will probe how filler dispersion and hierarchical morphology develops in these complex blends, and are validated against experimental (scattering) data. The outcome of our approach is a practical solution to compounding issues, based on a mutually validating experimental and simulation methodology. Support from the NSF (CMMI-1636036/1635865) is gratefully acknowledged.

  6. Coarse-graining to the meso and continuum scales with molecular-dynamics-like models

    Plimpton, Steve

    Many engineering-scale problems that industry or the national labs try to address with particle-based simulations occur at length and time scales well beyond the most optimistic hopes of traditional coarse-graining methods for molecular dynamics (MD), which typically start at the atomic scale and build upward. However classical MD can be viewed as an engine for simulating particles at literally any length or time scale, depending on the models used for individual particles and their interactions. To illustrate I'll highlight several coarse-grained (CG) materials models, some of which are likely familiar to molecular-scale modelers, but others probably not. These include models for water droplet freezing on surfaces, dissipative particle dynamics (DPD) models of explosives where particles have internal state, CG models of nano or colloidal particles in solution, models for aspherical particles, Peridynamics models for fracture, and models of granular materials at the scale of industrial processing. All of these can be implemented as MD-style models for either soft or hard materials; in fact they are all part of our LAMMPS MD package, added either by our group or contributed by collaborators. Unlike most all-atom MD simulations, CG simulations at these scales often involve highly non-uniform particle densities. So I'll also discuss a load-balancing method we've implemented for these kinds of models, which can improve parallel efficiencies. From the physics point-of-view, these models may be viewed as non-traditional or ad hoc. But because they are MD-style simulations, there's an opportunity for physicists to add statistical mechanics rigor to individual models. Or, in keeping with a theme of this session, to devise methods that more accurately bridge models from one scale to the next.

  7. Separating particles from a liquid

    Leslie, C.M.; Watson, J.H.P.; Williams, J.A.

    1980-01-01

    An apparatus for separating particles suspended in a liquid from the liquid, is described, in which a flow of the liquid is passed through a filter bed of ferromagnetic bodies which acts as a coarse filter to trap the larger particles in the flow. The filter bed is arranged within a truncated core between the poles of an electromagnet. To cleanse the bed and flush out the trapped particles a wash liquid is passed through the bed and the electromagnet is energised to levitate the bed to allow the wash liquid to remove the particles. The liquid flow from the coarse filter can be passed to a high gradient magnetic separator at which remaining small particles in the flow are filtered magnetically. (U.K.)

  8. Modelling the fine and coarse fraction of heavy metals in Spain

    García Vivanco, Marta; González, M. Angeles

    2014-05-01

    Heavy metals, such as cadmium, lead, nickel, arsenic, copper, chrome, zinc and selenium, are present in the air due to natural and anthropogenic emissions, normally joined to particles. These metals can affect life organisms via inhalation or ingestion, causing damages in human health and ecosystems. Small particles are inhaled and embebed in lungs and alveolus more easily than coarse particles. The CHIMERE model is a eulerian air quality model extensively used in air quality modelling. Metals have been recently included in this model in a special version developed in the CIEMAT (Madrid, Spain) modelling group. Vivanco et al. (2011) and González et al. (2012) showed the model performance for some metals in Spain and Europe. However, in these studies, metals were considered as fine particles. Some studies based on observed heavy metals air concentration indicate the presence of metals also in the coarse fraction, in special for Cu and Zn. For this reason, a new attempt of modelling metals considering a fine (Arsenic, Lead, Cadmium and Nickel Ambient Air Concentrations in Spain, 2011. Proceedings of the 11 th International Conference on Computational Science and Its Applications (ICCSA 11) 243-246 - González, Ma Vivanco, Marta; Palomino, Inmaculada; Garrido, Juan; Santiago, Manuel; Bessagnet, Bertrand Modelling Some Heavy Metals Air Concentration in Europe. // Water, Air & Soil Pollution;Sep2012, Vol. 223 Issue 8, p5227

  9. Coarsely resolved topography along protein folding pathways

    Fernández, Ariel; Kostov, Konstantin S.; Berry, R. Stephen

    2000-03-01

    The kinetic data from the coarse representation of polypeptide torsional dynamics described in the preceding paper [Fernandez and Berry, J. Chem. Phys. 112, 5212 (2000), preceding paper] is inverted by using detailed balance to obtain a topographic description of the potential-energy surface (PES) along the dominant folding pathway of the bovine pancreatic trypsin inhibitor (BPTI). The topography is represented as a sequence of minima and effective saddle points. The dominant folding pathway displays an overall monotonic decrease in energy with a large number of staircaselike steps, a clear signature of a good structure-seeker. The diversity and availability of alternative folding pathways is analyzed in terms of the Shannon entropy σ(t) associated with the time-dependent probability distribution over the kinetic ensemble of contact patterns. Several stages in the folding process are evident. Initially misfolded states form and dismantle revealing no definite pattern in the topography and exhibiting high Shannon entropy. Passage down a sequence of staircase steps then leads to the formation of a nativelike intermediate, for which σ(t) is much lower and fairly constant. Finally, the structure of the intermediate is refined to produce the native state of BPTI. We also examine how different levels of tolerance to mismatches of side chain contacts influence the folding kinetics, the topography of the dominant folding pathway, and the Shannon entropy. This analysis yields upper and lower bounds of the frustration tolerance required for the expeditious and robust folding of BPTI.

  10. Coarse-Grained Modeling of Polyelectrolyte Solutions

    Denton, Alan R.; May, Sylvio

    2014-03-01

    Ionic mixtures, such as electrolyte and polyelectrolyte solutions, have attracted much attention recently for their rich and challenging combination of electrostatic and non-electrostatic interparticle forces and their practical importance, from battery technologies to biological systems. Hydration of ions in aqueous solutions is known to entail ion-specific effects, including variable solubility of organic molecules, as manifested in the classic Hofmeister series for salting-in and salting-out of proteins. The physical mechanism by which the solvent (water) mediates effective interactions between ions, however, is still poorly understood. Starting from a microscopic model of a polyelectrolyte solution, we apply a perturbation theory to derive a coarse-grained model of ions interacting through both long-range electrostatic and short-range solvent-induced pair potentials. Taking these effective interactions as input to molecular dynamics simulations, we calculate structural and thermodynamic properties of aqueous ionic solutions. This work was supported by the National Science Foundation under Grant No. DMR-1106331.

  11. De Sitter stability and coarse graining

    Markkanen, T.

    2018-01-01

    We present a 4-dimensional back reaction analysis of de Sitter space for a conformally coupled scalar field in the presence of vacuum energy initialized in the Bunch-Davies vacuum. In contrast to the usual semi-classical prescription, as the source term in the Friedmann equations we use expectation values where the unobservable information hidden by the cosmological event horizon has been neglected i.e. coarse grained over. It is shown that in this approach the energy-momentum is precisely thermal with constant temperature despite the dilution from the expansion of space due to a flux of energy radiated from the horizon. This leads to a self-consistent solution for the Hubble rate, which is gradually evolving and at late times deviates significantly from de Sitter. Our results hence imply de Sitter space to be unstable in this prescription. The solution also suggests dynamical vacuum energy: the continuous flux of energy is balanced by the generation of negative vacuum energy, which accumulatively decreases the overall contribution. Finally, we show that our results admit a thermodynamic interpretation which provides a simple alternate derivation of the mechanism. For very long times the solutions coincide with flat space. (orig.)

  12. De Sitter stability and coarse graining

    Markkanen, T. [Imperial College London, Department of Physics, London (United Kingdom); King' s College London, Department of Physics, London (United Kingdom)

    2018-02-15

    We present a 4-dimensional back reaction analysis of de Sitter space for a conformally coupled scalar field in the presence of vacuum energy initialized in the Bunch-Davies vacuum. In contrast to the usual semi-classical prescription, as the source term in the Friedmann equations we use expectation values where the unobservable information hidden by the cosmological event horizon has been neglected i.e. coarse grained over. It is shown that in this approach the energy-momentum is precisely thermal with constant temperature despite the dilution from the expansion of space due to a flux of energy radiated from the horizon. This leads to a self-consistent solution for the Hubble rate, which is gradually evolving and at late times deviates significantly from de Sitter. Our results hence imply de Sitter space to be unstable in this prescription. The solution also suggests dynamical vacuum energy: the continuous flux of energy is balanced by the generation of negative vacuum energy, which accumulatively decreases the overall contribution. Finally, we show that our results admit a thermodynamic interpretation which provides a simple alternate derivation of the mechanism. For very long times the solutions coincide with flat space. (orig.)

  13. Thermodynamic forces in coarse-grained simulations

    Noid, William

    Atomically detailed molecular dynamics simulations have profoundly advanced our understanding of the structure and interactions in soft condensed phases. Nevertheless, despite dramatic advances in the methodology and resources for simulating atomically detailed models, low-resolution coarse-grained (CG) models play a central and rapidly growing role in science. CG models not only empower researchers to investigate phenomena beyond the scope of atomically detailed simulations, but also to precisely tailor models for specific phenomena. However, in contrast to atomically detailed simulations, which evolve on a potential energy surface, CG simulations should evolve on a free energy surface. Therefore, the forces in CG models should reflect the thermodynamic information that has been eliminated from the CG configuration space. As a consequence of these thermodynamic forces, CG models often demonstrate limited transferability and, moreover, rarely provide an accurate description of both structural and thermodynamic properties. In this talk, I will present a framework that clarifies the origin and impact of these thermodynamic forces. Additionally, I will present computational methods for quantifying these forces and incorporating their effects into CG MD simulations. As time allows, I will demonstrate applications of this framework for liquids, polymers, and interfaces. We gratefully acknowledge the support of the National Science Foundation via CHE 1565631.

  14. ASSIMILATION OF COARSE-SCALEDATAUSINGTHE ENSEMBLE KALMAN FILTER

    Efendiev, Yalchin

    2011-01-01

    Reservoir data is usually scale dependent and exhibits multiscale features. In this paper we use the ensemble Kalman filter (EnKF) to integrate data at different spatial scales for estimating reservoir fine-scale characteristics. Relationships between the various scales is modeled via upscaling techniques. We propose two versions of the EnKF to assimilate the multiscale data, (i) where all the data are assimilated together and (ii) the data are assimilated sequentially in batches. Ensemble members obtained after assimilating one set of data are used as a prior to assimilate the next set of data. Both of these versions are easily implementable with any other upscaling which links the fine to the coarse scales. The numerical results with different methods are presented in a twin experiment setup using a two-dimensional, two-phase (oil and water) flow model. Results are shown with coarse-scale permeability and coarse-scale saturation data. They indicate that additional data provides better fine-scale estimates and fractional flow predictions. We observed that the two versions of the EnKF differed in their estimates when coarse-scale permeability is provided, whereas their results are similar when coarse-scale saturation is used. This behavior is thought to be due to the nonlinearity of the upscaling operator in the case of the former data. We also tested our procedures with various precisions of the coarse-scale data to account for the inexact relationship between the fine and coarse scale data. As expected, the results show that higher precision in the coarse-scale data yielded improved estimates. With better coarse-scale modeling and inversion techniques as more data at multiple coarse scales is made available, the proposed modification to the EnKF could be relevant in future studies.

  15. Particle size and chemical constituents of ambient particulate pollution associated with cardiovascular mortality in Guangzhou, China

    Lin, Hualiang; Tao, Jun; Du, Yaodong; Liu, Tao; Qian, Zhengmin; Tian, Linwei; Di, Qian; Rutherford, Shannon; Guo, Lingchuan; Zeng, Weilin; Xiao, Jianpeng; Li, Xing; He, Zhihui; Xu, Yanjun; Ma, Wenjun

    2016-01-01

    Though significant associations between particulate matter (PM) air pollution and cardiovascular diseases have been widely reported, it remains unclear what characteristics, such as particle size and chemical constituents, may be responsible for the effects. A time-series model was applied to examine the cardiovascular effects of particle size (for the period of 2009–2011) and chemical constituents (2007–2010) in Guangzhou, we controlled for potential confounders in the model, such as time trends, day of the week, public holidays, meteorological factors and influenza epidemic. We found significant associations of cardiovascular mortality with PM_1_0, PM_2_._5 and PM_1; the excess risk (ER) was 6.10% (95% CI: 1.76%, 10.64%), 6.11% (95% CI: 1.76%, 10.64%) and 6.48% (95% CI: 2.10%, 11.06%) for per IQR increase in PM_1_0, PM_2_._5 and PM_1 at moving averages for the current day and the previous 3 days (lag_0_3), respectively. We did not find significant effects of PM_2_._5_-_1_0 and PM_1_-_2_._5. For PM_2_._5 constituents, we found that organic carbon, elemental carbon, sulfate, nitrate and ammonium were significantly associated with cardiovascular mortality, the corresponding ER for an IQR concentration increase at lag_0_3 was 1.13% (95% CI: 0.10%, 2.17%), 2.77% (95% CI: 0.72%, 4.86%), 2.21% (95% CI: 1.05%, 3.38%), 1.98% (95% CI: 0.54%, 3.44%), and 3.38% (95% CI: 1.56%, 5.23%), respectively. These results were robust to adjustment of other air pollutants and they remained consistent in various sensitivity analyses by changing model parameters. Our study suggests that PM_1 and constituents from combustion and secondary aerosols might be important characteristics of PM pollution associated with cardiovascular mortality in Guangzhou. - Highlights: • PM_1_0, PM_2_._5 and PM_1 were significantly associated with cardiovascular mortality. • We did not find significant cardiovascular effects of PM_2_._5_-_1_0 and PM_1_-_2_._5. • PM_1 might be most responsible for

  16. Non-Galerkin Coarse Grids for Algebraic Multigrid

    Falgout, Robert D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Schroder, Jacob B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-06-26

    Algebraic multigrid (AMG) is a popular and effective solver for systems of linear equations that arise from discretized partial differential equations. And while AMG has been effectively implemented on large scale parallel machines, challenges remain, especially when moving to exascale. Particularly, stencil sizes (the number of nonzeros in a row) tend to increase further down in the coarse grid hierarchy, and this growth leads to more communication. Therefore, as problem size increases and the number of levels in the hierarchy grows, the overall efficiency of the parallel AMG method decreases, sometimes dramatically. This growth in stencil size is due to the standard Galerkin coarse grid operator, $P^T A P$, where $P$ is the prolongation (i.e., interpolation) operator. For example, the coarse grid stencil size for a simple three-dimensional (3D) seven-point finite differencing approximation to diffusion can increase into the thousands on present day machines, causing an associated increase in communication costs. We therefore consider algebraically truncating coarse grid stencils to obtain a non-Galerkin coarse grid. First, the sparsity pattern of the non-Galerkin coarse grid is determined by employing a heuristic minimal “safe” pattern together with strength-of-connection ideas. Second, the nonzero entries are determined by collapsing the stencils in the Galerkin operator using traditional AMG techniques. The result is a reduction in coarse grid stencil size, overall operator complexity, and parallel AMG solve phase times.

  17. Dynamics of Coarse-grained Model of Filled Rubber Composite under Deformation

    Hagita, Katsumi; Ueno, Shinichi; Bito, Yasumasa; Takano, Hiroshi; Doi, Masao; Morita, Hiroshi

    2010-03-01

    We presented a result of coarse-grained Molecular Dynamics simulation of filled polymer melts with Sulfur-crosslink under deformation based on the Kremer-Grest Model. Because all polymer chains are connected to one network gel, the size of simulation box under periodic boundary conditions (PBC) is set to about 33nm. We put 4 fillers, 80 polymer chains of 1024 particles, and many crosslink into the PBC box. One filler consists of 1280 particles of the C1280 fullerene structure. A repulsive force from the center of the filler is applied to the particles of C1280 in order to make a sphere whose diameter is about 15nm. Some patterns of distribution of the fillers are examined. The stress-strain curves estimated by applying a deformation to the system in simulations qualitatively agree with those in experiments. It is successful to show hysteresis on the S-S curve between elongation / release of the filled rubber.

  18. Removal of micropollutants with coarse-ground activated carbon for enhanced separation with hydrocyclone classifiers.

    Otto, N; Platz, S; Fink, T; Wutscherk, M; Menzel, U

    2016-01-01

    One key technology to eliminate organic micropollutants (OMP) from wastewater effluent is adsorption using powdered activated carbon (PAC). To avoid a discharge of highly loaded PAC particles into natural water bodies a separation stage has to be implemented. Commonly large settling tanks and flocculation filters with the application of coagulants and flocculation aids are used. In this study, a multi-hydrocyclone classifier with a downstream cloth filter has been investigated on a pilot plant as a space-saving alternative with no need for a dosing of chemical additives. To improve the separation, a coarser ground PAC type was compared to a standard PAC type with regard to elimination results of OMP as well as separation performance. With a PAC dosing rate of 20 mg/l an average of 64.7 wt% of the standard PAC and 79.5 wt% of the coarse-ground PAC could be separated in the hydrocyclone classifier. A total average separation efficiency of 93-97 wt% could be reached with a combination of both hydrocyclone classifier and cloth filter. Nonetheless, the OMP elimination of the coarse-ground PAC was not sufficient enough to compete with the standard PAC. Further research and development is necessary to find applicable coarse-grained PAC types with adequate OMP elimination capabilities.

  19. Urban particle size distributions during two contrasting dust events originating from Taklimakan and Gobi Deserts

    Zhao, Suping; Yu, Ye; Xia, Dunsheng; Yin, Daiying; He, Jianjun; Liu, Na; Li, Fang

    2015-01-01

    The dust origins of the two events were identified using HYSPLIT trajectory model and MODIS and CALIPSO satellite data to understand the particle size distribution during two contrasting dust events originated from Taklimakan and Gobi deserts. The supermicron particles significantly increased during the dust events. The dust event from Gobi desert affected significantly on the particles larger than 2.5 μm, while that from Taklimakan desert impacted obviously on the particles in 1.0–2.5 μm. It is found that the particle size distributions and their modal parameters such as VMD (volume median diameter) have significant difference for varying dust origins. The dust from Taklimakan desert was finer than that from Gobi desert also probably due to other influencing factors such as mixing between dust and urban emissions. Our findings illustrated the capacity of combining in situ, satellite data and trajectory model to characterize large-scale dust plumes with a variety of aerosol parameters. - Highlights: • Dust particle size distributions had large differences for varying origins. • Dust originating from Taklimakan Desert was finer than that from Gobi Desert. • Effect of dust on the supermicron particles was obvious. • PM_1_0 concentrations increased by a factor of 3.4–25.6 during the dust event. - Dust particle size distributions had large differences for varying origins, which may be also related to other factors such as mixing between dust and urban emissions.

  20. Transferable coarse-grained model for perfluorosulfonic acid polymer membranes

    Kuo, An-Tsung; Okazaki, Susumu; Shinoda, Wataru

    2017-09-01

    Perfluorosulfonic acid (PFSA) polymer membranes are widely used as proton exchange membranes. Because the structure of the aqueous domain within the PFSA membrane is expected to directly influence proton conductance, many coarse-grained (CG) simulation studies have been performed to investigate the membrane morphology; these studies mostly used phenomenological models, such as dissipative particle dynamics. However, a chemically accurate CG model is required to investigate the morphology in realistic membranes and to provide a concrete molecular design. Here, we attempt to construct a predictive CG model for the structure and morphology of PFSA membranes that is compatible with the Sinoda-DeVane-Klein (SDK) CG water model [Shinoda et al., Mol. Simul. 33, 27 (2007)]. First, we extended the parameter set for the SDK CG force field to examine a hydrated PFSA membrane based on thermodynamic and structural data from experiments and all-atom (AA) molecular dynamics (MD) simulations. However, a noticeable degradation of the morphology motivated us to improve the structural properties by using the iterative Boltzmann inversion (IBI) approach. Thus, we explored a possible combination of the SDK and IBI approaches to describe the nonbonded interaction. The hybrid SDK/IBI model improved the structural issues of SDK, showing a better agreement with AA-MD in the radial distribution functions. The hybrid SDK/IBI model was determined to reasonably reproduce both the thermodynamic and structural properties of the PFSA membrane for all examined water contents. In addition, the model demonstrated good transferability and has considerable potential for application to realistic long-chained PFSA membranes.

  1. Revised Soil Classification System for Coarse-Fine Mixtures

    Park, Junghee; Santamarina, Carlos

    2017-01-01

    Soil classification systems worldwide capture great physical insight and enable geotechnical engineers to anticipate the properties and behavior of soils by grouping them into similar response categories based on their index properties. Yet gravimetric analysis and data trends summarized from published papers reveal critical limitations in soil group boundaries adopted in current systems. In particular, current classification systems fail to capture the dominant role of fines on the mechanical and hydraulic properties of soils. A revised soil classification system (RSCS) for coarse-fine mixtures is proposed herein. Definitions of classification boundaries use low and high void ratios that gravel, sand, and fines may attain. This research adopts emax and emin for gravels and sands, and three distinctive void ratio values for fines: soft eF|10  kPa and stiff eF|1  MPa for mechanical response (at effective stress 10 kPa and 1 MPa, respectively), and viscous λ⋅eF|LL for fluid flow control, where λ=2log(LL−25) and eF|LL is the void ratio at the liquid limit. For classification purposes, these void ratios can be estimated from index properties such as particle shape, the coefficient of uniformity, and the liquid limit. Analytically computed and data-adjusted boundaries are soil-specific, in contrast with the Unified Soil Classification System (USCS). Threshold fractions for mechanical control and for flow control are quite distinct in the proposed system. Therefore, the RSCS uses a two-name nomenclature whereby the first letters identify the component(s) that controls mechanical properties, followed by a letter (shown in parenthesis) that identifies the component that controls fluid flow. Sample charts in this paper and a Microsoft Excel facilitate the implementation of this revised classification system.

  2. Revised Soil Classification System for Coarse-Fine Mixtures

    Park, Junghee

    2017-04-17

    Soil classification systems worldwide capture great physical insight and enable geotechnical engineers to anticipate the properties and behavior of soils by grouping them into similar response categories based on their index properties. Yet gravimetric analysis and data trends summarized from published papers reveal critical limitations in soil group boundaries adopted in current systems. In particular, current classification systems fail to capture the dominant role of fines on the mechanical and hydraulic properties of soils. A revised soil classification system (RSCS) for coarse-fine mixtures is proposed herein. Definitions of classification boundaries use low and high void ratios that gravel, sand, and fines may attain. This research adopts emax and emin for gravels and sands, and three distinctive void ratio values for fines: soft eF|10  kPa and stiff eF|1  MPa for mechanical response (at effective stress 10 kPa and 1 MPa, respectively), and viscous λ⋅eF|LL for fluid flow control, where λ=2log(LL−25) and eF|LL is the void ratio at the liquid limit. For classification purposes, these void ratios can be estimated from index properties such as particle shape, the coefficient of uniformity, and the liquid limit. Analytically computed and data-adjusted boundaries are soil-specific, in contrast with the Unified Soil Classification System (USCS). Threshold fractions for mechanical control and for flow control are quite distinct in the proposed system. Therefore, the RSCS uses a two-name nomenclature whereby the first letters identify the component(s) that controls mechanical properties, followed by a letter (shown in parenthesis) that identifies the component that controls fluid flow. Sample charts in this paper and a Microsoft Excel facilitate the implementation of this revised classification system.

  3. Property A and Coarse Embedding for Locally Compact Groups

    Li, Kang

    property A. In a joint work with Knudby, we characterize the connected simple Lie groups with the discrete topology that have different approximation properties (see Article B). Moreover, we give a contractive Schur multiplier characterization of locally compact groups coarsely embeddable into Hilbert......In the study of the Novikov conjecture, property A and coarse embedding of metric spaces were introduced by Yu and Gromov, respectively. The main topic of the thesis is property A and coarse embedding for locally compact second countable groups. We prove that many of the results that are known...... to hold in the discrete setting, hold also in the locally compact setting.In a joint work with Deprez, we show that property A is equivalent to amenability at infinity and the strong Novikov conjecture is true for every locally compact group that embeds coarsely into a Hilbert space (see Article A...

  4. Comparison of coarse-grained (MARTINI) and atomistic molecular ...

    Rajat Desikan

    as the root mean square deviation (RMSD) histograms and the inner pore radius profiles from ... ever coarse-grained simulations of membrane-proteins ..... from the MARTINI simulations show greater fluctuations than the all-atom simulations.

  5. Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

    Kalligiannaki, Evangelia; Harmandaris, Vagelis; Katsoulakis, Markos A.; Plechac, Petr

    2015-01-01

    We study the application of information theoretic tools for model reduction in the case of systems driven by stochastic dynamics out of equilibrium. The model/dimension reduction is considered by proposing parametrized coarse grained dynamics

  6. Nonlinear Multigrid solver exploiting AMGe Coarse Spaces with Approximation Properties

    Christensen, Max la Cour; Villa, Umberto; Engsig-Karup, Allan Peter

    The paper introduces a nonlinear multigrid solver for mixed finite element discretizations based on the Full Approximation Scheme (FAS) and element-based Algebraic Multigrid (AMGe). The main motivation to use FAS for unstructured problems is the guaranteed approximation property of the AMGe coarse...... properties of the coarse spaces. With coarse spaces with approximation properties, our FAS approach on unstructured meshes has the ability to be as powerful/successful as FAS on geometrically refined meshes. For comparison, Newton’s method and Picard iterations with an inner state-of-the-art linear solver...... are compared to FAS on a nonlinear saddle point problem with applications to porous media flow. It is demonstrated that FAS is faster than Newton’s method and Picard iterations for the experiments considered here. Due to the guaranteed approximation properties of our AMGe, the coarse spaces are very accurate...

  7. Coarse-mesh rebalancing acceleration for eigenvalue problems

    Asaoka, T.; Nakahara, Y.; Miyasaka, S.

    1974-01-01

    The coarse-mesh rebalance method is adopted for Monte Carlo schemes for aiming at accelerating the convergence of a source iteration process. At every completion of the Monte Carlo game for one batch of neutron histories, the scaling factor for the neutron flux is calculated to achieve the neutron balance in each coarse-mesh zone into which the total system is divided. This rebalance factor is multiplied to the weight of each fission source neutron in the coarse-mesh zone for playing the next Monte Carlo game. The numerical examples have shown that the coarse-mesh rebalance Monte Carlo calculation gives a good estimate of the eigenvalue already after several batches with a negligible extra computer time compared to the standard Monte Carlo. 5 references. (U.S.)

  8. Recycled tires as coarse aggregate in concrete pavement mixtures.

    2013-07-01

    The reuse potential of tire chips as coarse aggregates in pavement concrete was examined in this research by : investigating the effects of low- and high-volume tire chips on fresh and hardened concrete properties. One concrete : control mixture was ...

  9. Two-level method with coarse space size independent convergence

    Vanek, P.; Brezina, M. [Univ. of Colorado, Denver, CO (United States); Tezaur, R.; Krizkova, J. [UWB, Plzen (Czech Republic)

    1996-12-31

    The basic disadvantage of the standard two-level method is the strong dependence of its convergence rate on the size of the coarse-level problem. In order to obtain the optimal convergence result, one is limited to using a coarse space which is only a few times smaller than the size of the fine-level one. Consequently, the asymptotic cost of the resulting method is the same as in the case of using a coarse-level solver for the original problem. Today`s two-level domain decomposition methods typically offer an improvement by yielding a rate of convergence which depends on the ratio of fine and coarse level only polylogarithmically. However, these methods require the use of local subdomain solvers for which straightforward application of iterative methods is problematic, while the usual application of direct solvers is expensive. We suggest a method diminishing significantly these difficulties.

  10. Estimating the shear strength of concrete with coarse aggregate replacement

    Folagbade Olusoga Peter ORIOLA; George MOSES; Jacob Oyeniyi AFOLAYAN; John Engbonye SANI

    2017-01-01

    For economic, environmental and practical reasons, it is desirable to replace the constituents of concrete with wastes and cheaper alternative materials. However, it is best when such replacements are done at optimum replacement levels. In view of this, a laboratory investigative test was carried out to evaluate the shear strength of concrete with coarse aggregate replacement by Coconut Shell and by Waste Rubber Tyre. The coarse aggregate replacement was done at recommended optimum proportion...

  11. An Evaluation of Coarse-Grained Locking for Multicore Microkernels

    Elphinstone, Kevin; Zarrabi, Amirreza; Danis, Adrian; Shen, Yanyan; Heiser, Gernot

    2016-01-01

    The trade-off between coarse- and fine-grained locking is a well understood issue in operating systems. Coarse-grained locking provides lower overhead under low contention, fine-grained locking provides higher scalability under contention, though at the expense of implementation complexity and re- duced best-case performance. We revisit this trade-off in the context of microkernels and tightly-coupled cores with shared caches and low inter-core migration latencies. We evaluate performance on ...

  12. Coarse-grained modeling of hybrid block copolymer system

    Su, Yongrui

    This thesis is comprised of three major projects of my research. In the first project, I proposed a nanoparticle model and combined it with the Theoretically Informed Coarse Grained (TICG) model for pure polymer systems and the grand canonical slip springs model developed in our group to build a new model for entangled nanocomposites. With Molecule Dynamics(MD) simulation, I studied the mechanic properties of the nanocomposites, for example the influence of nanoparticles size and volume fraction on entanglements, the diffusion of polymers and nanoparticles, and the influence of nanoparticles size and volume fraction on viscosity et al.. We found that the addition of small-size nanoparticles reduces the viscosity of the nanocomposites, which is in contrary to what Einstein predicted a century ago. However, when particle increases its size to micrometers the Einstein predictions is recovered. From our simulation, we believe that small-size nanoparticles can more effectively decrease the entanglements of nanocomposites than larger particles. The free volume effect introduced by small-size nanoparticles also helps decrease the viscosity of the whole system. In the second project, I combined the Ohta-Kawasaki (OK) model [3] and the Covariance Matrix Adaptation Evolutionary Strategy(CMA-ES) to optimize the block copolymer blends self-assembly in the hole-shrink process. The aim is to predict the optimal composition and the optimal surface energy to direct the block copolymer blends self-assembly process in the confined hole. After optimization in the OK model, we calibrated the optimal results by the more reliable TICG model and got the same morphology. By comparing different optimization process, we found that the homopolymers which are comprised of the same monomers as either block of the block copolymer can form a perfect perforated hole and might have better performance than the pure block copolymer. While homopolymers which are comprised of a third-party monomers

  13. Parallel Global Optimization with the Particle Swarm Algorithm (Preprint)

    Schutte, J. F; Reinbolt, J. A; Fregly, B. J; Haftka, R. T; George, A. D

    2004-01-01

    .... To obtain enhanced computational throughput and global search capability, we detail the coarse-grained parallelization of an increasingly popular global search method, the Particle Swarm Optimization (PSO) algorithm...

  14. Chemical composition of free tropospheric aerosol for PM1 and coarse mode at the high alpine site Jungfraujoch

    J. Cozic

    2008-01-01

    Full Text Available The chemical composition of submicron (fine mode and supermicron (coarse mode aerosol particles has been investigated at the Jungfraujoch high alpine research station (3580 m a.s.l., Switzerland as part of the GAW aerosol monitoring program since 1999. A clear seasonality was observed for all major components throughout the period with low concentrations in winter (predominantly free tropospheric aerosol and higher concentrations in summer (enhanced vertical transport of boundary layer pollutants. In addition, mass closure was attempted during intensive campaigns in March 2004, February–March 2005 and August 2005. Ionic, carbonaceous and non-refractory components of the aerosol were quantified as well as the PM1 and coarse mode total aerosol mass concentrations. A relatively low conversion factor of 1.8 for organic carbon (OC to particulate organic matter (OM was found in winter (February–March 2005. Organics, sulfate, ammonium, and nitrate were the major components of the fine aerosol fraction that were identified, while calcium and nitrate were the only two measured components contributing to the coarse mode. The aerosol mass concentrations for fine and coarse mode aerosol measured during the intensive campaigns were not typical of the long-term seasonality due largely to dynamical differences. Average fine and coarse mode concentrations during the intensive field campaigns were 1.7 μg m−3 and 2.4 μg m−3 in winter and 2.5 μg m−3 and 2.0 μg m−3 in summer, respectively. The mass balance of aerosols showed higher contributions of calcium and nitrate in the coarse mode during Saharan dust events (SDE than without SDE.

  15. Volume calculations of coarse woody debris; evaluation of coarse woody debris volume calculations and consequences for coarse woody debris volume estimates in forest reserves

    Wijdeven, S.M.J.; Vaessen, O.H.B.; Hees, van A.F.M.; Olsthoorn, A.F.M.

    2005-01-01

    Dead wood is recognized as one of the key indicators for sustainable forest management and biodiversity. Accurate assessments of dead wood volume are thus necessary. In this study New volume models were designed based on actual volume measurements of coarse woody debris. The New generic model

  16. Three-dimensional shape analysis of coarse aggregates: New techniques for and preliminary results on several different coarse aggregates and reference rocks

    Erdogan, S.T.; Quiroga, P.N.; Fowler, D.W.; Saleh, H.A.; Livingston, R.A.; Garboczi, E.J.; Ketcham, P.M.; Hagedorn, J.G.; Satterfield, S.G.

    2006-01-01

    The shape of aggregates used in concrete is an important parameter that helps determine many concrete properties, especially the rheology of fresh concrete and early-age mechanical properties. This paper discusses the sample preparation and image analysis techniques necessary for obtaining an aggregate particle image in 3-D, using X-ray computed tomography, which is then suitable for spherical harmonic analysis. The shapes of three reference rocks are analyzed for uncertainty determination via direct comparison to the geometry of their reconstructed images. A Virtual Reality Modeling Language technique is demonstrated that can give quick and accurate 3-D views of aggregates. Shape data on several different kinds of coarse aggregates are compared and used to illustrate potential mathematical shape analyses made possible by the spherical harmonic information

  17. Recycled Coarse Aggregate Produced by Pulsed Discharge in Water

    Namihira, Takao; Shigeishi, Mitsuhiro; Nakashima, Kazuyuki; Murakami, Akira; Kuroki, Kaori; Kiyan, Tsuyoshi; Tomoda, Yuichi; Sakugawa, Takashi; Katsuki, Sunao; Akiyama, Hidenori; Ohtsu, Masayasu

    In Japan, the recycling ratio of concrete scraps has been kept over 98 % after the Law for the Recycling of Construction Materials was enforced in 2000. In the present, most of concrete scraps were recycled as the Lower Subbase Course Material. On the other hand, it is predicted to be difficult to keep this higher recycling ratio in the near future because concrete scraps increase rapidly and would reach to over 3 times of present situation in 2010. In addition, the demand of concrete scraps as the Lower Subbase Course Material has been decreased. Therefore, new way to reuse concrete scraps must be developed. Concrete scraps normally consist of 70 % of coarse aggregate, 19 % of water and 11 % of cement. To obtain the higher recycling ratio, the higher recycling ratio of coarse aggregate is desired. In this paper, a new method for recycling coarse aggregate from concrete scraps has been developed and demonstrated. The system includes a Marx generator and a point to hemisphere mesh electrode immersed in water. In the demonstration, the test piece of concrete scrap was located between the electrodes and was treated by the pulsed discharge. After discharge treatment of test piece, the recycling coarse aggregates were evaluated under JIS and TS and had enough quality for utilization as the coarse aggregate.

  18. NONLINEAR MULTIGRID SOLVER EXPLOITING AMGe COARSE SPACES WITH APPROXIMATION PROPERTIES

    Christensen, Max La Cour [Technical Univ. of Denmark, Lyngby (Denmark); Villa, Umberto E. [Univ. of Texas, Austin, TX (United States); Engsig-Karup, Allan P. [Technical Univ. of Denmark, Lyngby (Denmark); Vassilevski, Panayot S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-01-22

    The paper introduces a nonlinear multigrid solver for mixed nite element discretizations based on the Full Approximation Scheme (FAS) and element-based Algebraic Multigrid (AMGe). The main motivation to use FAS for unstruc- tured problems is the guaranteed approximation property of the AMGe coarse spaces that were developed recently at Lawrence Livermore National Laboratory. These give the ability to derive stable and accurate coarse nonlinear discretization problems. The previous attempts (including ones with the original AMGe method, [5, 11]), were less successful due to lack of such good approximation properties of the coarse spaces. With coarse spaces with approximation properties, our FAS approach on un- structured meshes should be as powerful/successful as FAS on geometrically re ned meshes. For comparison, Newton's method and Picard iterations with an inner state-of-the-art linear solver is compared to FAS on a nonlinear saddle point problem with applications to porous media ow. It is demonstrated that FAS is faster than Newton's method and Picard iterations for the experiments considered here. Due to the guaranteed approximation properties of our AMGe, the coarse spaces are very accurate, providing a solver with the potential for mesh-independent convergence on general unstructured meshes.

  19. Peridynamics as a rigorous coarse-graining of atomistics for multiscale materials design

    Lehoucq, Richard B.; Aidun, John Bahram; Silling, Stewart Andrew; Sears, Mark P.; Kamm, James R.; Parks, Michael L.

    2010-01-01

    This report summarizes activities undertaken during FY08-FY10 for the LDRD Peridynamics as a Rigorous Coarse-Graining of Atomistics for Multiscale Materials Design. The goal of our project was to develop a coarse-graining of finite temperature molecular dynamics (MD) that successfully transitions from statistical mechanics to continuum mechanics. The goal of our project is to develop a coarse-graining of finite temperature molecular dynamics (MD) that successfully transitions from statistical mechanics to continuum mechanics. Our coarse-graining overcomes the intrinsic limitation of coupling atomistics with classical continuum mechanics via the FEM (finite element method), SPH (smoothed particle hydrodynamics), or MPM (material point method); namely, that classical continuum mechanics assumes a local force interaction that is incompatible with the nonlocal force model of atomistic methods. Therefore FEM, SPH, and MPM inherit this limitation. This seemingly innocuous dichotomy has far reaching consequences; for example, classical continuum mechanics cannot resolve the short wavelength behavior associated with atomistics. Other consequences include spurious forces, invalid phonon dispersion relationships, and irreconcilable descriptions/treatments of temperature. We propose a statistically based coarse-graining of atomistics via peridynamics and so develop a first of a kind mesoscopic capability to enable consistent, thermodynamically sound, atomistic-to-continuum (AtC) multiscale material simulation. Peridynamics (PD) is a microcontinuum theory that assumes nonlocal forces for describing long-range material interaction. The force interactions occurring at finite distances are naturally accounted for in PD. Moreover, PDs nonlocal force model is entirely consistent with those used by atomistics methods, in stark contrast to classical continuum mechanics. Hence, PD can be employed for mesoscopic phenomena that are beyond the realms of classical continuum mechanics and

  20. Optimal Design of Experiments by Combining Coarse and Fine Measurements

    Lee, Alpha A.; Brenner, Michael P.; Colwell, Lucy J.

    2017-11-01

    In many contexts, it is extremely costly to perform enough high-quality experimental measurements to accurately parametrize a predictive quantitative model. However, it is often much easier to carry out large numbers of experiments that indicate whether each sample is above or below a given threshold. Can many such categorical or "coarse" measurements be combined with a much smaller number of high-resolution or "fine" measurements to yield accurate models? Here, we demonstrate an intuitive strategy, inspired by statistical physics, wherein the coarse measurements are used to identify the salient features of the data, while the fine measurements determine the relative importance of these features. A linear model is inferred from the fine measurements, augmented by a quadratic term that captures the correlation structure of the coarse data. We illustrate our strategy by considering the problems of predicting the antimalarial potency and aqueous solubility of small organic molecules from their 2D molecular structure.

  1. Entropies from Coarse-graining: Convex Polytopes vs. Ellipsoids

    Nikos Kalogeropoulos

    2015-09-01

    Full Text Available We examine the Boltzmann/Gibbs/Shannon SBGS and the non-additive Havrda-Charvát/Daróczy/Cressie-Read/Tsallis Sq and the Kaniadakis κ-entropy Sκ from the viewpoint of coarse-graining, symplectic capacities and convexity. We argue that the functional form of such entropies can be ascribed to a discordance in phase-space coarse-graining between two generally different approaches: the Euclidean/Riemannian metric one that reflects independence and picks cubes as the fundamental cells in coarse-graining and the symplectic/canonical one that picks spheres/ellipsoids for this role. Our discussion is motivated by and confined to the behaviour of Hamiltonian systems of many degrees of freedom. We see that Dvoretzky’s theorem provides asymptotic estimates for the minimal dimension beyond which these two approaches are close to each other. We state and speculate about the role that dualities may play in this viewpoint.

  2. Renormalization and Coarse-graining of Loop Quantum Gravity

    Charles, Christoph

    2017-01-01

    The continuum limit of loop quantum gravity is still an open problem. Indeed, no proper dynamics in known to start with and we still lack the mathematical tools to study its would-be continuum limit. In the present PhD dissertation, we will investigate some coarse-graining methods that should become helpful in this enterprise. We concentrate on two aspects of the theory's coarse-graining: finding natural large scale observables on one hand and studying how the dynamics of varying graphs could...

  3. Design of low-power coarse-grained reconfigurable architectures

    Kim, Yoonjin

    2010-01-01

    Coarse-grained reconfigurable architecture (CGRA) has emerged as a solution for flexible, application-specific optimization of embedded systems. Helping you understand the issues involved in designing and constructing embedded systems, Design of Low-Power Coarse-Grained Reconfigurable Architectures offers new frameworks for optimizing the architecture of components in embedded systems in order to decrease area and save power. Real application benchmarks and gate-level simulations substantiate these frameworks.The first half of the book explains how to reduce power in the configuration cache. T

  4. Thinning Approximation for Two-Dimensional Scattering Patterns from Coarse-Grained Polymer Melts under Shear Flow

    Hagita, Katsumi; Murashima, Takahiro; Takano, Hiroshi; Kawakatsu, Toshihiro

    2017-12-01

    We proposed a thinning approximation (TA) for estimation of the two-dimensional (2D) wide-angle scattering patterns from Kremer-Grest polymer melts under shear. In the TA, extra particles are inserted at the middle of bonds for fine-graining of the coarse-grained polymers. For the case without the TA, spots corresponding to the orientation of bonds at a high shear rate are difficult to observe because the bond length of successive particles is comparable to the distance between neighboring particles. With the insertion of the extra particles, a ring pattern originating from the neighboring particles can be moved to a wide-angle region. Thus, we can observe the spots at high shear rates. We also examined the relationship between 2D scattering patterns and the Weissenberg number, which is defined as the product of the shear rate and the longest relaxation time. It is confirmed that the relationship for coarse-grained polymers with the TA is consistent with that of the all-atomistic model of polyethylene.

  5. Wire-mesh capped deposition sensors: Novel passive tool for coarse fraction flux estimation of radon thoron progeny in indoor environments

    Mayya, Y.S.; Mishra, Rosaline; Prajith, Rama; Sapra, B.K.; Kushwaha, H.S.

    2010-01-01

    Deposition-based 222 Rn and 220 Rn progeny sensors act as unique, passive tools for determining the long time-averaged progeny deposition fluxes in the environment. The use of these deposition sensors as progeny concentration monitors was demonstrated in typical indoor environments as conceptually superior alternatives to gas-based indirect monitoring methods. In the present work, the dependency of these deposition monitors on various environmental parameters is minimized by capping the deposition sensor with a suitable wire mesh. These wire-mesh capped deposition sensors measure the coarse fraction deposition flux, which is less dependent on the change in environmental parameters like ventilation rate and turbulence. The calibration of these wire-mesh capped coarse fraction progeny sensors was carried out by laboratory controlled experiments. These sensors were deployed both in indoor and in occupational environments having widely different ventilation rates. The obtained coarse fraction deposition velocities were fairly constant in these environments, which further confirmed that the signal on the wire-mesh capped sensors show the least dependency on the change in environmental parameters. This technique has the potential to serve as a passive particle sizer in the general context of nanoparticles using progeny species as surrogates. On the whole, there exists a strong case for developing a passive system that responds only to coarse fraction for providing alternative tools for dosimetry and environmental fine particle research. - Research highlights: → Wire-mesh capped deposition sensor measures the coarse fraction deposition flux → Coarse fraction deposition flux less dependent on environmental conditions → Wire-mesh capped deposition sensor as passive particle sizer

  6. Generalized coarse-grained Becker-Doering equations

    Bolton, Colin D; Wattis, Jonathan A D

    2003-01-01

    We present and apply a generalized coarse-graining method of reducing the Becker-Doering model; originally formulated to describe the stepwise aggregation and fragmentation of clusters during nucleation. Previous formulations of the coarse-graining procedure have allowed a temporal rescaling of the coarse-grained reaction rates; this is generalized to allow the rescaling to depend on cluster size. The form of this factor is derived for general reaction rates and general mesh function so that the steady-state solution is preserved; in the case of an even mesh function the kinetics can also be accurately reproduced. With a size-dependent mesh function the equilibrium solution and the form of convergence to this state are matched for a specific example. Finally we consider reaction rates relevant to the classical nucleation theory of spherical cluster growth, and numerically compare solutions of the full system to the generalized coarse-grained system in both constant monomer and constant mass formulations, demonstrating the accuracy of the method

  7. Coarse woody debris metrics in a California oak woodland

    William D. Tietje; Michael A. Hardy; Christopher C. Yim

    2015-01-01

    Little information is available on the metrics of coarse woody debris (CWD) in California oak woodland, most notably at the scale of the stand and woodland type. In a remote part of the National Guard Post, Camp Roberts, that has not burned in over a half century, we tallied 314 pieces of CWD in a blue oak (Quercus douglasii)-coast live oak (

  8. Free-energy coarse-grained potential for C60

    Edmunds, D. M.; Tangney, P.; Vvedensky, D. D.; Foulkes, W. M. C.

    2015-01-01

    We propose a new deformable free energy method for generating a free-energy coarse-graining potential for C 60 . Potentials generated from this approach exhibit a strong temperature dependence and produce excellent agreement with benchmark fully atomistic molecular dynamics simulations. Parameter sets for analytical fits to this potential are provided at four different temperatures

  9. Coarse graining of atactic polystyrene and its derivatives

    Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

    2014-03-01

    Capturing large length scales in polymers and soft matter while retaining atomistic properties is imperative to computational studies of dynamic systems. Here we present a new methodology developing coarse-grain model based on atomistic simulation of atactic polystyrene (PS). Similar to previous work by Fritz et al., each monomer is described by two coarse grained beads. In contrast to this earlier work where intramolecular potentials were based on Monte Carlo simulation of both isotactic and syndiotactic single PS molecule to capture stereochemistry, we obtained intramolecular interactions from a single molecular dynamics simulation of an all-atom atactic PS melts. The non-bonded interactions are obtained using the iterative Boltzmann inversion (IBI) scheme. This methodology has been extended to coarse graining of poly-(t-butyl-styrene) (PtBS). An additional coarse-grained bead is used to describe the t-butyl group. Similar to the process for PS, the intramolecular interactions are obtained from a single all atom atactic melt simulation. Starting from the non-bonded interactions for PS, we show that the IBI method for the non-bonded interactions of PtBS converges relatively fast. A generalized scheme for substituted PS is currently in development. We would like to acknowledge Prof. Kurt Kremer for helpful discussions during this work.

  10. Coarse-graining stochastic biochemical networks: adiabaticity and fast simulations

    Nemenman, Ilya [Los Alamos National Laboratory; Sinitsyn, Nikolai [Los Alamos National Laboratory; Hengartner, Nick [Los Alamos National Laboratory

    2008-01-01

    We propose a universal approach for analysis and fast simulations of stiff stochastic biochemical kinetics networks, which rests on elimination of fast chemical species without a loss of information about mesoscoplc, non-Poissonian fluctuations of the slow ones. Our approach, which is similar to the Born-Oppenhelmer approximation in quantum mechanics, follows from the stochastic path Integral representation of the cumulant generating function of reaction events. In applications with a small number of chemIcal reactions, It produces analytical expressions for cumulants of chemical fluxes between the slow variables. This allows for a low-dimensional, Interpretable representation and can be used for coarse-grained numerical simulation schemes with a small computational complexity and yet high accuracy. As an example, we derive the coarse-grained description for a chain of biochemical reactions, and show that the coarse-grained and the microscopic simulations are in an agreement, but the coarse-gralned simulations are three orders of magnitude faster.

  11. Variational approach to coarse-graining of generalized gradient flows

    Duong, M.H.; Lamacz, A.; Peletier, M.A.; Sharma, U.

    2017-01-01

    In this paper we present a variational technique that handles coarse-graining and passing to a limit in a unified manner. The technique is based on a duality structure, which is present in many gradient flows and other variational evolutions, and which often arises from a large-deviations principle.

  12. Managing coarse woody debris in forests of the Rocky Mountains

    Russell T. Graham; Alan E. Harvey; Martin F. Jurgensen; Theresa B. Jain; Jonalea R. Tonn; Deborah S. Page-Dumroese

    1994-01-01

    Recommendations for managing coarse woody debris after timber harvest were developed for 14 habitat types, ranging from ponderosa pine (Pinus ponderosa) habitat types of Arizona to subalpine fir (Abies lasiocarpa) habitat types of western Montana. Ectomycorrhizae were used as a bioindicator of healthy, productive forest soils....

  13. Loop overhead reduction techniques for coarse grained reconfigurable architectures

    Vadivel, K.; Wijtvliet, M.; Jordans, R.; Corporaal, H.

    2017-01-01

    Due to their flexibility and high performance, Coarse Grained Reconfigurable Array (CGRA) are a topic of increasing research interest. However, CGRAs also have the potential to achieve very high energy efficiency in comparison to other reconfigurable architectures when hardware optimizations are

  14. Time evolution as refining, coarse graining and entangling

    Dittrich, Bianca; Steinhaus, Sebastian

    2014-01-01

    We argue that refining, coarse graining and entangling operators can be obtained from time evolution operators. This applies in particular to geometric theories, such as spin foams. We point out that this provides a construction principle for the physical vacuum in quantum gravity theories and more generally allows construction of a (cylindrically) consistent continuum limit of the theory. (paper)

  15. Time evolution as refining, coarse graining and entangling

    Dittrich, Bianca; Steinhaus, Sebastian

    2014-12-01

    We argue that refining, coarse graining and entangling operators can be obtained from time evolution operators. This applies in particular to geometric theories, such as spin foams. We point out that this provides a construction principle for the physical vacuum in quantum gravity theories and more generally allows construction of a (cylindrically) consistent continuum limit of the theory.

  16. A distance limited method for sampling downed coarse woody debris

    Jeffrey H. Gove; Mark J. Ducey; Harry T. Valentine; Michael S. Williams

    2012-01-01

    A new sampling method for down coarse woody debris is proposed based on limiting the perpendicular distance from individual pieces to a randomly chosen sample point. Two approaches are presented that allow different protocols to be used to determine field measurements; estimators for each protocol are also developed. Both protocols are compared via simulation against...

  17. Mineral Elements Content of some Coarse Grains used as staple ...

    Analysis of mineral elements were carried out on some coarse grains used as staple food in Kano metropolis. The levels of Magnesium, Calcium, Manganese, Iron, Copper and Zinc were determined using atomic absorption spectrophotometer (AAS), and that of Sodium and Potassium were obtained using flame photometer ...

  18. Non-Steady Oscillatory Flow in Coarse Granular Materials

    Andersen, O. H.; Gent, M. R. A. van; Meer, J. W. van der

    1992-01-01

    Stationary and oscillatory flow through coarse granular materials have been investigated experimentally at Delft Hydraulics in their oscillating water tunnel with the objective of determining the coefficients of the extended Forchheimer equation. Cylinders, spheres and different types of rock have....... Further, for the non-stationary term, the virtual mass coefficient will be derived....

  19. The MARTINI force field : Coarse grained model for biomolecular simulations

    Marrink, Siewert J.; Risselada, H. Jelger; Yefimov, Serge; Tieleman, D. Peter; de Vries, Alex H.

    2007-01-01

    We present an improved and extended version of our coarse grained lipid model. The new version, coined the MARTINI force field, is parametrized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds. To

  20. Martini Coarse-Grained Force Field : Extension to RNA

    Uusitalo, Jaakko J.; Ingolfsson, Helgi I.; Marrink, Siewert J.; Faustino, Ignacio

    2017-01-01

    RNA has an important role not only as the messenger of genetic information but also as a regulator of gene expression. Given its central role in cell biology, there is significant interest in studying the structural and dynamic behavior of RNA in relation to other biomolecules. Coarse-grain

  1. Martini Coarse-Grained Force Field : Extension to Carbohydrates

    Lopez, Cesar A.; Rzepiela, Andrzej J.; de Vries, Alex H.; Dijkhuizen, Lubbert; Huenenberger, Philippe H.; Marrink, Siewert J.

    2009-01-01

    We present an extension of the Martini coarse-grained force field to carbohydrates. The parametrization follows the same philosophy as was used previously for lipids and proteins, focusing on the reproduction of partitioning free energies of small compounds between polar and nonpolar phases. The

  2. Coarse-grain modelling of protein-protein interactions

    Baaden, Marc; Marrink, Siewert J.

    2013-01-01

    Here, we review recent advances towards the modelling of protein-protein interactions (PPI) at the coarse-grained (CG) level, a technique that is now widely used to understand protein affinity, aggregation and self-assembly behaviour. PPI models of soluble proteins and membrane proteins are

  3. The attachment of α -synuclein to a fiber: A coarse-grain approach

    Ilie, Ioana M.; den Otter, Wouter K.; Briels, Wim J.

    2017-03-01

    We present simulations of the amyloidogenic core of α-synuclein, the protein causing Parkinson's disease, as a short chain of coarse-grain patchy particles. Each particle represents a sequence of about a dozen amino acids. The fluctuating secondary structure of this intrinsically disordered protein is modelled by dynamic variations of the shape and interaction characteristics of the patchy particles, ranging from spherical with weak isotropic attractions for the disordered state to spherocylindrical with strong directional interactions for a β-sheet. Flexible linkers between the particles enable sampling of the tertiary structure. This novel model is applied here to study the growth of an amyloid fibril, by calculating the free energy profile of a protein attaching to the end of a fibril. The simulation results suggest that the attaching protein readily becomes trapped in a mis-folded state, thereby inhibiting further growth of the fibril until the protein has readjusted to conform to the fibril structure, in line with experimental findings and previous simulations on small fragments of other proteins.

  4. The development of fabrication techniques for europia/iron cermet tips for coarse-control arms in DIDO and PLUTO

    Moore, D.A.; Tarrant, E.A.

    1980-11-01

    The applicability of cermet-fabrication techniques to the production of europia/iron cermets for use as coarse-control arm tips in the materials test reactors DIDO and PLUTO has been investigated. Spheroids of europia were prepared by a dry agglomeration process. These were sintered, dispersed in iron powder and pressed into plates; the plates were then sintered to densify the iron matrix. These stages were optimised to produce a strong cermet with a europia density of >= 2.75 g/cm 3 . The uniformity of distribution of the absorber particles was confirmed by radiography, and adequate neutron-absorption worth by measurements carried out in the GLEEP reactor. An outline flow sheet has been prepared for the manufacture of europia/iron cermet plates suitable for use in the tips of DIDO and PLUTO coarse-control arms. (author)

  5. Chemical-mineralogical characterisation of coarse recycled concrete aggregate

    Limbachiya, M.C.; Marrocchino, E.; Koulouris, A.

    2007-01-01

    The construction industry is now putting greater emphasis than ever before on increasing recycling and promoting more sustainable waste management practices. In keeping with this approach, many sectors of the industry have actively sought to encourage the use of recycled concrete aggregate (RCA) as an alternative to primary aggregates in concrete production. The results of a laboratory experimental programme aimed at establishing chemical and mineralogical characteristics of coarse RCA and its likely influence on concrete performance are reported in this paper. Commercially produced coarse RCA and natural aggregates (16-4 mm size fraction) were tested. Results of X-ray fluorescence (XRF) analyses showed that original source of RCA had a negligible effect on the major elements and a comparable chemical composition between recycled and natural aggregates. X-ray diffraction (XRD) analyses results indicated the presence of calcite, portlandite and minor peaks of muscovite/illite in recycled aggregates, although they were directly proportioned to their original composition. The influence of 30%, 50%, and 100% coarse RCA on the chemical composition of equal design strength concrete has been established, and its suitability for use in a concrete application has been assessed. In this work, coarse RCA was used as a direct replacement for natural gravel in concrete production. Test results indicated that up to 30% coarse RCA had no effect on the main three oxides (SiO 2 , Al 2 O 3 and CaO) of concrete, but thereafter there was a marginal decrease in SiO 2 and increase in Al 2 O 3 and CaO contents with increase in RCA content in the mix, reflecting the original constituent's composition

  6. Chemical-mineralogical characterisation of coarse recycled concrete aggregate.

    Limbachiya, M C; Marrocchino, E; Koulouris, A

    2007-01-01

    The construction industry is now putting greater emphasis than ever before on increasing recycling and promoting more sustainable waste management practices. In keeping with this approach, many sectors of the industry have actively sought to encourage the use of recycled concrete aggregate (RCA) as an alternative to primary aggregates in concrete production. The results of a laboratory experimental programme aimed at establishing chemical and mineralogical characteristics of coarse RCA and its likely influence on concrete performance are reported in this paper. Commercially produced coarse RCA and natural aggregates (16-4 mm size fraction) were tested. Results of X-ray fluorescence (XRF) analyses showed that original source of RCA had a negligible effect on the major elements and a comparable chemical composition between recycled and natural aggregates. X-ray diffraction (XRD) analyses results indicated the presence of calcite, portlandite and minor peaks of muscovite/illite in recycled aggregates, although they were directly proportioned to their original composition. The influence of 30%, 50%, and 100% coarse RCA on the chemical composition of equal design strength concrete has been established, and its suitability for use in a concrete application has been assessed. In this work, coarse RCA was used as a direct replacement for natural gravel in concrete production. Test results indicated that up to 30% coarse RCA had no effect on the main three oxides (SiO2, Al2O3 and CaO) of concrete, but thereafter there was a marginal decrease in SiO2 and increase in Al2O3 and CaO contents with increase in RCA content in the mix, reflecting the original constituent's composition.

  7. Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

    Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de [Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de; Dzubiella, Joachim, E-mail: joachim.dzubiella@helmholtz-berlin.de [Institut für Physik, Humboldt Universität zu Berlin, Newtonstraße 15, 12489 Berlin (Germany); Institut für Weiche Materie und Funktionale Materialen, Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner Platz 1, 14109 Berlin (Germany)

    2015-11-07

    In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene.

  8. Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

    Heinemann, Thomas; Klapp, Sabine H. L.; Palczynski, Karol; Dzubiella, Joachim

    2015-01-01

    In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene

  9. An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

    Poursina, Mohammad; Anderson, Kurt S.

    2014-01-01

    This paper presents a novel algorithm to approximate the long-range electrostatic potential field in the Cartesian coordinates applicable to 3D coarse-grained simulations of biopolymers. In such models, coarse-grained clusters are formed via treating groups of atoms as rigid and/or flexible bodies connected together via kinematic joints. Therefore, multibody dynamic techniques are used to form and solve the equations of motion of such coarse-grained systems. In this article, the approximations for the potential fields due to the interaction between a highly negatively/positively charged pseudo-atom and charged particles, as well as the interaction between clusters of charged particles, are presented. These approximations are expressed in terms of physical and geometrical properties of the bodies such as the entire charge, the location of the center of charge, and the pseudo-inertia tensor about the center of charge of the clusters. Further, a novel substructuring scheme is introduced to implement the presented far-field potential evaluations in a binary tree framework as opposed to the existing quadtree and octree strategies of implementing fast multipole method. Using the presented Lagrangian grids, the electrostatic potential is recursively calculated via sweeping two passes: assembly and disassembly. In the assembly pass, adjacent charged bodies are combined together to form new clusters. Then, the potential field of each cluster due to its interaction with faraway resulting clusters is recursively calculated in the disassembly pass. The method is highly compatible with multibody dynamic schemes to model coarse-grained biopolymers. Since the proposed method takes advantage of constant physical and geometrical properties of rigid clusters, improvement in the overall computational cost is observed comparing to the tradition application of fast multipole method

  10. An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

    Poursina, Mohammad; Anderson, Kurt S.

    2014-08-01

    This paper presents a novel algorithm to approximate the long-range electrostatic potential field in the Cartesian coordinates applicable to 3D coarse-grained simulations of biopolymers. In such models, coarse-grained clusters are formed via treating groups of atoms as rigid and/or flexible bodies connected together via kinematic joints. Therefore, multibody dynamic techniques are used to form and solve the equations of motion of such coarse-grained systems. In this article, the approximations for the potential fields due to the interaction between a highly negatively/positively charged pseudo-atom and charged particles, as well as the interaction between clusters of charged particles, are presented. These approximations are expressed in terms of physical and geometrical properties of the bodies such as the entire charge, the location of the center of charge, and the pseudo-inertia tensor about the center of charge of the clusters. Further, a novel substructuring scheme is introduced to implement the presented far-field potential evaluations in a binary tree framework as opposed to the existing quadtree and octree strategies of implementing fast multipole method. Using the presented Lagrangian grids, the electrostatic potential is recursively calculated via sweeping two passes: assembly and disassembly. In the assembly pass, adjacent charged bodies are combined together to form new clusters. Then, the potential field of each cluster due to its interaction with faraway resulting clusters is recursively calculated in the disassembly pass. The method is highly compatible with multibody dynamic schemes to model coarse-grained biopolymers. Since the proposed method takes advantage of constant physical and geometrical properties of rigid clusters, improvement in the overall computational cost is observed comparing to the tradition application of fast multipole method.

  11. Associations of acute exposure to fine and coarse particulate matter and mortality among older people in Tokyo, Japan.

    Yorifuji, Takashi; Kashima, Saori; Doi, Hiroyuki

    2016-01-15

    Recent studies have reported adverse health effects of short-term exposure to coarse particles independent of particulate matter less than 2.5 μm in diameter (PM2.5), but evidence in Asian countries is limited. We therefore evaluated associations between short-term exposure to particulate matter (PM) and mortality among older people in Tokyo, Japan. We used a time-stratified, case-crossover design. Study participants included 664,509 older people (≥65 years old) in the 23 urbanized wards of the Tokyo Metropolitan Government, who died between January 2002 and December 2013. We obtained PM2.5 and suspended particulate matter (SPM; PMPM7-2.5 by subtracting PM2.5 from SPM to account for coarse particles. We then used conditional logistic regression to estimate odds ratios (ORs) and 95 confidence intervals (CIs). Same-day PM2.5 and PM7-2.5 were independently associated with all-cause and cause-specific mortality related to cardiovascular and respiratory diseases; for example, both pollutants were positively associated with increased risk of all-cause mortality even after simultaneous adjustment for each pollutant: OR of 1.006 (95% CI: 1.003, 1.009) for PM2.5 and 1.016 (95% CI: 1.011, 1.022) for PM7-2.5. Even below concentrations stipulated by the Japanese air quality guidelines for PM2.5 and SPM (PM7), we observed adverse health effects. This study provides further evidence that acute exposure to PM2.5 and coarse particles is associated with increased risk of mortality among older people. Rigorous evaluation of air quality guidelines for daily average PM2.5 and larger particles should be continued. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Investigation of pier scour in coarse-bed streams in Montana, 2001 through 2007

    Holnbeck, Stephen R.

    2011-01-01

    the nationwide Bridge Scour Data Management System (BSDMS), to show the effect of bed-material size and gradation on scour depth. Unsteady field flow conditions and armoring by coarser material reduced scour relative to the clear-water/sandy-bed laboratory results at steady flow. The new correction factor and the standard scour equation produced the most accurate estimates of scour depth in armored, coarse-bed conditions. Maximum relative scour occurred at similar velocity across variations in bed material and gradation. Pier scour decreased with increased variation in particle size and gradation.

  13. Optical properties of Saharan dust aerosol and contribution from the coarse mode as measured during the Fennec 2011 aircraft campaign

    C. L. Ryder

    2013-01-01

    Full Text Available New in-situ aircraft measurements of Saharan dust originating from Mali, Mauritania and Algeria taken during the Fennec 2011 aircraft campaign over a remote part of the Sahara Desert are presented. Size distributions extending to 300 μm are shown, representing measurements extending further into the coarse mode than previously published for airborne Saharan dust. A significant coarse mode was present in the size distribution measurements with effective diameter (deff from 2.3 to 19.4 μm and coarse mode volume median diameter (dvc from 5.8 to 45.3 μm. The mean size distribution had a larger relative proportion of coarse mode particles than previous aircraft measurements. The largest particles (with deff > 12 μm, or dvc > 25 μm were only encountered within 1 km of the ground. Number concentration, mass loading and extinction coefficient showed inverse relationships to dust age since uplift. Dust particle size showed a weak exponential relationship to dust age. Two cases of freshly uplifted dust showed quite different characteristics of size distribution and number concentration.

    Single Scattering Albed (SSA values at 550 nm calculated from the measured size distributions revealed high absorption ranging from 0.70 to 0.97 depending on the refractive index. SSA was found to be strongly related to deff. New instrumentation revealed that direct measurements, behind Rosemount inlets, overestimate SSA by up to 0.11 when deff is greater than 2 μm. This is caused by aircraft inlet inefficiencies and sampling losses. Previous measurements of SSA from aircraft measurements may also have been overestimates for this reason. Radiative transfer calculations indicate that the range of SSAs during Fennec 2011 can lead to underestimates in shortwave atmospheric heating rates by 2.0 to 3.0 times if the coarse mode is neglected. This will have

  14. Development of DPD coarse-grained models: From bulk to interfacial properties

    Solano Canchaya, José G.; Dequidt, Alain, E-mail: alain.dequidt@univ-bpclermont.fr; Goujon, Florent; Malfreyt, Patrice [Institut de Chimie de Clermont-Ferrand, Université Blaise Pascal, Université Clermont Auvergne, BP 10448, F-63000 Clermont-Ferrand (France); CNRS, UMR 6296, ICCF, F-63178 Aubiere (France)

    2016-08-07

    A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from constant-NPT atomistic simulations of bulk liquid phases and we apply the CG-DPD model to the calculation of the surface tension of the liquid-vapor interface over a large range of temperatures. The coexisting densities, vapor pressures, and surface tensions calculated with different CG and atomistic models are compared to experiments. Depending on the database used for the development of the potentials, it is possible to build a CG model which performs very well in the reproduction of the surface tension on the orthobaric curve.

  15. Performance of japanese quails fed feeds containing different corn and limestone particle sizes

    DA Berto

    2007-09-01

    Full Text Available This study aimed at evaluating performance and egg quality of Japanese quails fed feeds containing different corn and limestone particle sizes. A total number of 648 birds in the peak of production was distributed in a random complete block experimental design, using a 2x3 factorial arrangement (2 corn particle sizes and 3 limestone particle sizes. Birds were designated to one of two blocks, with six replicates of 18 birds each. Mean geometric diameter (MGD values used were 0.617mm and 0.723mm (corn fine and coarse particle sizes, respectively, and 0.361mm, 0.721mm, and 0.947mm (limestone fine, intermediate and coarse particle sizes, respectively. The following treatments were applied: T1: fine corn feed, with 100% fine limestone; T2: fine corn feed, with 50% fine limestone and 50% intermediate limestone; T3: fine corn feed, with 50% fine limestone and 50% coarse limestone; T4: coarse corn feed, with 100% fine limestone; T5: coarse corn feed, with 50% fine limestone and 50% intermediate limestone; T6: coarse corn feed, with 50% fine limestone and 50% coarse limestone. The experiment lasted 112 days, consisting of 4 cycles of 28 days. No significant interaction was observed among corn and limestone particle sizes for any of the analyzed parameters. There were no significant effects (p>0.05 of the tested corn particle sizes on quail performance or egg quality. There were significant (p<0.05 isolated effects of limestone particle size only on the percentage of cracked eggs, which was reduced when birds fed 50% coarse limestone (0.947mm and 50% fine limestone (0.361mm as compared to those fed 100% fine limestone. Therefore, the inclusion of 50% coarse limestone (0.947mm is recommended for quail egg production.

  16. The Effect of Morphological Characteristic of Coarse Aggregates Measured with Fractal Dimension on Asphalt Mixture’s High-Temperature Performance

    Hainian Wang

    2016-01-01

    Full Text Available The morphological properties of coarse aggregates, such as shape, angularity, and surface texture, have a great influence on the mechanical performance of asphalt mixtures. This study aims to investigate the effect of coarse aggregate morphological properties on the high-temperature performance of asphalt mixtures. A modified Los Angeles (LA abrasion test was employed to produce aggregates with various morphological properties by applying abrasion cycles of 0, 200, 400, 600, 800, 1000, and 1200 on crushed angular aggregates. Based on a laboratory-developed Morphology Analysis System for Coarse Aggregates (MASCA, the morphological properties of the coarse aggregate particles were quantified using the index of fractal dimension. The high-temperature performances of the dense-graded asphalt mixture (AC-16, gap-graded stone asphalt mixture (SAC-16, and stone mastic asphalt (SMA-16 mixtures containing aggregates with different fractal dimensions were evaluated through the dynamic stability (DS test and the penetration shear test in laboratory. Good linear correlations between the fractal dimension and high-temperature indexes were obtained for all three types of mixtures. Moreover, the results also indicated that higher coarse aggregate angularity leads to stronger high-temperature shear resistance of asphalt mixtures.

  17. Using of Porcelinite as Coarse Aggregate in Concrete

    Haifa Saleh

    2015-02-01

    Full Text Available In this research the ability of using porcelinite as coarse aggregate to produce light weight concrete was investigated.  The experimental program consists of preparing and testing a mixes to investigate mechanical properties of concrete, with a total of 15 cubes (100×100×100 mm, 30 cylinders (100×200 mm. The tests include compressive strength, splitting tensile strength, fresh and hardened density of  light weight concrete for different porcelinite percentages ranged between(0% to 100% of the coarse aggregate weight. The obtained results for tested specimens were compared to control one. Test results indicated that using of porcelinite in concrete mix reduces the strength of concrete Porcelinite aggregate represents a reduction in density ranging between (10%-36% of normal weight concrete, therefore there is an advantage  using this type of light weight aggregate in this country where soil bearing capacity is low in most construction sites.

  18. MT-ADRES: Multithreading on Coarse-Grained Reconfigurable Architecture

    Wu, Kehuai; Kanstein, Andreas; Madsen, Jan

    2007-01-01

    The coarse-grained reconfigurable architecture ADRES (Architecture for Dynamically Reconfigurable Embedded Systems) and its compiler offer high instruction-level parallelism (ILP) to applications by means of a sparsely interconnected array of functional units and register files. As high-ILP archi......The coarse-grained reconfigurable architecture ADRES (Architecture for Dynamically Reconfigurable Embedded Systems) and its compiler offer high instruction-level parallelism (ILP) to applications by means of a sparsely interconnected array of functional units and register files. As high......-ILP architectures achieve only low parallelism when executing partially sequential code segments, which is also known as Amdahl’s law, this paper proposes to extend ADRES to MT-ADRES (Multi-Threaded ADRES) to also exploit thread-level parallelism. On MT-ADRES architectures, the array can be partitioned in multiple...

  19. Coarse-to-fine region selection and matching

    Yang, Yanchao

    2015-10-15

    We present a new approach to wide baseline matching. We propose to use a hierarchical decomposition of the image domain and coarse-to-fine selection of regions to match. In contrast to interest point matching methods, which sample salient regions to reduce the cost of comparing all regions in two images, our method eliminates regions systematically to achieve efficiency. One advantage of our approach is that it is not restricted to covariant salient regions, which is too restrictive under large viewpoint and leads to few corresponding regions. Affine invariant matching of regions in the hierarchy is achieved efficiently by a coarse-to-fine search of the affine space. Experiments on two benchmark datasets shows that our method finds more correct correspondence of the image (with fewer false alarms) than other wide baseline methods on large viewpoint change. © 2015 IEEE.

  20. Linear mixing model applied to coarse resolution satellite data

    Holben, Brent N.; Shimabukuro, Yosio E.

    1992-01-01

    A linear mixing model typically applied to high resolution data such as Airborne Visible/Infrared Imaging Spectrometer, Thematic Mapper, and Multispectral Scanner System is applied to the NOAA Advanced Very High Resolution Radiometer coarse resolution satellite data. The reflective portion extracted from the middle IR channel 3 (3.55 - 3.93 microns) is used with channels 1 (0.58 - 0.68 microns) and 2 (0.725 - 1.1 microns) to run the Constrained Least Squares model to generate fraction images for an area in the west central region of Brazil. The derived fraction images are compared with an unsupervised classification and the fraction images derived from Landsat TM data acquired in the same day. In addition, the relationship betweeen these fraction images and the well known NDVI images are presented. The results show the great potential of the unmixing techniques for applying to coarse resolution data for global studies.

  1. Coarse grainings and irreversibility in quantum field theory

    Anastopoulos, C.

    1997-01-01

    In this paper we are interested in studying coarse graining in field theories using the language of quantum open systems. Motivated by the ideas of Hu and Calzetta on correlation histories we employ the Zwanzig projection technique to obtain evolution equations for relevant observables in self-interacting scalar field theories. Our coarse-graining operation consists in concentrating solely on the evolution of the correlation functions of degree less than n, a treatment which corresponds to the familiar truncation of the BBKGY hierarchy at the nth level. We derive the equations governing the evolution of mean-field and two-point functions thus identifying the terms corresponding to dissipation and noise. We discuss possible applications of our formalism, the emergence of classical behavior, and the connection to the decoherent histories framework. copyright 1997 The American Physical Society

  2. A detection of the coarse water droplets in steam turbines

    Bartoš Ondřej

    2014-03-01

    Full Text Available The aim of this paper is to introduce a novel method for the detection of coarse water droplets in a low pressure part of steam turbines. The photogrammetry method has been applied for the measurement of coarse droplets in the low-pressure part of a steam turbine. A new probe based on this measurement technique was developed and tested in the laboratory and in a steam turbine in the Počerady power-plant. The probe was equipped with state-of-the-art instrumentation. The paper contains results from laboratory tests and the first preliminary measurements in a steam turbine. Possible applications of this method have been examined.

  3. Development of new test procedures for measuring fine and coarse aggregates specific gravity.

    2009-09-01

    The objective of the research is to develop and evaluate new test methods at determining the specific gravity and absorption of both fine and coarse aggregates. Current methods at determining the specific gravity and absorption of fine and coarse agg...

  4. FROM ATOMISTIC TO SYSTEMATIC COARSE-GRAINED MODELS FOR MOLECULAR SYSTEMS

    Harmandaris, Vagelis; Kalligiannaki, Evangelia; Katsoulakis, Markos; Plechac, Petr

    2017-01-01

    The development of systematic (rigorous) coarse-grained mesoscopic models for complex molecular systems is an intense research area. Here we first give an overview of methods for obtaining optimal parametrized coarse-grained models, starting from

  5. Development of a stranded oil in coarse sediment (SOCS) model

    Humphrey, B.; Owens, E.; Sergy, G.

    1993-01-01

    Oil spills in Canadian waters have a high probability of impacting coarse sediment beaches, yet the ability to predict oil fate and estimate natural self-cleaning rates is less than adequate. Data is lacking to understand fully many oil sediment interactions. Historically, shoreline interactions have been considered using fairly simple concepts. The authors examined the processes that may occur on a coarse sediment beach, selected those which are important, and developed a fate and persistence model for stranded oil. The processes were divided into stages relative to the spill event, and the factors which affect each stage were evaluated. Three areas of special interest were the capacity of a beach to hold oil, the residual capacity of a beach for oil, and the long-term fate of the oil. After developing model algorithms, the outputs were compared to a data base of information collected during the Exxon Valdez oil spill. The stranded oil in coarse sediment model will provide information at two levels: a general level for planning and sensitivity mapping and a more detailed level intended for the prediction of oil fate on specific known beaches. The strengths and weaknesses of the model have been assessed in terms of data deficiencies. The type and nature of the data which are most useful to, and which need to be collected for, spill planning and spill monitoring were identified. The model shows that the important factors directing the fate of oil on coarse sediment beaches are porosity and permeability, determined by grain size and oil properties (composition, viscosity, etc.). The natural rate of removal of oil, modeled as a first-order (exponential) removal, is dependent on the stage of the spill process and on wave energy

  6. Superplastic behavior of coarse-grained aluminum alloys

    Chezan, AR; De Hosson, JTM

    2005-01-01

    In this paper we concentrate on the superplastic behavior and the microstructural evolution of two coarse-grained Al alloys: Al-4.4w/oMg and Al-4.4w/oMg-0.4w/oCu. The values for the strain rate sensitivity index and activation energy suggest that solute drag on dislocation motion is an important

  7. A test of systematic coarse-graining of molecular dynamics simulations: Thermodynamic properties

    Fu, Chia-Chun; Kulkarni, Pandurang M.; Scott Shell, M.; Gary Leal, L.

    2012-10-01

    Coarse-graining (CG) techniques have recently attracted great interest for providing descriptions at a mesoscopic level of resolution that preserve fluid thermodynamic and transport behaviors with a reduced number of degrees of freedom and hence less computational effort. One fundamental question arises: how well and to what extent can a "bottom-up" developed mesoscale model recover the physical properties of a molecular scale system? To answer this question, we explore systematically the properties of a CG model that is developed to represent an intermediate mesoscale model between the atomistic and continuum scales. This CG model aims to reduce the computational cost relative to a full atomistic simulation, and we assess to what extent it is possible to preserve both the thermodynamic and transport properties of an underlying reference all-atom Lennard-Jones (LJ) system. In this paper, only the thermodynamic properties are considered in detail. The transport properties will be examined in subsequent work. To coarse-grain, we first use the iterative Boltzmann inversion (IBI) to determine a CG potential for a (1-ϕ)N mesoscale particle system, where ϕ is the degree of coarse-graining, so as to reproduce the radial distribution function (RDF) of an N atomic particle system. Even though the uniqueness theorem guarantees a one to one relationship between the RDF and an effective pairwise potential, we find that RDFs are insensitive to the long-range part of the IBI-determined potentials, which provides some significant flexibility in further matching other properties. We then propose a reformulation of IBI as a robust minimization procedure that enables simultaneous matching of the RDF and the fluid pressure. We find that this new method mainly changes the attractive tail region of the CG potentials, and it improves the isothermal compressibility relative to pure IBI. We also find that there are optimal interaction cutoff lengths for the CG system, as a function of

  8. Particle Pollution

    ... Your Health Particle Pollution Public Health Issues Particle Pollution Recommend on Facebook Tweet Share Compartir Particle pollution — ... see them in the air. Where does particle pollution come from? Particle pollution can come from two ...

  9. Thermodynamically consistent coarse graining of biocatalysts beyond Michaelis–Menten

    Wachtel, Artur; Rao, Riccardo; Esposito, Massimiliano

    2018-04-01

    Starting from the detailed catalytic mechanism of a biocatalyst we provide a coarse-graining procedure which, by construction, is thermodynamically consistent. This procedure provides stoichiometries, reaction fluxes (rate laws), and reaction forces (Gibbs energies of reaction) for the coarse-grained level. It can treat active transporters and molecular machines, and thus extends the applicability of ideas that originated in enzyme kinetics. Our results lay the foundations for systematic studies of the thermodynamics of large-scale biochemical reaction networks. Moreover, we identify the conditions under which a relation between one-way fluxes and forces holds at the coarse-grained level as it holds at the detailed level. In doing so, we clarify the speculations and broad claims made in the literature about such a general flux–force relation. As a further consequence we show that, in contrast to common belief, the second law of thermodynamics does not require the currents and the forces of biochemical reaction networks to be always aligned.

  10. Bayesian calibration of coarse-grained forces: Efficiently addressing transferability

    Patrone, Paul N.; Rosch, Thomas W.; Phelan, Frederick R.

    2016-01-01

    Generating and calibrating forces that are transferable across a range of state-points remains a challenging task in coarse-grained (CG) molecular dynamics. In this work, we present a coarse-graining workflow, inspired by ideas from uncertainty quantification and numerical analysis, to address this problem. The key idea behind our approach is to introduce a Bayesian correction algorithm that uses functional derivatives of CG simulations to rapidly and inexpensively recalibrate initial estimates f 0 of forces anchored by standard methods such as force-matching. Taking density-temperature relationships as a running example, we demonstrate that this algorithm, in concert with various interpolation schemes, can be used to efficiently compute physically reasonable force curves on a fine grid of state-points. Importantly, we show that our workflow is robust to several choices available to the modeler, including the interpolation schemes and tools used to construct f 0 . In a related vein, we also demonstrate that our approach can speed up coarse-graining by reducing the number of atomistic simulations needed as inputs to standard methods for generating CG forces.

  11. Bayesian calibration of coarse-grained forces: Efficiently addressing transferability

    Patrone, Paul N.; Rosch, Thomas W.; Phelan, Frederick R.

    2016-04-01

    Generating and calibrating forces that are transferable across a range of state-points remains a challenging task in coarse-grained (CG) molecular dynamics. In this work, we present a coarse-graining workflow, inspired by ideas from uncertainty quantification and numerical analysis, to address this problem. The key idea behind our approach is to introduce a Bayesian correction algorithm that uses functional derivatives of CG simulations to rapidly and inexpensively recalibrate initial estimates f0 of forces anchored by standard methods such as force-matching. Taking density-temperature relationships as a running example, we demonstrate that this algorithm, in concert with various interpolation schemes, can be used to efficiently compute physically reasonable force curves on a fine grid of state-points. Importantly, we show that our workflow is robust to several choices available to the modeler, including the interpolation schemes and tools used to construct f0. In a related vein, we also demonstrate that our approach can speed up coarse-graining by reducing the number of atomistic simulations needed as inputs to standard methods for generating CG forces.

  12. Coarse sediment oil persistence laboratory studies and model

    Humphrey, B.; Harper, J.R.

    1993-01-01

    To gain understanding of the factors which affect the fate of stranded oil on coarse sediment beaches, a series of oil penetration and tidal flushing experiments was conducted in columns containing sediments of two grain sizes: granules and pebbles. The experiments included changing oil properties by weathering and by emulsification. Factors examined included permeability, effective porosity, and residual capacity of the sediment for oil. The laboratory data provided input to an oil persistence model for coarse sediment beaches, and the model was modified on the basis of the new data. The permeability measurements suggest that the permeability of pebble/granule mixtures is close to that of the smaller component. For low viscosity oils, the permeability in coarse sediments is rapid enough to match the fall and rise of tidal water. Effective porosity of the pebbles was ca 90% of the measured porosity, but for both the granules and a 50-50 pebble/granule mixture, the effective porosity was ca 75% of measured porosity. Results of tidal flushing simulation imply that flushing may be rapid but not efficient. The emulsion completely entered the sediment in the case of pebbles only. 2 refs., 6 figs., 3 tabs

  13. Enhancement of properties of recycled coarse aggregate concrete using bacteria

    Sahoo; Arakha; Sarkar; P; Jha

    2016-01-01

    Due to rapid construction, necessity for raw materials of concrete, especially coarse aggregate, tends to increase the danger of early exhaustion of the natural resources. An alternative source of raw materials would perhaps delay the advent of this early exhaustion. Recycled coarse aggregate (RCA) plays a great role as an alternative raw material that can replace the natural coarse aggregate (NCA) for concrete. Previous studies show that the properties of RCA concrete are inferior in quality compared to NCA concrete. This article attempts to study the improvement of properties of RCA concrete with the addition of bacteria named as Bacillus subtilis. The experimental investigation was carried out to evaluate the improvement of the compressive strength, capillary water absorption, and drying shrinkage of RCA concrete incorporating bacteria. The compressive strength of RCA concrete is found to be increased by about 20% when the cell concentration of B. subtilis is 106 cells/ml. The capillary water absorption as well as drying shrinkage of RCA are reduced when bacteria is incorporated. The improvement of RCA concrete is confirmed to be due to the calcium carbonate precipitation as observed from the microstructure studies carried out on it such as EDX, SEM, and XRD.

  14. Coarse Point Cloud Registration by Egi Matching of Voxel Clusters

    Wang, Jinhu; Lindenbergh, Roderik; Shen, Yueqian; Menenti, Massimo

    2016-06-01

    Laser scanning samples the surface geometry of objects efficiently and records versatile information as point clouds. However, often more scans are required to fully cover a scene. Therefore, a registration step is required that transforms the different scans into a common coordinate system. The registration of point clouds is usually conducted in two steps, i.e. coarse registration followed by fine registration. In this study an automatic marker-free coarse registration method for pair-wise scans is presented. First the two input point clouds are re-sampled as voxels and dimensionality features of the voxels are determined by principal component analysis (PCA). Then voxel cells with the same dimensionality are clustered. Next, the Extended Gaussian Image (EGI) descriptor of those voxel clusters are constructed using significant eigenvectors of each voxel in the cluster. Correspondences between clusters in source and target data are obtained according to the similarity between their EGI descriptors. The random sampling consensus (RANSAC) algorithm is employed to remove outlying correspondences until a coarse alignment is obtained. If necessary, a fine registration is performed in a final step. This new method is illustrated on scan data sampling two indoor scenarios. The results of the tests are evaluated by computing the point to point distance between the two input point clouds. The presented two tests resulted in mean distances of 7.6 mm and 9.5 mm respectively, which are adequate for fine registration.

  15. Deformation and fracture of Coarse-grained Model of Filled Rubber Composites

    Hagita, Katsumi; Morita, Hiroshi; Doi, Masao; Takano, Hiroshi

    2011-03-01

    We presented a result of coarse-grained Molecular Dynamics simulation of filled polymer melts with Sulfur-crosslink under deformation based on the Kremer-Grest Model. Under uni-axial deformation (extension) by setting Poisson's ratio to less than 0.5, facture of this polymer nanocomoposites occurs due to volume increase for increasing the strain. In order to study facture behavior, we use the original Lennard Jones potential formula (with attractive part) as interaction between polymers. The size of simulation box under periodic boundary conditions (PBC) is set to about 133nm. We put 2048 fillers, 5120 polymer chains of 1024 particles, and many crosslink into the PBC box. Due to the crosslink, all polymer chains are connected to one network gel. One filler consists of 320 particles of the C320 fullerene structure. A repulsive force from the center of the filler is applied to the particles of C320 in order to make a sphere whose diameter is about 7nm. We can observe the fracture occurs due to void created near surface of fillers for the case that interaction between polymer and filler is relatively non- attractive. Various cases of Poisson's ratio and interaction between polymer and filler are examined.

  16. A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals.

    Sinitskiy, Anton V; Voth, Gregory A

    2015-09-07

    Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman's imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionist perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.

  17. A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals

    Sinitskiy, Anton V.; Voth, Gregory A.

    2015-01-01

    Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman’s imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionist perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments

  18. Influence of uncoated and coated plastic waste coarse aggregates to concrete compressive strength

    Purnomo Heru; Pamudji Gandjar; Satim Madsuri

    2017-01-01

    The use of plastic waste as coarse aggregates in concrete is part of efforts to reduce environmental pollution. In one hand the use of plastic as aggregates can provide lighter weight of the concrete than concrete using natural aggregates, but on the other hand bond between plastic coarse aggregates and hard matrix give low concrete compressive strength. Improvement of the bond between plastic coarse aggregate and hard matrix through a sand coating to plastic coarse aggregate whole surface is...

  19. Analytical reconstruction schemes for coarse-mesh spectral nodal solution of slab-geometry SN transport problems

    Barros, R. C.; Filho, H. A.; Platt, G. M.; Oliveira, F. B. S.; Militao, D. S.

    2009-01-01

    Coarse-mesh numerical methods are very efficient in the sense that they generate accurate results in short computational time, as the number of floating point operations generally decrease, as a result of the reduced number of mesh points. On the other hand, they generate numerical solutions that do not give detailed information on the problem solution profile, as the grid points can be located considerably away from each other. In this paper we describe two analytical reconstruction schemes for the coarse-mesh solution generated by the spectral nodal method for neutral particle discrete ordinates (S N ) transport model in slab geometry. The first scheme we describe is based on the analytical reconstruction of the coarse-mesh solution within each discretization cell of the spatial grid set up on the slab. The second scheme is based on the angular reconstruction of the discrete ordinates solution between two contiguous ordinates of the angular quadrature set used in the S N model. Numerical results are given so we can illustrate the accuracy of the two reconstruction schemes, as described in this paper. (authors)

  20. Computing the non-Markovian coarse-grained interactions derived from the Mori-Zwanzig formalism in molecular systems: Application to polymer melts

    Li, Zhen; Lee, Hee Sun; Darve, Eric; Karniadakis, George Em

    2017-01-01

    Memory effects are often introduced during coarse-graining of a complex dynamical system. In particular, a generalized Langevin equation (GLE) for the coarse-grained (CG) system arises in the context of Mori-Zwanzig formalism. Upon a pairwise decomposition, GLE can be reformulated into its pairwise version, i.e., non-Markovian dissipative particle dynamics (DPD). GLE models the dynamics of a single coarse particle, while DPD considers the dynamics of many interacting CG particles, with both CG systems governed by non-Markovian interactions. We compare two different methods for the practical implementation of the non-Markovian interactions in GLE and DPD systems. More specifically, a direct evaluation of the non-Markovian (NM) terms is performed in LE-NM and DPD-NM models, which requires the storage of historical information that significantly increases computational complexity. Alternatively, we use a few auxiliary variables in LE-AUX and DPD-AUX models to replace the non-Markovian dynamics with a Markovian dynamics in a higher dimensional space, leading to a much reduced memory footprint and computational cost. In our numerical benchmarks, the GLE and non-Markovian DPD models are constructed from molecular dynamics (MD) simulations of star-polymer melts. Results show that a Markovian dynamics with auxiliary variables successfully generates equivalent non-Markovian dynamics consistent with the reference MD system, while maintaining a tractable computational cost. Also, transient subdiffusion of the star-polymers observed in the MD system can be reproduced by the coarse-grained models. The non-interacting particle models, LE-NM/AUX, are computationally much cheaper than the interacting particle models, DPD-NM/AUX. However, the pairwise models with momentum conservation are more appropriate for correctly reproducing the long-time hydrodynamics characterised by an algebraic decay in the velocity autocorrelation function.

  1. Relation between aerosol sources and meteorological parameters for inhalable atmospheric particles in Sao Paulo City, Brazil

    Andrade, Fatima; Orsini, Celso; Maenhaut, Willy

    Stacked filter units were used to collect atmospheric particles in separate coarse and fine fractions at the Sao Paulo University Campus during the winter of 1989. The samples were analysed by particle-induced X-ray emission (PIXE) and the data were subjected to an absolute principal component analysis (APCA). Five sources were identified for the fine particles: industrial emissions, which accounted for 13% of the fine mass; emissions from residual oil and diesel, explaining 41%; resuspended soil dust, with 28%; and emissions of Cu and of Mg, together with 18%. For the coarse particles, four sources were identified: soil dust, accounting for 59% of the coarse mass; industrial emissions, with 19%; oil burning, with 8%; and sea salt aerosol, with 14% of the coarse mass. A data set with various meteorological parameters was also subjected to APCA, and a correlation analysis was performed between the meteorological "absolute principal component scores" (APCS) and the APCS from the fine and coarse particle data sets. The soil dust sources for the fine and coarse aerosol were highly correlated with each other and were anticorrelated with the sea breeze component. The industrial components in the fine and coarse size fractions were also highly positively correlated. Furthermore, the industrial component was related with the northeasterly wind direction and, to a lesser extent, with the sea breeze component.

  2. Effects of rumen-escape starch and coarseness of ingredients in pelleted concentrates on performance and rumen wall characteristics of rosé veal calves.

    Vestergaard, M; Jarltoft, T C; Kristensen, N B; Børsting, C F

    2013-08-01

    The objective was to study the effect of rumen-escape starch and coarseness of ingredients in pelleted concentrates on performance, carcass quality and rumen wall characteristics in rosé veal calf production. Two alternative concentrates (Coarse and Slow) were compared with a traditional (Control) concentrate. Control was based on finely ground ingredients, whereas in Coarse, the same ingredients were coarsely ground resulting in a mean particle size before pelleting of 1.5 in Coarse and 0.6 mm in Control. Slow compared with Control and Coarse contained finely ground sorghum and corn instead of barley and wheat which increased the amount of rumen-escape starch to 59 compared with 22 g/kg in Control and Coarse. All concentrates had the same total starch (362 g/kg), NDF (168 g/kg), CP (154 g/kg) and DE (15.5 MJ/kg DM) content and a pellet diameter of 3.5 to 4 mm. Use of an 'indicator of starch digestibility' method gave a value of 98.6% for Control and Coarse and 91.1% for Slow (P 0.05). Papillae length and shape evaluated in atrium ruminis and the cranial part of the ventral rumen sac at slaughter were not affected by type of concentrate (P > 0.05). Rumen wall characteristics showed degrees of plaque formation (i.e., papillary aggregation), hyperaemia and necrotic areas in all treatment groups, but with no general difference between type of concentrate (P > 0.05). Incidence of liver abscesses (LAs, 16%) was not affected by type of concentrate (P > 0.05). There were no differences in performance or rumen wall characteristics between liver-abscessed and non-abscessed calves. The results show a high level of production performance with the three types of pelleted concentrates and indicates that neither the more coarse ingredients nor the additional rumen-escape starch tested, when fed ad libitum, could improve rumen wall characteristics or reduce LAs of rosé veal calves.

  3. A System Based on the Internet of Things for Real-Time Particle Monitoring in Buildings

    Gonçalo Marques

    2018-04-01

    Full Text Available Occupational health can be strongly influenced by the indoor environment as people spend 90% of their time indoors. Although indoor air quality (IAQ is not typically monitored, IAQ parameters could be in many instances very different from those defined as healthy values. Particulate matter (PM, a complex mixture of solid and liquid particles of organic and inorganic substances suspended in the air, is considered the pollutant that affects more people. The most health-damaging particles are the ≤PM10 (diameter of 10 microns or less, which can penetrate and lodge deep inside the lungs, contributing to the risk of developing cardiovascular and respiratory diseases, as well as of lung cancer. This paper presents an Internet of Things (IoT system for real-time PM monitoring named iDust. This system is based on a WEMOS D1 mini microcontroller and a PMS5003 PM sensor that incorporates scattering principle to measure the value of particles suspended in the air (PM10, PM2.5, and PM1.0. Through a Web dashboard for data visualization and remote notifications, the building manager can plan interventions for enhanced IAQ and ambient assisted living (AAL. Compared to other solutions the iDust is based on open-source technologies, providing a total Wi-Fi system, with several advantages such as its modularity, scalability, low cost, and easy installation. The results obtained are very promising, representing a meaningful tool on the contribution to IAQ and occupational health.

  4. A System Based on the Internet of Things for Real-Time Particle Monitoring in Buildings.

    Marques, Gonçalo; Roque Ferreira, Cristina; Pitarma, Rui

    2018-04-21

    Occupational health can be strongly influenced by the indoor environment as people spend 90% of their time indoors. Although indoor air quality (IAQ) is not typically monitored, IAQ parameters could be in many instances very different from those defined as healthy values. Particulate matter (PM), a complex mixture of solid and liquid particles of organic and inorganic substances suspended in the air, is considered the pollutant that affects more people. The most health-damaging particles are the ≤PM 10 (diameter of 10 microns or less), which can penetrate and lodge deep inside the lungs, contributing to the risk of developing cardiovascular and respiratory diseases, as well as of lung cancer. This paper presents an Internet of Things (IoT) system for real-time PM monitoring named iDust. This system is based on a WEMOS D1 mini microcontroller and a PMS5003 PM sensor that incorporates scattering principle to measure the value of particles suspended in the air (PM 10 , PM 2.5 , and PM 1.0 ). Through a Web dashboard for data visualization and remote notifications, the building manager can plan interventions for enhanced IAQ and ambient assisted living (AAL). Compared to other solutions the iDust is based on open-source technologies, providing a total Wi-Fi system, with several advantages such as its modularity, scalability, low cost, and easy installation. The results obtained are very promising, representing a meaningful tool on the contribution to IAQ and occupational health.

  5. Fine and Coarse Particle Mass Concentrations and Emission Rates in the Workplace of a Detergent Industry

    Glytsos, T.; Ondráček, Jakub; Džumbová, Lucie; Eleftheriadis, K.; Lazaridis, M.

    2014-01-01

    Roč. 23, č. 6 (2014), s. 881-889 ISSN 1420-326X Institutional support: RVO:67985858 Keywords : emission rates * PM 10 * PM2,5 * mass balance model Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.225, year: 2014

  6. The influence of odd-even car trial on fine and coarse particles in Delhi.

    Kumar, Prashant; Gulia, Sunil; Harrison, Roy M; Khare, Mukesh

    2017-06-01

    The odd-even car trial scheme, which reduced car traffic between 08.00 and 20.00 h daily, was applied from 1 to 15 January 2016 (winter scheme, WS) and 15-30 April 2016 (summer scheme, SS). The daily average PM 2.5 and PM 10 exceeded national standards, with highest concentrations (313 μg m -3 and 639 μg m -3 , respectively) during winter and lowest (53 μg m -3 and 130 μg m -3 ) during the monsoon (June-August). PM concentrations during the trials can be interpreted either as reduced or increased, depending on the periods used for comparison purposes. For example, hourly average net PM 2.5 and PM 10 (after subtracting the baseline concentrations) reduced by up to 74% during the majority (after 1100 h) of trial hours compared with the corresponding hours during the previous year. Conversely, daily average PM 2.5 and PM 10 were higher by up to 3-times during the trial periods when compared with the pre-trial days. A careful analysis of the data shows that the trials generated cleaner air for certain hours of the day but the persistence of overnight emissions from heavy goods vehicles into the morning odd-even hours (0800-1100 h) made them probably ineffective at this time. Any further trial will need to be planned very carefully if an effect due to traffic alone is to be differentiated from the larger effect caused by changes in meteorology and especially wind direction. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  7. Information Theoretic Tools for Parameter Fitting in Coarse Grained Models

    Kalligiannaki, Evangelia

    2015-01-07

    We study the application of information theoretic tools for model reduction in the case of systems driven by stochastic dynamics out of equilibrium. The model/dimension reduction is considered by proposing parametrized coarse grained dynamics and finding the optimal parameter set for which the relative entropy rate with respect to the atomistic dynamics is minimized. The minimization problem leads to a generalization of the force matching methods to non equilibrium systems. A multiplicative noise example reveals the importance of the diffusion coefficient in the optimization problem.

  8. Nonlinear multigrid solvers exploiting AMGe coarse spaces with approximation properties

    Christensen, Max la Cour; Vassilevski, Panayot S.; Villa, Umberto

    2017-01-01

    discretizations on general unstructured grids for a large class of nonlinear partial differential equations, including saddle point problems. The approximation properties of the coarse spaces ensure that our FAS approach for general unstructured meshes leads to optimal mesh-independent convergence rates similar...... to those achieved by geometric FAS on a nested hierarchy of refined meshes. In the numerical results, Newton’s method and Picard iterations with state-of-the-art inner linear solvers are compared to our FAS algorithm for the solution of a nonlinear saddle point problem arising from porous media flow...

  9. Application of coarse-mesh methods to fluid dynamics equations

    Romstedt, P.; Werner, W.

    1977-01-01

    An Asymmetric Weighted Residual (ASWR) method for fluid dynamics equations is described. It leads to local operators with a 7-point Finite Difference (FD) structure, which is independent of the degree of the approximating polynomials. An 1-dimensional problem was solved by both this ASWR-method and a commonly used FD-method. The numerical results demonstrate that the ASWR-method combines high accuracy on a coarse computational mesh with short computing time per space point. The posibility of using fewer space points consequently brings about a considerable reduction in total running time for the ASWR-method as compared with conventional FD-methods. (orig.) [de

  10. An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale.

    McCarty, J; Clark, A J; Copperman, J; Guenza, M G

    2014-05-28

    Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is a coarse-grained model based on integral equation theory, which can represent polymer chains at variable levels of chemical details. The model is analytical and depends on molecular and thermodynamic parameters of the system under study, as well as on the direct correlation function in the k → 0 limit, c0. A numerical solution to the PRISM integral equations is used to determine c0, by adjusting the value of the effective hard sphere diameter, dHS, to agree with the predicted equation of state. This single quantity parameterizes the coarse-grained potential, which is used to perform mesoscale simulations that are directly compared with atomistic-level simulations of the same system. We test our coarse-graining formalism by comparing structural correlations, isothermal compressibility, equation of state, Helmholtz and Gibbs free energies, and potential energy and entropy using both united atom and coarse-grained descriptions. We find quantitative agreement between the analytical formalism for the thermodynamic properties, and the results of Molecular Dynamics simulations, independent of the chosen level of representation. In the mesoscale description, the potential energy of the soft-particle interaction becomes a free energy in the coarse-grained coordinates which preserves the excess free energy from an ideal gas across all levels of description. The structural consistency between the united-atom and mesoscale descriptions means the relative entropy between descriptions has been minimized without any variational optimization parameters. The approach is general and applicable to any polymeric system in different thermodynamic conditions.

  11. Multi-scale coarse-graining of non-conservative interactions in molecular liquids

    Izvekov, Sergei; Rice, Betsy M.

    2014-01-01

    A new bottom-up procedure for constructing non-conservative (dissipative and stochastic) interactions for dissipative particle dynamics (DPD) models is described and applied to perform hierarchical coarse-graining of a polar molecular liquid (nitromethane). The distant-dependent radial and shear frictions in functional-free form are derived consistently with a chosen form for conservative interactions by matching two-body force-velocity and three-body velocity-velocity correlations along the microscopic trajectories of the centroids of Voronoi cells (clusters), which represent the dissipative particles within the DPD description. The Voronoi tessellation is achieved by application of the K-means clustering algorithm at regular time intervals. Consistently with a notion of many-body DPD, the conservative interactions are determined through the multi-scale coarse-graining (MS-CG) method, which naturally implements a pairwise decomposition of the microscopic free energy. A hierarchy of MS-CG/DPD models starting with one molecule per Voronoi cell and up to 64 molecules per cell is derived. The radial contribution to the friction appears to be dominant for all models. As the Voronoi cell sizes increase, the dissipative forces rapidly become confined to the first coordination shell. For Voronoi cells of two and more molecules the time dependence of the velocity autocorrelation function becomes monotonic and well reproduced by the respective MS-CG/DPD models. A comparative analysis of force and velocity correlations in the atomistic and CG ensembles indicates Markovian behavior with as low as two molecules per dissipative particle. The models with one and two molecules per Voronoi cell yield transport properties (diffusion and shear viscosity) that are in good agreement with the atomistic data. The coarser models produce slower dynamics that can be appreciably attributed to unaccounted dissipation introduced by regular Voronoi re-partitioning as well as by larger

  12. Multi-scale coarse-graining of non-conservative interactions in molecular liquids

    Izvekov, Sergei, E-mail: sergiy.izvyekov.civ@mail.mil; Rice, Betsy M. [U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States)

    2014-03-14

    A new bottom-up procedure for constructing non-conservative (dissipative and stochastic) interactions for dissipative particle dynamics (DPD) models is described and applied to perform hierarchical coarse-graining of a polar molecular liquid (nitromethane). The distant-dependent radial and shear frictions in functional-free form are derived consistently with a chosen form for conservative interactions by matching two-body force-velocity and three-body velocity-velocity correlations along the microscopic trajectories of the centroids of Voronoi cells (clusters), which represent the dissipative particles within the DPD description. The Voronoi tessellation is achieved by application of the K-means clustering algorithm at regular time intervals. Consistently with a notion of many-body DPD, the conservative interactions are determined through the multi-scale coarse-graining (MS-CG) method, which naturally implements a pairwise decomposition of the microscopic free energy. A hierarchy of MS-CG/DPD models starting with one molecule per Voronoi cell and up to 64 molecules per cell is derived. The radial contribution to the friction appears to be dominant for all models. As the Voronoi cell sizes increase, the dissipative forces rapidly become confined to the first coordination shell. For Voronoi cells of two and more molecules the time dependence of the velocity autocorrelation function becomes monotonic and well reproduced by the respective MS-CG/DPD models. A comparative analysis of force and velocity correlations in the atomistic and CG ensembles indicates Markovian behavior with as low as two molecules per dissipative particle. The models with one and two molecules per Voronoi cell yield transport properties (diffusion and shear viscosity) that are in good agreement with the atomistic data. The coarser models produce slower dynamics that can be appreciably attributed to unaccounted dissipation introduced by regular Voronoi re-partitioning as well as by larger

  13. Apseudo-fluid representation of vertical liquid–coarse solids flow

    ZORANA ARSENIJEVIC

    2005-05-01

    Full Text Available The pseudo–fluid concept has been applied for the prediction of the pressure gradient and voidage in vertical liquid-coarse solids flow. Treating the flowing mixture as a single homogenous fluid, the correlation for the friction coefficient of the suspension–wall was developed, as was the correlation between the true voidage and the apparent (volumetric voidage in the transport tube. Experiments were performed using water and spherical glass particles 1.20, 1.94 and 2.98 mm in diameter in a transport tube of 24 mm in diameter. The loading ratio (Gp/Gf was varied between 0.05 and 1.05 and the fluid superficial velocity was between 0.4 Ut and 4.95 Ut where Ut represents the single particle terminal velocity. The voidage ranged from 0.648 to 0.951 for these ratios. Experimental data for the pressure gradient and voidage from the literature agree well with the proposed correlations.

  14. A nucleobase-centered coarse-grained representation for structure prediction of RNA motifs.

    Poblete, Simón; Bottaro, Sandro; Bussi, Giovanni

    2018-02-28

    We introduce the SPlit-and-conQueR (SPQR) model, a coarse-grained (CG) representation of RNA designed for structure prediction and refinement. In our approach, the representation of a nucleotide consists of a point particle for the phosphate group and an anisotropic particle for the nucleoside. The interactions are, in principle, knowledge-based potentials inspired by the $\\mathcal {E}$SCORE function, a base-centered scoring function. However, a special treatment is given to base-pairing interactions and certain geometrical conformations which are lost in a raw knowledge-based model. This results in a representation able to describe planar canonical and non-canonical base pairs and base-phosphate interactions and to distinguish sugar puckers and glycosidic torsion conformations. The model is applied to the folding of several structures, including duplexes with internal loops of non-canonical base pairs, tetraloops, junctions and a pseudoknot. For the majority of these systems, experimental structures are correctly predicted at the level of individual contacts. We also propose a method for efficiently reintroducing atomistic detail from the CG representation.

  15. Variation of particle number size distributions and chemical compositions at the urban and downwind regional sites in the Pearl River Delta during summertime pollution episodes

    Yue, D. L.; Hu, M.; Wu, Z. J.; Guo, S.; Wen, M. T.; Nowak, A.; Wehner, B.; Wiedensohler, A.; Takegawa, N.; Kondo, Y.; Wang, X. S.; Li, Y. P.; Zeng, L. M.; Zhang, Y. H.

    2010-10-01

    In order to characterize the features of particulate pollution in the Pearl River Delta (PRD) in the summer, continuous measurements of particle number size distributions and chemical compositions were simultaneously performed at Guangzhou urban site (GZ) and Back-garden downwind regional site (BG) in July 2006. Particle number concentration from 20 nm to 10 μm at BG was (1.7±0.8)×104 cm-3, about 40% lower than that at GZ, (2.9±1.1)×104 cm-3. The total particle volume concentration at BG was 94±34 μm3 cm-3, similar to that at GZ, 96±43 μm3 cm-3. More 20-100 nm particles, significantly affected by the traffic emissions, were observed at GZ, while 100-660 nm particle number concentrations were similar at both sites as they are more regional. PM2.5 values were similar at GZ (69±43 μg m-3) and BG (69±58 μg m-3) with R2 of 0.71 for the daily average PM2.5 at these two sites, indicating the fine particulate pollution in the PRD region to be regional. Two kinds of pollution episodes, the accumulation pollution episode and the regional transport pollution episode, were observed. Fine particles over 100 nm dominated both number and volume concentrations of total particles during the late periods of these pollution episodes. Accumulation and secondary transformation are the main reasons for the nighttime accumulation pollution episode. SO42-, NO3- accounted for about 60% in 100-660 nm particle mass and PM2.5 increase. When south or southeast wind prevailed in the PRD region, regional transport of pollutants took place. Regional transport contributed about 30% to fine particulate pollution at BG during a regional transport case. Secondary transformation played an important role during regional transport, causing higher increase rates of secondary ions in PM1.0 than other species and shifting the peaks of sulfate and ammonium mass size distributions to larger sizes. SO42-, NO3-, and NH4+ accounted for about 70% and 40% of PM1.0 and PM2.5, respectively.

  16. Multiscale coarse-graining of the protein energy landscape.

    Ronald D Hills

    2010-06-01

    Full Text Available A variety of coarse-grained (CG models exists for simulation of proteins. An outstanding problem is the construction of a CG model with physically accurate conformational energetics rivaling all-atom force fields. In the present work, atomistic simulations of peptide folding and aggregation equilibria are force-matched using multiscale coarse-graining to develop and test a CG interaction potential of general utility for the simulation of proteins of arbitrary sequence. The reduced representation relies on multiple interaction sites to maintain the anisotropic packing and polarity of individual sidechains. CG energy landscapes computed from replica exchange simulations of the folding of Trpzip, Trp-cage and adenylate kinase resemble those of other reduced representations; non-native structures are observed with energies similar to those of the native state. The artifactual stabilization of misfolded states implies that non-native interactions play a deciding role in deviations from ideal funnel-like cooperative folding. The role of surface tension, backbone hydrogen bonding and the smooth pairwise CG landscape is discussed. Ab initio folding aside, the improved treatment of sidechain rotamers results in stability of the native state in constant temperature simulations of Trpzip, Trp-cage, and the open to closed conformational transition of adenylate kinase, illustrating the potential value of the CG force field for simulating protein complexes and transitions between well-defined structural states.

  17. An exactly solvable coarse-grained model for species diversity

    Suweis, Samir; Rinaldo, Andrea; Maritan, Amos

    2012-07-01

    We present novel analytical results concerning ecosystem species diversity that stem from a proposed coarse-grained neutral model based on birth-death processes. The relevance of the problem lies in the urgency for understanding and synthesizing both theoretical results from ecological neutral theory and empirical evidence on species diversity preservation. The neutral model of biodiversity deals with ecosystems at the same trophic level, where per capita vital rates are assumed to be species independent. Closed-form analytical solutions for the neutral theory are obtained within a coarse-grained model, where the only input is the species persistence time distribution. Our results pertain to: the probability distribution function of the number of species in the ecosystem, both in transient and in stationary states; the n-point connected time correlation function; and the survival probability, defined as the distribution of time spans to local extinction for a species randomly sampled from the community. Analytical predictions are also tested on empirical data from an estuarine fish ecosystem. We find that emerging properties of the ecosystem are very robust and do not depend on specific details of the model, with implications for biodiversity and conservation biology.

  18. Effects of Elevated Temperature on Concrete with Recycled Coarse Aggregates

    Salau, M. A.; Oseafiana, O. J.; Oyegoke, T. O.

    2015-11-01

    This paper discusses the effects of heating temperatures of 200°C, 400°C and 600°C each for 2 hours at a heating rate of 2.5°C/min on concrete with the content of Natural Coarse Aggregates (NCA) partially replaced with Recycled Coarse Aggregates (RCA), obtained from demolished building in the ratio of 0%, 15% and 30%.There was an initial drop in strength from 100°C to 200°C which is suspected to be due to the relatively weak interfacial bond between the RCA and the hardened paste within the concrete matrix;a gradual increase in strength continued from 200°C to 450°C and steady drop occurred again as it approached 600°C.With replacement proportion of 0%, 15% and 30% of NCA and exposure to peak temperature of 600°C, a relative concrete strength of 23.6MPa, 25.3MPa and 22.2MPa respectively can be achieved for 28 days curing age. Furthermore, RAC with 15% NCA replacement when exposed to optimum temperature of 450°C yielded high compressive strength comparable to that of control specimen (normal concrete). In addition, for all concrete samples only slight surface hairline cracks were noticed as the temperature approached 400°C. Thus, the RAC demonstrated behavior just like normal concrete and may be considered fit for structural use.

  19. An exactly solvable coarse-grained model for species diversity

    Suweis, Samir; Maritan, Amos; Rinaldo, Andrea

    2012-01-01

    We present novel analytical results concerning ecosystem species diversity that stem from a proposed coarse-grained neutral model based on birth–death processes. The relevance of the problem lies in the urgency for understanding and synthesizing both theoretical results from ecological neutral theory and empirical evidence on species diversity preservation. The neutral model of biodiversity deals with ecosystems at the same trophic level, where per capita vital rates are assumed to be species independent. Closed-form analytical solutions for the neutral theory are obtained within a coarse-grained model, where the only input is the species persistence time distribution. Our results pertain to: the probability distribution function of the number of species in the ecosystem, both in transient and in stationary states; the n-point connected time correlation function; and the survival probability, defined as the distribution of time spans to local extinction for a species randomly sampled from the community. Analytical predictions are also tested on empirical data from an estuarine fish ecosystem. We find that emerging properties of the ecosystem are very robust and do not depend on specific details of the model, with implications for biodiversity and conservation biology. (paper)

  20. Shear localization and microstructure in coarse grained beta titanium alloy

    Wang, Bingfeng, E-mail: biw009@ucsd.edu [State Key Laboratory for Powder Metallurgy, Central South University, Changsha, Hunan (China); School of Materials Science and Engineering, Central South University, Changsha, Hunan (China); Department of Mechanical and Aerospace Engineering, University of California, San Diego, United States of America (United States); Key Lab of Nonferrous Materials, Ministry of Education, Central South University, Changsha, Hunan (China); Wang, Xiaoyan [State Key Laboratory for Powder Metallurgy, Central South University, Changsha, Hunan (China); School of Materials Science and Engineering, Central South University, Changsha, Hunan (China); Li, Zezhou [Department of Mechanical and Aerospace Engineering, University of California, San Diego, United States of America (United States); Ma, Rui [School of Materials Science and Engineering, Central South University, Changsha, Hunan (China); Zhao, Shiteng [Department of Mechanical and Aerospace Engineering, University of California, San Diego, United States of America (United States); Xie, Fangyu [State Key Laboratory for Powder Metallurgy, Central South University, Changsha, Hunan (China); School of Materials Science and Engineering, Central South University, Changsha, Hunan (China); Zhang, Xiaoyong [State Key Laboratory for Powder Metallurgy, Central South University, Changsha, Hunan (China)

    2016-01-15

    Adiabatic shear localization plays an important role in the deformation and failure of the coarse grained beta titanium alloy Ti-5 Al-5 Mo-5 V-1 Cr-1 Fe with grain size about 1 mm at high strain rate deformation. Hat shaped specimens with different nominal shear strains are used to induce the formation of shear bands under the controlled shock-loading experiments. The true stress in the specimens can reach about 1040 MPa where the strain is about 1.83. The whole shear localization process lasts about 35 μs. The microstructures within the shear band are investigated by optical microscopy, scanning electron microscopy / electron backscatter diffraction, and transmission electron microscopy. The results show that the width of the shear bands decreases with increasing nominal shear strain, and the grains in the transition region near the shear band are elongated along the shear band, and the core of the shear band consists of the ultrafine deformed grains with width of 0.1 μm and heavy dislocations. With the aims of accommodating the imposed shear strain and maintaining neighboring grain compatibility, the grain subdivision continues to take place within the band. A fiber texture is formed in the core of the shear band. The calculated temperature rise in the shear band can reach about 722 K. Dynamic recovery is responsible for the formation of the microstructure in coarse grained beta titanium alloy.

  1. Coarse grain model for coupled thermo-mechano-chemical processes and its application to pressure-induced endothermic chemical reactions

    Antillon, Edwin; Banlusan, Kiettipong; Strachan, Alejandro

    2014-01-01

    We extend a thermally accurate model for coarse grain dynamics (Strachan and Holian 2005 Phys. Rev. Lett. 94 014301) to enable the description of stress-induced chemical reactions in the degrees of freedom internal to the mesoparticles. Similar to the breathing sphere model, we introduce an additional variable that describes the internal state of the particles and whose dynamics is governed both by an internal potential energy function and by interparticle forces. The equations of motion of these new variables are derived from a Hamiltonian and the model exhibits two desired features: total energy conservation and Galilean invariance. We use a simple model material with pairwise interactions between particles and study pressure-induced chemical reactions induced by hydrostatic and uniaxial compression. These examples demonstrate the ability of the model to capture non-trivial processes including the interplay between mechanical, thermal and chemical processes of interest in many applications. (paper)

  2. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  3. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  4. Non-periodic molecular dynamics simulations of coarse grained lipid bilayer in water

    Kotsalis, E. M.; Hanasaki, I.; Walther, Jens Honore

    2010-01-01

    We present a multiscale algorithm that couples coarse grained molecular dynamics (CGMD) with continuum solver. The coupling requires the imposition of non-periodic boundary conditions on the coarse grained Molecular Dynamics which, when not properly enforced, may result in spurious fluctuations o...... in simulating more complex systems by performing a non-periodic Molecular Dynamics simulation of a DPPC lipid in liquid coarse grained water.......We present a multiscale algorithm that couples coarse grained molecular dynamics (CGMD) with continuum solver. The coupling requires the imposition of non-periodic boundary conditions on the coarse grained Molecular Dynamics which, when not properly enforced, may result in spurious fluctuations...... of the material properties of the system represented by CGMD. In this paper we extend a control algorithm originally developed for atomistic simulations [3], to conduct simulations involving coarse grained water molecules without periodic boundary conditions. We demonstrate the applicability of our method...

  5. Experimental study on waves propagation over a coarse-grained sloping beach

    Hsu, Tai-Wen; Lai, Jian-Wu

    2013-04-01

    This study investigates velocity fields of wave propagation over a coarse-grained sloping beach using laboratory experiments. The experiment was conducted in a wave flume of 25 m long, 0.5 m wide and 0.6 m high in which a coarse-grained sloping 1:5 beach was placed with two layers ball. The glass ball is D=7.9 cm and the center to center distance of each ball is 8.0 cm. The test section for observing wave and flow fields is located at the middle part of the flume. A piston type wave maker driven by an electromechanical hydraulic serve system is installed at the end of the flume. The intrinsic permeability Kp and turbulent drag coefficient Cf were obtained from steady flow water-head experiments. The flow velocity was measured by the particle image velocimeter (PIV) and digital image process (DIP) techniques. Eleven fields of view (FOVS) were integrated into a complete representation including the outer, surf and swash zone. Details of the definition sketch of the coarse-grained sloping beach model as well as experimental setup are referred to Lai et al. (2008). A high resolution of CCD camera was used to capture the images which was calibrated by the direct linear transform (DCT) algorithm proposed by Abed El-Aziz and Kar-Ara (1971). The water surface between the interface of air and water at each time step are calculated by Otsu' (1978) detect algorithm. The comparison shows that the water surface elevation observed by integrated image agrees well with that of Otsu' detection results. For the flow field measurement, each image pair was cross correlated with 32X32 pixel inter rogation window and a half overlap between adjacent windows. The repeatability and synchronization are the key elements for both wave motion and PIV technique. The wave profiles and flow field were compared during several wave periods to ensure that they can be reproduced by the present system. The water depth is kept as a constant of h=32 cm. The incident wave conditions are set to be wave

  6. Reactor calculation in coarse mesh by finite element method applied to matrix response method

    Nakata, H.

    1982-01-01

    The finite element method is applied to the solution of the modified formulation of the matrix-response method aiming to do reactor calculations in coarse mesh. Good results are obtained with a short running time. The method is applicable to problems where the heterogeneity is predominant and to problems of evolution in coarse meshes where the burnup is variable in one same coarse mesh, making the cross section vary spatially with the evolution. (E.G.) [pt

  7. Coarse-grain parallelism using remote method invocation

    Hebert, A. [Ecole Polytechnique de Montreal, Qc. (Canada)

    2003-07-01

    The paper describes a user-oriented framework specifically designed to facilitate the development and supervision of coarse-grain parallel applications in reactor physics. The proposed user-oriented framework was designed and implemented in Java, in such a way to obtain a simple and robust application. The proposed approach is based on Java Native Interface(JNI) for integrating the Fortran legacy code and on Remote Method Invocation (RMI) for distributing the calculation load over the farm of processors. Dynamic code downloading over the network is possible. We are presenting the application of this approach to supervision of lattice calculations using the open source Dragon code. The Java layer surrounding Dragon can also be used to construct execution procedures, computational schemes and graphical user interfaces. This approach can be used with any existing legacy Fortran code, as soon as its input/output data structures are Dragon-compatible. (author)

  8. Coarse-grain parallelism using remote method invocation

    Hebert, A.

    2003-01-01

    The paper describes a user-oriented framework specifically designed to facilitate the development and supervision of coarse-grain parallel applications in reactor physics. The proposed user-oriented framework was designed and implemented in Java, in such a way to obtain a simple and robust application. The proposed approach is based on Java Native Interface(JNI) for integrating the Fortran legacy code and on Remote Method Invocation (RMI) for distributing the calculation load over the farm of processors. Dynamic code downloading over the network is possible. We are presenting the application of this approach to supervision of lattice calculations using the open source Dragon code. The Java layer surrounding Dragon can also be used to construct execution procedures, computational schemes and graphical user interfaces. This approach can be used with any existing legacy Fortran code, as soon as its input/output data structures are Dragon-compatible. (author)

  9. New procedure for criticality search using coarse mesh nodal methods

    Pereira, Wanderson F.; Silva, Fernando C. da; Martinez, Aquilino S.

    2011-01-01

    The coarse mesh nodal methods have as their primary goal to calculate the neutron flux inside the reactor core. Many computer systems use a specific form of calculation, which is called nodal method. In classical computing systems that use the criticality search is made after the complete convergence of the iterative process of calculating the neutron flux. In this paper, we proposed a new method for the calculation of criticality, condition which will be over very iterative process of calculating the neutron flux. Thus, the processing time for calculating the neutron flux was reduced by half compared with the procedure developed by the Nuclear Engineering Program of COPPE/UFRJ (PEN/COPPE/UFRJ). (author)

  10. New procedure for criticality search using coarse mesh nodal methods

    Pereira, Wanderson F.; Silva, Fernando C. da; Martinez, Aquilino S., E-mail: wneto@con.ufrj.b, E-mail: fernando@con.ufrj.b, E-mail: Aquilino@lmp.ufrj.b [Coordenacao dos Programas de Pos-Graduacao de Engenharia (PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Programa de Engenharia Nuclear

    2011-07-01

    The coarse mesh nodal methods have as their primary goal to calculate the neutron flux inside the reactor core. Many computer systems use a specific form of calculation, which is called nodal method. In classical computing systems that use the criticality search is made after the complete convergence of the iterative process of calculating the neutron flux. In this paper, we proposed a new method for the calculation of criticality, condition which will be over very iterative process of calculating the neutron flux. Thus, the processing time for calculating the neutron flux was reduced by half compared with the procedure developed by the Nuclear Engineering Program of COPPE/UFRJ (PEN/COPPE/UFRJ). (author)

  11. Motivations to leave coarse woody debris in private forests

    Boon, Tove Enggrob; Meilby, Henrik; Andersen, Anne Sofie Kirkegaard

    2014-01-01

    costs and benefits incurred? Based on the theory of planned behaviour, the aim of this study is to investigate forest owners’ motivation to integrate nature concerns in forest management. As criteria for choosing a relevant case, we looked for a measure that has a potential to significantly improve...... biodiversity, has political attention, is tangible, constitutes something any forest owner can do even on a small area of land, involves potential trade-offs with other management goals, and, preferably something that most forest owners and their personal network would have an opinion about.......Based on these criteria, we selected the case of leaving coarse woody debris on the forest floor. A survey questionnaire was designed and sent to 1434 private forest owners in Denmark, 686 of whom answered. The presentation includes the first results of the analysis....

  12. Post-irradiation annealing of coarse-grained model alloys

    Ray, P H.N.; Wilson, C; McElroy, R J [AEA Reactor Services, Harwell (United Kingdom)

    1994-12-31

    Thermal ageing and irradiation studies have been carried out on three model alloys (JPC, JPB, JPG) that have identical compositions except for different levels of phosphorus and/or copper. They have been irradiated in three conditions, as-received, heat treated to produce a coarse grained microstructure (similar to heat-affected-zone), and in this condition further aged at 450 C to produce a temper embrittled condition. One of the alloy have been subject to a post-irradiation anneal. The effect of these treatments on mechanical property changes has been characterized by Charpy testing and Vickers hardness measurements; the phosphorus segregation has been studied by a combination of STEM and Auger techniques.

  13. Coarse-graining as a downward causation mechanism

    Flack, Jessica C.

    2017-11-01

    Downward causation is the controversial idea that `higher' levels of organization can causally influence behaviour at `lower' levels of organization. Here I propose that we can gain traction on downward causation by being operational and examining how adaptive systems identify regularities in evolutionary or learning time and use these regularities to guide behaviour. I suggest that in many adaptive systems components collectively compute their macroscopic worlds through coarse-graining. I further suggest we move from simple feedback to downward causation when components tune behaviour in response to estimates of collectively computed macroscopic properties. I introduce a weak and strong notion of downward causation and discuss the role the strong form plays in the origins of new organizational levels. I illustrate these points with examples from the study of biological and social systems and deep neural networks. This article is part of the themed issue 'Reconceptualizing the origins of life'.

  14. Recycled concrete with coarse recycled aggregate. An overview and analysis

    B. González-Fonteboa

    2018-04-01

    Full Text Available The construction field has contributed to environmental degradation, producing a high amount of construction and demolition waste (C&D waste and consuming large volumes of natural resources. In this context, recycled concrete (RC has been recognised as a means to preserve natural resources and reduce space for waste storage. During the last decades, many researchers have developed works studying different recycled concrete properties. This review focuses on structural RC made with coarse recycled aggregate from concrete waste. The main objective is to provide a state of the art report on RC’s properties and an analysis on how to predict them taking into account relevant research works. Moreover, the study tries to collect and update RC findings, proposing equations to define RC’s performance, in terms of mechanical strength, modulus of elasticity, stress-strain, creep and shrinkage.

  15. Model Reduction and Coarse-Graining Approaches for Multiscale Phenomena

    Gorban, Alexander N; Theodoropoulos, Constantinos; Kazantzis, Nikolaos K; Öttinger, Hans Christian

    2006-01-01

    Model reduction and coarse-graining are important in many areas of science and engineering. How does a system with many degrees of freedom become one with fewer? How can a reversible micro-description be adapted to the dissipative macroscopic model? These crucial questions, as well as many other related problems, are discussed in this book. Specific areas of study include dynamical systems, non-equilibrium statistical mechanics, kinetic theory, hydrodynamics and mechanics of continuous media, (bio)chemical kinetics, nonlinear dynamics, nonlinear control, nonlinear estimation, and particulate systems from various branches of engineering. The generic nature and the power of the pertinent conceptual, analytical and computational frameworks helps eliminate some of the traditional language barriers, which often unnecessarily impede scientific progress and the interaction of researchers between disciplines such as physics, chemistry, biology, applied mathematics and engineering. All contributions are authored by ex...

  16. Characteristics of thin and coarse particulates of urban and natural brazilian aerosols

    Orsini, C.Q.; Tabacnics, M.H.; Artaxo, P.; Andrade, M.F.; Kerr, A.S.

    1994-01-01

    Thin and coarse particulate were sampled during the period 1982-1985 in a natural coastal forest (Jureia), and five urban-industrial regions (Vitoria, Salvador, Porto Alegre, Sao Paulo and Belo Horizonte). The time variation of the concentration in the air, and the relative elementary composition of the thin and coarse particulate, sampled by thin and Coarse Particulate Sampler (AFG), were determined by gravimetric method and PIXE analysis respectively. The results demonstrated that the ground dust and salt from the sea are unequivocally one of the largest sources of coarse particulate, and also the ground is a significant thin particulate source. 25 refs, 22 figs, 28 tabs. (L.C.J.A.)

  17. Importance of Coarse Woody Debris to Avian Communities in Loblolly Pine Forests

    Lohr, S.M.; Gauthreaux, S.A.; Kilgo, J.C.

    2001-06-14

    Investigates the importance of standing and down coarse woody debris to bird communities in loblolly pine forests, researchers compared breeding and nonbreeding responses of birds among two coarse woody debris removal and control treatments. Quantification of vegetation layers to determine their effects on the experimental outcome coarse woody debris removal had no effect on the nonbreeding bird community. Most breeding and nonbreeding species used habitats with sparse midstory and well-developed understory, where as sparse canopy cover and dense midstory were important to some nonbreeding species. Snag and down coarse woody debris practices that maintain a dense understory, sparse midstory and canopy will create favorable breeding habitat.

  18. Local and regional sources of fine and coarse particulate matter based on traffic and background monitoring

    Dimitriou, Konstantinos; Kassomenos, Pavlos

    2014-05-01

    The aim of this study was to identify local and exogenous sources affecting particulate matter (PM) levels in five major cities of Northern Europe namely: London, Paris, Hamburg, Copenhagen and Stockholm. Besides local emissions, PM profile at urban and suburban areas of the European Union (EU) is also influenced by regional PM sources due to atmospheric transport, thus geographical city distribution is of a great importance. At each city, PM10, PM2.5, NO2, SO2, CO and O3 air pollution data from two air pollution monitoring stations of the EU network were used. Different background characteristics of the selected two sampling sites at each city facilitated comparisons, providing a more exact analysis of PM sources. Four source apportionment methods: Pearson correlations among the levels of particulates and gaseous pollutants, characterisation of primal component analysis components, long-range transport analysis and extrapolation of PM size distribution ratios were applied. In general, fine (PM2.5) and coarse (PM10) particles were highly correlated, thus common sources are suggested. Combustion-originated gaseous pollutants (CO, NO2, SO2) were strongly associated to PM10 and PM2.5, primarily at areas severely affected by traffic. On the contrary, at background stations neighbouring important natural sources of particles or situated in suburban areas with rural background, natural emissions of aerosols were indicated. Series of daily PM2.5/PM10 ratios showed that minimum fraction values were detected during warm periods, due to higher volumes of airborne biogenic PM coarse, mainly at stations with important natural sources of particles in their vicinity. Hybrid single-particle Lagrangian integrated trajectory model was used, in order to extract 4-day backward air mass trajectories that arrived in the five cities which are under study during days with recorded PM10 exceedances. At all five cities, a significantly large fraction of those trajectories were classified

  19. Selection Of Suitable Particle Size And Particle Ratio For Japanese Cucumber Cucumis Sativus L. Plants

    Galahitigama GAH

    2015-08-01

    Full Text Available This study was conducted to select the best particle size of coco peat for cucumber nurseries as well as best particle ratio for optimum plant growth and development of cucumber. The experiment was carried out in International Foodstuff Company and Faculty of Agriculture University of Ruhuna Sri Lanka during 2015 to 2016. Under experiment one three types of different particle sizes were used namely fine amp88040.5mm T2 medium 3mm-0.5mm T3 and coarse 4mm T4 with normal coco peat T1 as treatments. Complete Randomized Design CRD used as experimental design with five replicates. Germination percentage number of leaves per seedling seedling height in frequent day intervals was taken as growth parameters. Analysis of variance procedure was applied to analyze the data at 5 probability level. The results revealed that medium size particle media sieve size 0.5mm -3mm of coco peat was the best particle size for cucumber nursery practice when considered the physical and chemical properties of medium particles of coco peat. In the experiment of selecting of suitable particle ratio for cucumber plants the compressed mixture of coco peat particles that contain 70 ww unsieved coco peat 20 ww coarse particles and 10 ww coconut husk chips 5 12mm has given best results for growth performances compared to other treatments and cucumber grown in this mixture has shown maximum growth and yield performances.

  20. Two-phase flow in beds of spherical particles

    Schulenberg, T.; Mueller, U.

    1984-02-01

    A refined model for two-phase flow in beds of uniform spherical particles is presented. It includes the influence of interfacial drag forces between liquid and gas, which are important in beds of coarse particles, and an incrase of porosity due to vapour channels or similiar irreversible bed disturbances, which occur in beds of fine particles. The model is based on the momentum equations for separated flow, which are closed with empirical relations for wall shear stress and interfacial drag. To improve this model it is applied to volumetrically heated beds on a adiabatic bottom, which are saturated and superimposed with a boiling liquid. In case of fine particles only an impermeable bottom is considered, whereas in case of coarse particles also beds on a permeable support are discussed. (orig.) [de

  1. Effect of fly ash on the strength of porous concrete using recycled coarse aggregate to replace low-quality natural coarse aggregate

    Arifi, Eva; Cahya, Evi Nur; Christin Remayanti, N.

    2017-09-01

    The performance of porous concrete made of recycled coarse aggregate was investigated. Fly ash was used as cement partial replacement. In this study, the strength of recycled aggregate was coMPared to low quality natural coarse aggregate which has high water absorption. Compression strength and tensile splitting strength test were conducted to evaluate the performance of porous concrete using fly ash as cement replacement. Results have shown that the utilization of recycled coarse aggregate up to 75% to replace low quality natural coarse aggregate with high water absorption increases compressive strength and splitting tensile strength of porous concrete. Using fly ash up to 25% as cement replacement improves compressive strength and splitting tensile strength of porous concrete.

  2. Acute exposure to fine and coarse particulate matter and infant mortality in Tokyo, Japan (2002-2013).

    Yorifuji, Takashi; Kashima, Saori; Doi, Hiroyuki

    2016-05-01

    Few studies have evaluated the effect of short-term exposure to particulate matter (PM) less than 2.5μm in diameter (PM2.5) or to coarse particles on infant mortality. We evaluated the association between short-term exposure to PM and infant mortality in Japan and assessed whether adverse health effects were observable at PM concentrations below Japanese air quality guidelines. We used a time-stratified, case-crossover design. The participants included 2086 infants who died in the 23 urbanized wards of the Tokyo Metropolitan Government between January 2002 and December 2013. We obtained measures of PM2.5 and suspended particulate matter (SPM; PMPM7-2.5 by subtracting PM2.5 from SPM. We then used conditional logistic regression to analyze the data. Same-day PM2.5 was associated with increased risks of infant and postneonatal mortality, especially for mortality related to respiratory causes. For a 10μg/m(3) increase in PM2.5, the odds ratios were 1.06 (95% confidence interval: 1.01-1.12) for infant mortality and 1.10 (1.02-1.19) for postneonatal mortality. PM7-2.5 was also associated with an increased risk of postneonatal mortality, independent of PM2.5. Even when PM2.5 and SPM concentrations were below Japanese air quality guidelines, we observed adverse health effects. This study provides further evidence that acute exposure to PM2.5 and coarse particles (PM7-2.5) is associated with an increased risk of infant mortality. Further, rigorous evaluation of air quality guidelines for daily average PM2.5 and larger particles is needed. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Particle Emissions from Biomass Combustion

    Szpila, Aneta; Bohgard, Mats [Lund Inst. of Technology (Sweden). Div. of Ergonomics and Aerosol Technology; Strand, Michael; Lillieblad, Lena; Sanati, Mehri [Vaexjoe Univ. (Sweden). Div. of Bioenergy Technology; Pagels, Joakim; Rissler, Jenny; Swietlicki, Erik; Gharibi, Arash [Lund Univ. (Sweden). Div. of Nuclear Physics

    2003-05-01

    We have shown that high concentrations of fine particles of the order of 2-7x10{sup -7} particles per cm{sup 3} are being formed in all the combustion units studied. There was a higher difference between the units in terms of particle mass concentrations. While the largest differences was found for gas-phase constituents (CO and THC) and polyaromatic hydrocarbons. In 5 out of 7 studied units, multi-cyclones were the only measure for flue-gas separation. The multicyclones had negligible effect on the particle number concentration and a small effect on the mass of particles smaller than 5 {mu}m. The separation efficiency was much higher for the electrostatic precipitators. The boiler load had a dramatic influence on the coarse mode concentration during combustion of forest residue. PM0.8-6 increased from below 5 mg/m{sup 3} to above 50 mg/m{sup 3} even at a moderate change in boiler load from medium to high. A similar but less pronounced trend was found during combustion of dry wood. PM0.8-PM6 increased from 12 to 23 mg/m{sup 3} when the load was changed from low to high. When increasing the load, the primary airflow taken through the grate is increased; this itself may lead to a higher potential of the air stream to carry coarse particles away from the combustion zone. Measurements with APS-instrument with higher time-resolution showed a corresponding increase in coarse mode number concentration with load. Additional factor influencing observed higher concentration of coarse mode during combustion of forest residues, could be relatively high ash content in this type of fuel (2.2 %) in comparison to dry wood (0.3 %) and pellets (0.5 %). With increasing load we also found a decrease in PM1 during combustion of forest residue. Whether this is caused by scavenging of volatilized material by the high coarse mode concentration or a result of a different amount of volatilized material available for formation of fine particles needs to be shown in future studies. The

  4. Coarse grained MD simulations of a fracture of filler-filled polymer nanocomposites under uniaxial elongation

    Hagita, Katsumi; Morita, Hiroshi; Takano, Hiroshi

    We performed coarse grained molecular dynamics (MD) simulations based on Kremer-Grest model in order to investigate a fracture of polymer nanocomposites filled with spherical nanoparticles (NPs) under uniaxial elongation with a Poisson ratio of 0.4. In our model, the NP consists of 320 surface beads and one center bead. In order to make the NP spherical, a harmonic potential is applied to the surface particles from the center of the NP. Here, the initial volume fraction of the NPs is about 20%. The dependences of the fracture on the interactions between the NPs and polymers were examined. In order to observe the creation of nanovoids, the interaction among the polymers was set to be attractive. When the NP-polymer interaction is attractive, nanovoids appear in the bulk of polymers. On the other hand, for repulsive NP-polymer interaction, nanovoids are created at the surface between the polymers and NPs. At the same time, segregation of NPs is observed. We found that these behaviors depend on crosslink densities.

  5. Extension of 239+240Pu sediment geochronology to coarse-grained marine sediments

    Kuehl, Steven A.; Ketterer, Michael E.; Miselis, Jennifer L.

    2012-01-01

    Sediment geochronology of coastal sedimentary environments dominated by sand has been extremely limited because concentrations of natural and bomb-fallout radionuclides are often below the limit of measurement using standard techniques. ICP-MS analyses of 239+240Pu from two sites representative of traditionally challenging (i.e., low concentration) environments provide a "proof of concept" and demonstrate a new application for bomb-fallout radiotracers in the study of sandy shelf-seabed dynamics. A kasten core from the New Zealand shelf in the Southern Hemisphere (low fallout), and a vibracore from the sandy nearshore of North Carolina (low particle surface area) both reveal measurable 239+240Pu activities at depth. In the case of the New Zealand site, independently verified steady-state sedimentation results in a 239+240Pu profile that mimics the expected atmospheric fallout. The depth profile of 239+240Pu in the North Carolina core is more uniform, indicating significant sediment resuspension, which would be expected in this energetic nearshore environment. This study, for the first time, demonstrates the utility of 239+240Pu in the study of sandy environments, significantly extending the application of bomb-fallout isotopes to coarse-grained sediments, which compose the majority of nearshore regions.

  6. Elastic deformation and failure in protein filament bundles: Atomistic simulations and coarse-grained modeling.

    Hammond, Nathan A; Kamm, Roger D

    2008-07-01

    The synthetic peptide RAD16-II has shown promise in tissue engineering and drug delivery. It has been studied as a vehicle for cell delivery and controlled release of IGF-1 to repair infarcted cardiac tissue, and as a scaffold to promote capillary formation for an in vitro model of angiogenesis. The structure of RAD16-II is hierarchical, with monomers forming long beta-sheets that pair together to form filaments; filaments form bundles approximately 30-60 nm in diameter; branching networks of filament bundles form macroscopic gels. We investigate the mechanics of shearing between the two beta-sheets constituting one filament, and between cohered filaments of RAD16-II. This shear loading is found in filament bundle bending or in tensile loading of fibers composed of partial-length filaments. Molecular dynamics simulations show that time to failure is a stochastic function of applied shear stress, and that for a given loading time behavior is elastic for sufficiently small shear loads. We propose a coarse-grained model based on Langevin dynamics that matches molecular dynamics results and facilities extending simulations in space and time. The model treats a filament as an elastic string of particles, each having potential energy that is a periodic function of its position relative to the neighboring filament. With insight from these simulations, we discuss strategies for strengthening RAD16-II and similar materials.

  7. Improvement of Gold Leaching from a Refractory Gold Concentrate Calcine by Separate Pretreatment of Coarse and Fine Size Fractions

    Qian Li

    2017-05-01

    Full Text Available A total gold extraction of 70.2% could only be reached via direct cyanidation from a refractory As-, S- and C-bearing gold concentrate calcine, and the gold extraction varied noticeably with different size fractions. The reasons for unsatisfactory gold extraction from the calcine were studied through analyses of chemical composition, chemical phase and SEM-EDS of different sizes of particles. It was found that a significant segregation of compositions occurred during the grinding of gold ore before flotation. As a result, for the calcine obtained after oxidative roasting, the encapsulation of gold by iron oxides was easily engendered in finer particles, whilst in coarser particles the gold encapsulation by silicates was inclined to occur likely due to melted silicates blocking the porosity of particles. The improvement of gold leaching from different size fractions was further investigated through pretreatments with alkali washing, acid pickling or sulfuric acid curing-water leaching. Finally, a novel process was recommended and the total gold extraction from the calcine could be increased substantially to 93.6% by the purposeful pretreatment with alkali washing for the relatively coarse size fraction (+37 μm and sulfuric acid curing–water leaching for the fine size fraction (−37 μm.

  8. The PM2.5 Fine Particle Background Network of the German Meteorological Service-First Results

    Uwe Kaminski

    2013-04-01

    Full Text Available Since 2009, the measurement of the background concentration of the fine particle fraction has been a part of the climate-monitoring program of the German Meteorological Service (DWD. These particles are of high health relevance as a critical air pollutant affecting processes like the scattering and absorption of solar radiation and influencing cloud formation and visibility. At 12 weather stations, the coarse (2.5 to 10 l m and the fine particle fractions (PM2.5 are measured by means of passive and active samplers. First results are presented for the mass concentrations of coarse and fine particles as well as for the black carbon (BC content and the concentration of certain inorganic ions of fine particles. There is not only a seasonal correlation between the fraction of fine and coarse particles, but also a correlation with the location (urban background or rural background. With the help of light microscopy, coarse particles can be differentiated for a geogenic (predominantly wind blown mineral and sea salt particles of natural origin and road abrasion and for an anthropogenic opaque component (combustion residues, e.g. fly ash and non-exhaust vehicle emissions, e.g. abrasion particles of brakes and tires. Measuring the fine fraction and the coarse fraction separately instead of PM10 allows for a better source allocation and thus is a more appropriate method for the improvement of the air quality in, e.g. low emission zones.

  9. A coarse to fine minutiae-based latent palmprint matching.

    Liu, Eryun; Jain, Anil K; Tian, Jie

    2013-10-01

    With the availability of live-scan palmprint technology, high resolution palmprint recognition has started to receive significant attention in forensics and law enforcement. In forensic applications, latent palmprints provide critical evidence as it is estimated that about 30 percent of the latents recovered at crime scenes are those of palms. Most of the available high-resolution palmprint matching algorithms essentially follow the minutiae-based fingerprint matching strategy. Considering the large number of minutiae (about 1,000 minutiae in a full palmprint compared to about 100 minutiae in a rolled fingerprint) and large area of foreground region in full palmprints, novel strategies need to be developed for efficient and robust latent palmprint matching. In this paper, a coarse to fine matching strategy based on minutiae clustering and minutiae match propagation is designed specifically for palmprint matching. To deal with the large number of minutiae, a local feature-based minutiae clustering algorithm is designed to cluster minutiae into several groups such that minutiae belonging to the same group have similar local characteristics. The coarse matching is then performed within each cluster to establish initial minutiae correspondences between two palmprints. Starting with each initial correspondence, a minutiae match propagation algorithm searches for mated minutiae in the full palmprint. The proposed palmprint matching algorithm has been evaluated on a latent-to-full palmprint database consisting of 446 latents and 12,489 background full prints. The matching results show a rank-1 identification accuracy of 79.4 percent, which is significantly higher than the 60.8 percent identification accuracy of a state-of-the-art latent palmprint matching algorithm on the same latent database. The average computation time of our algorithm for a single latent-to-full match is about 141 ms for genuine match and 50 ms for impostor match, on a Windows XP desktop system with 2

  10. Modeling respiration from snags and coarse woody debris before and after an invasive gypsy moth disturbance

    Heidi J. Renninger; Nicholas Carlo; Kenneth L. Clark; Karina V.R. Schäfer

    2014-01-01

    Although snags and coarse woody debris are a small component of ecosystem respiration, disturbances can significantly increase the mass and respiration from these carbon (C) pools. The objectives of this study were to (1) measure respiration rates of snags and coarse woody debris throughout the year in a forest previously defoliated by gypsy moths, (2) develop models...

  11. The combustion of sound and rotten coarse woody debris: a review

    Joshua C. Hyde; Alistair M.S. Smith; Roger D. Ottmar; Ernesto C. Alvarado; Penelope Morgan

    2011-01-01

    Coarse woody debris serves many functions in forest ecosystem processes and has important implications for fire management as it affects air quality, soil heating and carbon budgets when it combusts. There is relatively little research evaluating the physical properties relating to the combustion of this coarse woody debris with even less specifically addressing...

  12. Optimization of Packing Density of M30 Concrete With Steel Slag As Coarse Aggregate Using Fuzzy Logic

    Arivoli M.

    2017-09-01

    Full Text Available Concrete plays a vital role in the design and construction of the infrastructure. To meet the global demand of concrete in future, it is becoming a challenging task to find suitable alternatives to natural aggregates. Steel slag is a by-product of steel making process. The steel slag aggregates are characterized by studying particle size and shape, physical and chemical properties, and mechanical properties as per IS: 2386-1963. The characterization study reveals the better performance of steel slag aggregate over natural coarse aggregate. M30 grade of concrete is designed and natural coarse aggregate is completely replaced by steel slag aggregate. Packing density of aggregates affects the characteristics of concrete. The present paper proposes a fuzzy system for concrete mix proportioning which increases the packing density. The proposed fuzzy system have four sub fuzzy system to arrive compressive strength, water cement ratio, ideal grading curve and free water content for concrete mix proportioning. The results show, the concrete mix proportion of the given fuzzy model agrees with IS method. The comparison of results shows that both proposed fuzzy system and IS method, there is a remarkable increase in compressive strength and bulk density, with increment in the percentage replacement of steel slag.

  13. Coarse Particulate Air Pollution Associated with Increased Risk of Hospital Admissions for Respiratory Diseases in a Tropical City, Kaohsiung, Taiwan.

    Cheng, Meng-Hsuan; Chiu, Hui-Fen; Yang, Chun-Yuh

    2015-10-16

    This study was undertaken to determine whether there was an association between coarse particles (PM₂.₅-₁₀) levels and frequency of hospital admissions for respiratory diseases (RD) in Kaohsiung, Taiwan. Hospital admissions for RD including chronic obstructive pulmonary disease (COPD), asthma, and pneumonia, and ambient air pollution data levels for Kaohsiung were obtained for the period from 2006 to 2010. The relative risk of hospital admissions for RD was estimated using a case-crossover approach, controlling for weather variables, day of the week, seasonality, and long-term time trends. For the single pollutant model (without adjustment for other pollutants), increased rate of admissions for RD were significantly associated with higher coarse PM levels only on cool days (pollutant models, PM₂.₅-₁₀ levels remained significantly correlated with higher rate of RD admissions even controlling for sulfur dioxide, nitrogen dioxide, carbon monoxide, or ozone on cool days. This study provides evidence that higher levels of PM₂.₅-₁₀ enhance the risk of hospital admissions for RD on cool days.

  14. Resolving Properties of Polymers and Nanoparticle Assembly through Coarse-Grained Computational Studies.

    Grest, Gary S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-09-01

    Coupled length and time scales determine the dynamic behavior of polymers and polymer nanocomposites and underlie their unique properties. To resolve the properties over large time and length scales it is imperative to develop coarse grained models which retain the atomistic specificity. Here we probe the degree of coarse graining required to simultaneously retain significant atomistic details a nd access large length and time scales. The degree of coarse graining in turn sets the minimum length scale instrumental in defining polymer properties and dynamics. Using polyethylene as a model system, we probe how the coarse - graining scale affects the measured dynamics with different number methylene group s per coarse - grained beads. Using these models we simulate polyethylene melts for times over 500 ms to study the viscoelastic properties of well - entangled polymer melts and large nanoparticle assembly as the nanoparticles are driven close enough to form nanostructures.

  15. Effect of inter-critically reheating temperature on microstructure and properties of simulated inter-critically reheated coarse grained heat affected zone in X70 steel

    Zhu, Zhixiong; Kuzmikova, Lenka; Li, Huijun; Barbaro, Frank

    2014-01-01

    This study investigated the influence of the inter-critical reheating temperature on the microstructure and mechanical properties of a coarse grained heat affected zone (CGHAZ) in an API 5L grade X70 pipeline steel seam weld. A Gleeble 3500 thermo-mechanical simulator was employed to duplicate particular weld thermal cycles in order to accurately assess specific regions of the weld HAZ. Detailed microstructural analysis, including investigation of the martensite–austenite (M–A) constituent, was performed using optical microscope (OM), scanning electron microscope (SEM) and selective etching techniques. It is shown that the fracture toughness of the CGHAZ is significantly reduced following exposure to a subsequent inter-critical thermal cycle. Fracture toughness gradually improves as the inter-critical temperature is increased, but does not return to the value of the original CGHAZ due to the presence of isolated large M–A particles and coarse microstructure. Significance of M–A particles to the HAZ fracture toughness is first related to the location of particles along prior austenite grain boundaries, followed by the size of individual M–A particles

  16. Rare particles

    Kutschera, W.

    1984-01-01

    The use of Accelerator Mass Spectrometry (AMS) to search for hypothetical particles and known particles of rare processes is discussed. The hypothetical particles considered include fractionally charged particles, anomalously heavy isotopes, and superheavy elements. The known particles produced in rare processes discussed include doubly-charged negative ions, counting neutrino-produced atoms in detectors for solar neutrino detection, and the spontaneous emission of 14 C from 223 Ra. 35 references

  17. Decomposition of Atmospheric Aerosol Phase Function by Particle Size and Morphology via Single Particle Scattering Measurements

    Aptowicz, K. B.; Pan, Y.; Martin, S.; Fernandez, E.; Chang, R.; Pinnick, R. G.

    2013-12-01

    We report upon an experimental approach that provides insight into how particle size and shape affect the scattering phase function of atmospheric aerosol particles. Central to our approach is the design of an apparatus that measures the forward and backward scattering hemispheres (scattering patterns) of individual atmospheric aerosol particles in the coarse mode range. The size and shape of each particle is discerned from the corresponding scattering pattern. In particular, autocorrelation analysis is used to differentiate between spherical and non-spherical particles, the calculated asphericity factor is used to characterize the morphology of non-spherical particles, and the integrated irradiance is used for particle sizing. We found the fraction of spherical particles decays exponentially with particle size, decreasing from 11% for particles on the order of 1 micrometer to less than 1% for particles over 5 micrometer. The average phase functions of subpopulations of particles, grouped by size and morphology, are determined by averaging their corresponding scattering patterns. The phase functions of spherical and non-spherical atmospheric particles are shown to diverge with increasing size. In addition, the phase function of non-spherical particles is found to vary little as a function of the asphericity factor.

  18. Ceramic ware waste as coarse aggregate for structural concrete production.

    García-González, Julia; Rodríguez-Robles, Desirée; Juan-Valdés, Andrés; Morán-Del Pozo, Julia M; Guerra-Romero, M Ignacio

    2015-01-01

    The manufacture of any kind of product inevitably entails the production of waste. The quantity of waste generated by the ceramic industry, a very important sector in Spain, is between 5% and 8% of the final output and it is therefore necessary to find an effective waste recovery method. The aim of the study reported in the present article was to seek a sustainable means of managing waste from the ceramic industry through the incorporation of this type of waste in the total replacement of conventional aggregate (gravel) used in structural concrete. Having verified that the recycled ceramic aggregates met all the technical requirements imposed by current Spanish legislation, established in the Code on Structural Concrete (EHE-08), then it is prepared a control concrete mix and the recycled concrete mix using 100% recycled ceramic aggregate instead of coarse natural aggregate. The concretes obtained were subjected to the appropriate tests in order to conduct a comparison of their mechanical properties. The results show that the concretes made using ceramic sanitary ware aggregate possessed the same mechanical properties as those made with conventional aggregate. It is therefore possible to conclude that the reuse of recycled ceramic aggregate to produce recycled concrete is a feasible alternative for the sustainable management of this waste.

  19. Fuel type characterization based on coarse resolution MODIS satellite data

    Lanorte A

    2007-01-01

    Full Text Available Fuel types is one of the most important factors that should be taken into consideration for computing spatial fire hazard and risk and simulating fire growth and intensity across a landscape. In the present study, forest fuel mapping is considered from a remote sensing perspective. The purpose is to delineate forest types by exploring the use of coarse resolution satellite remote sensing MODIS imagery. In order to ascertain how well MODIS data can provide an exhaustive classification of fuel properties a sample area characterized by mixed vegetation covers and complex topography was analysed. The study area is located in the South of Italy. Fieldwork fuel type recognitions, performed before, after and during the acquisition of remote sensing MODIS data, were used as ground-truth dataset to assess the obtained results. The method comprised the following three steps: (I adaptation of Prometheus fuel types for obtaining a standardization system useful for remotely sensed classification of fuel types and properties in the considered Mediterranean ecosystems; (II model construction for the spectral characterization and mapping of fuel types based on two different approach, maximum likelihood (ML classification algorithm and spectral Mixture Analysis (MTMF; (III accuracy assessment for the performance evaluation based on the comparison of MODIS-based results with ground-truth. Results from our analyses showed that the use of remotely sensed MODIS data provided a valuable characterization and mapping of fuel types being that the achieved classification accuracy was higher than 73% for ML classifier and higher than 83% for MTMF.

  20. Representing the Marginal Stability of Peptides in Coarse Grained Models

    Sayar, Mehmet; Dalgicdir, Cahit; Ramezanghorbani, Farhad

    Tertiary structure of proteins is only marginally stable; such that the folded structure is separated from local minima by as little as 10 kcal/mol. In particular for intrinsically disordered peptides, this marginal stability is key to understanding their complex behavior. Bottom-up coarse grained (CG) models for proteins/peptides which rely on structural and/or thermodynamic reference data from experiments or all atom simulations inherently focus on the equilibrium structure and fail to capture the conformational dynamics of the molecule. In this study, we present a CG model for a synthetic peptide, LK, which successfully captures the conformational flexibility of the molecule in different environments. LK peptide is composed of leucine and lysine residues and displays a stark conformational transition from a degenerate conformation in dilute solution to a fully stable alpha-helix at macroscopic and molecular interfaces. In this study we demonstrate that by carefully combining atomistic references from both the unfolded and folded states, one can create a CG model that can represent not only the folded state, but also the conformational transitions that the peptide exhibits in response to changes in the environment. M. Sayar thanks TÜBİTAK (Grant No. 212T184) and TÜBA Distinguished Young Scientist Award (2012 awardee) for financial support.

  1. A coarse-grained model for DNA origami.

    Reshetnikov, Roman V; Stolyarova, Anastasia V; Zalevsky, Arthur O; Panteleev, Dmitry Y; Pavlova, Galina V; Klinov, Dmitry V; Golovin, Andrey V; Protopopova, Anna D

    2018-02-16

    Modeling tools provide a valuable support for DNA origami design. However, current solutions have limited application for conformational analysis of the designs. In this work we present a tool for a thorough study of DNA origami structure and dynamics. The tool is based on a novel coarse-grained model dedicated to geometry optimization and conformational analysis of DNA origami. We explored the ability of the model to predict dynamic behavior, global shapes, and fine details of two single-layer systems designed in hexagonal and square lattices using atomic force microscopy, Förster resonance energy transfer spectroscopy, and all-atom molecular dynamic simulations for validation of the results. We also examined the performance of the model for multilayer systems by simulation of DNA origami with published cryo-electron microscopy and atomic force microscopy structures. A good agreement between the simulated and experimental data makes the model suitable for conformational analysis of DNA origami objects. The tool is available at http://vsb.fbb.msu.ru/cosm as a web-service and as a standalone version.

  2. Coarse cluster enhancing collaborative recommendation for social network systems

    Zhao, Yao-Dong; Cai, Shi-Min; Tang, Ming; Shang, Min-Sheng

    2017-10-01

    Traditional collaborative filtering based recommender systems for social network systems bring very high demands on time complexity due to computing similarities of all pairs of users via resource usages and annotation actions, which thus strongly suppresses recommending speed. In this paper, to overcome this drawback, we propose a novel approach, namely coarse cluster that partitions similar users and associated items at a high speed to enhance user-based collaborative filtering, and then develop a fast collaborative user model for the social tagging systems. The experimental results based on Delicious dataset show that the proposed model is able to dramatically reduce the processing time cost greater than 90 % and relatively improve the accuracy in comparison with the ordinary user-based collaborative filtering, and is robust for the initial parameter. Most importantly, the proposed model can be conveniently extended by introducing more users' information (e.g., profiles) and practically applied for the large-scale social network systems to enhance the recommending speed without accuracy loss.

  3. Fatigue damage in coarse-grained lean duplex stainless steels

    Strubbia, R., E-mail: strubbia@ifir-conicet.gov.ar; Hereñú, S.; Marinelli, M.C.; Alvarez-Armas, I.

    2016-04-06

    The present investigation is focused on assessing the effect of a thermal treatment for grain coarsening on the low cycle fatigue damage evolution in two types of Lean Duplex Stainless Steels (LDSSs). The dislocation structure developed during cycling is observed by transmission electron microscopy (TEM). Additionally, a detailed analysis of short crack initiated and grown during low cycle fatigue (LCF) is performed by means of optical and scanning electron (SEM) microscopy in combination with automated electron back-scattered diffraction (EBSD) technique. Though in both coarse-grained LDSSs the short cracks nucleate in the ferrite phase, in each steels its origin is different. The embrittlement caused by the Cr{sub 2}N precipitation and the plastic activity sustained by each phase can explain this difference. The propagation behavior of the short cracks present two alternative growing mechanisms: the crack grows along a favorable slip plane with high Schmid Factor (SF) or the crack alternates between two slip systems. In both cases, the crack follows the path with the smallest tilt angle (β) at a grain boundary.

  4. Coarse-grained description of cosmic structure from Szekeres models

    Sussman, Roberto A.; Gaspar, I. Delgado; Hidalgo, Juan Carlos

    2016-01-01

    We show that the full dynamical freedom of the well known Szekeres models allows for the description of elaborated 3-dimensional networks of cold dark matter structures (over-densities and/or density voids) undergoing ''pancake'' collapse. By reducing Einstein's field equations to a set of evolution equations, which themselves reduce in the linear limit to evolution equations for linear perturbations, we determine the dynamics of such structures, with the spatial comoving location of each structure uniquely specified by standard early Universe initial conditions. By means of a representative example we examine in detail the density contrast, the Hubble flow and peculiar velocities of structures that evolved, from linear initial data at the last scattering surface, to fully non-linear 10–20 Mpc scale configurations today. To motivate further research, we provide a qualitative discussion on the connection of Szekeres models with linear perturbations and the pancake collapse of the Zeldovich approximation. This type of structure modelling provides a coarse grained—but fully relativistic non-linear and non-perturbative —description of evolving large scale cosmic structures before their virialisation, and as such it has an enormous potential for applications in cosmological research

  5. Improving the treatment of coarse-grain electrostatics: CVCEL

    Ceres, N.; Lavery, R.

    2015-01-01

    We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats both solute charge interactions and charge self-energies, and it can also deal with salt solutions. Electrostatic damping notably depends on the degree of solvent exposure of the charges, quantified here in terms of circular variance, a measure that reflects the vectorial distribution of the neighbors around a given center. CVCEL energies can be calculated rapidly and have simple analytical derivatives. This approach avoids the need for calculating effective atomic volumes or Born radii. After describing how the method was developed, we present test results for coarse-grain proteins of different shapes and sizes, using different internal dielectric constants and different salt concentrations and also compare the results with those from simple distance-dependent models. We also show that the CVCEL approach can be used successfully to calculate the changes in electrostatic energy associated with changes in protein conformation or with protein-protein binding

  6. Improving the treatment of coarse-grain electrostatics: CVCEL.

    Ceres, N; Lavery, R

    2015-12-28

    We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats both solute charge interactions and charge self-energies, and it can also deal with salt solutions. Electrostatic damping notably depends on the degree of solvent exposure of the charges, quantified here in terms of circular variance, a measure that reflects the vectorial distribution of the neighbors around a given center. CVCEL energies can be calculated rapidly and have simple analytical derivatives. This approach avoids the need for calculating effective atomic volumes or Born radii. After describing how the method was developed, we present test results for coarse-grain proteins of different shapes and sizes, using different internal dielectric constants and different salt concentrations and also compare the results with those from simple distance-dependent models. We also show that the CVCEL approach can be used successfully to calculate the changes in electrostatic energy associated with changes in protein conformation or with protein-protein binding.

  7. Behaviour of Recycled Coarse Aggregate Concrete: Age and Successive Recycling

    Sahoo, Kirtikanta; Pathappilly, Robin Davis; Sarkar, Pradip

    2016-06-01

    Recycled Coarse Aggregate (RCA) concrete construction technique can be called as `green concrete', as it minimizes the environmental hazard of the concrete waste disposal. Indian standard recommends target mean compressive strength of the conventional concrete in terms of water cement ratio ( w/ c). The present work is an attempt to study the behaviour of RCA concrete from two samples of parent concrete having different age group with regard to the relationship of compressive strength with water cement ratios. Number of recycling may influence the mechanical properties of RCA concrete. The influence of age and successive recycling on the properties such as capillary water absorption, drying shrinkage strain, air content, flexural strength and tensile splitting strength of the RCA concrete are examined. The relationship between compressive strength at different w/ c ratios obtained experimentally is investigated for the two parameters such as age of parent concrete and successive recycling. The recycled concrete using older recycled aggregate shows poor quality. While the compressive strength reduces with successive recycling gradually, the capillary water absorption increases abruptly, which leads to the conclusion that further recycling may not be advisable.

  8. Improving the treatment of coarse-grain electrostatics: CVCEL

    Ceres, N.; Lavery, R., E-mail: richard.lavery@ibcp.fr [Bioinformatics: Structures and Interactions, Institut de Biologie et Chimie des Protéines, BMSSI UMR CNRS 5086/Université Lyon I, 7 Passage du Vercors, Lyon 69367 (France)

    2015-12-28

    We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats both solute charge interactions and charge self-energies, and it can also deal with salt solutions. Electrostatic damping notably depends on the degree of solvent exposure of the charges, quantified here in terms of circular variance, a measure that reflects the vectorial distribution of the neighbors around a given center. CVCEL energies can be calculated rapidly and have simple analytical derivatives. This approach avoids the need for calculating effective atomic volumes or Born radii. After describing how the method was developed, we present test results for coarse-grain proteins of different shapes and sizes, using different internal dielectric constants and different salt concentrations and also compare the results with those from simple distance-dependent models. We also show that the CVCEL approach can be used successfully to calculate the changes in electrostatic energy associated with changes in protein conformation or with protein-protein binding.

  9. Downscaling Coarse Scale Microwave Soil Moisture Product using Machine Learning

    Abbaszadeh, P.; Moradkhani, H.; Yan, H.

    2016-12-01

    Soil moisture (SM) is a key variable in partitioning and examining the global water-energy cycle, agricultural planning, and water resource management. It is also strongly coupled with climate change, playing an important role in weather forecasting and drought monitoring and prediction, flood modeling and irrigation management. Although satellite retrievals can provide an unprecedented information of soil moisture at a global-scale, the products might be inadequate for basin scale study or regional assessment. To improve the spatial resolution of SM, this work presents a novel approach based on Machine Learning (ML) technique that allows for downscaling of the satellite soil moisture to fine resolution. For this purpose, the SMAP L-band radiometer SM products were used and conditioned on the Variable Infiltration Capacity (VIC) model prediction to describe the relationship between the coarse and fine scale soil moisture data. The proposed downscaling approach was applied to a western US basin and the products were compared against the available SM data from in-situ gauge stations. The obtained results indicated a great potential of the machine learning technique to derive the fine resolution soil moisture information that is currently used for land data assimilation applications.

  10. Coarse-grained molecular simulations of allosteric cooperativity

    Nandigrami, Prithviraj; Portman, John J. [Department of Physics, Kent State University, Kent, Ohio 44242 (United States)

    2016-03-14

    Interactions between a protein and a ligand are often accompanied by a redistribution of the population of thermally accessible conformations. This dynamic response of the protein’s functional energy landscape enables a protein to modulate binding affinities and control binding sensitivity to ligand concentration. In this paper, we investigate the structural origins of binding affinity and allosteric cooperativity of binding two Ca{sup 2+} ions to each domain of Calmodulin (CaM) through simulations of a simple coarse-grained model. In this model, the protein’s conformational transitions between open and closed conformational ensembles are simulated explicitly and ligand binding and unbinding are treated implicitly within the grand canonical ensemble. Ligand binding is cooperative because the binding sites are coupled through a shift in the dominant conformational ensemble upon binding. The classic Monod-Wyman-Changeux model of allostery with appropriate binding free energies to the open and closed ensembles accurately describes the simulated binding thermodynamics. The simulations predict that the two domains of CaM have distinct binding affinity and cooperativity. In particular, the C-terminal domain binds Ca{sup 2+} with higher affinity and greater cooperativity than the N-terminal domain. From a structural point of view, the affinity of an individual binding loop depends sensitively on the loop’s structural compatibility with the ligand in the bound ensemble, as well as the conformational flexibility of the binding site in the unbound ensemble.

  11. Variationally derived coarse mesh methods using an alternative flux representation

    Wojtowicz, G.; Holloway, J.P.

    1995-01-01

    Investigation of a previously reported variational technique for the solution of the 1-D, 1-group neutron transport equation in reactor lattices has inspired the development of a finite element formulation of the method. Compared to conventional homogenization methods in which node homogenized cross sections are used, the coefficients describing this system take on greater spatial dependence. However, the methods employ an alternative flux representation which allows the transport equation to be cast into a form whose solution has only a slow spatial variation and, hence, requires relatively few variables to describe. This alternative flux representation and the stationary property of a variational principle define a class of coarse mesh discretizations of transport theory capable of achieving order of magnitude reductions of eigenvalue and pointwise scalar flux errors as compared with diffusion theory while retaining diffusion theory's relatively low cost. Initial results of a 1-D spectral element approach are reviewed and used to motivate the finite element implementation which is more efficient and almost as accurate; one and two group results of this method are described

  12. Fine and coarse components in surface sediments from Bikini Lagoon

    Noshkin, V. E., LLNL

    1997-01-01

    In 1979, 21 years after the moratorium on nuclear testing in the Marshall Islands, surface sediment samples (to depths of 2 and 4 cm) were collected from 87 locations in the lagoon of Bikini Atoll, one of the two sites in the Marshall Islands used by the United States to test nuclear devices from 1946 through 1958. The main purpose for the collections was to map the distribution of long-lived man-made radionuclides associated with the bottom material. In addition the samples were processed to estimate the fraction of fine and coarse components to show, by comparison, what modifications occurred in the composition since the sediments were first described in samples collected before testing in 1946. Nuclear testing produced more finely divided material that is now found in the surface sediment layer over large areas of the lagoon and especially in regions of the lagoon and reef adjacent to test sites. The 5 cratering events alone at Bikini Atoll redistributed sufficient material to account for the higher inventory of fine material found over the surface 4 cm of the sediment of the lagoon. Although the fraction of fine material in the bottom sediments was altered by the nuclear events, the combined processes of formation, transport and deposition were not sufficiently dynamic to greatly change the general geographical features of the major sedimentary components over most of the lagoon floor.

  13. Illusory conjunctions in simultanagnosia: coarse coding of visual feature location?

    McCrea, Simon M; Buxbaum, Laurel J; Coslett, H Branch

    2006-01-01

    Simultanagnosia is a disorder characterized by an inability to see more than one object at a time. We report a simultanagnosic patient (ED) with bilateral posterior infarctions who produced frequent illusory conjunctions on tasks involving form and surface features (e.g., a red T) and form alone. ED also produced "blend" errors in which features of one familiar perceptual unit appeared to migrate to another familiar perceptual unit (e.g., "RO" read as "PQ"). ED often misread scrambled letter strings as a familiar word (e.g., "hmoe" read as "home"). Finally, ED's success in reporting two letters in an array was inversely related to the distance between the letters. These findings are consistent with the hypothesis that ED's illusory reflect coarse coding of visual feature location that is ameliorated in part by top-down information from object and word recognition systems; the findings are also consistent, however, with Treisman's Feature Integration Theory. Finally, the data provide additional support for the claim that the dorsal parieto-occipital cortex is implicated in the binding of visual feature information.

  14. Towards better integrators for dissipative particle dynamics simulations

    Besold, Gerhard; Vattulainen, Ilpo Tapio; Karttunen, Mikko

    2000-01-01

    Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the com...

  15. Water flow exchange characteristics in coarse granular filter media

    Andreasen, Rune Røjgaard; Pugliese, Lorenzo; Poulsen, Tjalfe

    2013-01-01

    Elution of inhibitory metabolites is a key parameter controlling the efficiency of air cleaning bio- and biotrickling filters. To the authors knowledge no studies have yet considered the relationship between specific surface area related elution velocity and physical media characteristics, which...... in this study are performed at a concurrent airflow of 0.3 m s−1, water irrigation rates of 1–21 cm h−1 in materials with particle diameters ranging from 2 to 14 mm to represent media and operation conditions relevant for low flow biotrickling filter design. Specific surface area related elution velocity...... distribution was closely related to the filter water content, water irrigation rate, media specific surface area and particle size distribution. A predictive model linking the specific surface area related elution velocity distribution to irrigation rate, specific surface area and particle size distribution...

  16. [Emission characteristics of fine particles from grate firing boilers].

    Wang, Shu-Xiao; Zhao, Xiu-Juan; Li, Xing-Hua; Wei, Wei; Hao, Ji-Ming

    2009-04-15

    Grate firing boilers are the main type of Chinese industrial boilers, which accounts for 85% of the industrial boilers and is one of the most important emission sources of primary air pollutants in China. In this study, five boilers in three cities were selected and tested to measure the emission characteristics of PM2.5, and gaseous pollutants were applied by a compact dilution sampling system, which was developed for this field study. Results showed that particles mass size distributions for the five industrial boilers presented single peak or double peak, former peaks near 0.14 microm and the later peaks after 1.0 microm; the cyclone dust remover and wet scrubber dust remover had effective removal efficiencies not only to PM2.5, but also to PM1.0; and under the condition of same control techniques, grate firing boiler with high capacity has less PM2.5 emission than the boiler with low capacity. In the PM2.5 collected from flue gases, SO4(2-) was the most abundant ion, accounted for 20%-40% of the PM2.5; and C was the most abundant element (7.5%-31.8%), followed by S (8.4%-18.7%). Carbon balance method was applied to calculate the emission factors of these pollutants. The emission factors of PM2.5, NO, and SO2 were in the range of 0.046-0.486 g x kg(-1), 1.63-2.47 g x kg(-1), 1.35-9.95 g x kg(-1) respectively. The results are useful for the emission inventory development of industrial boilers and the source analysis of PM2.5 in atmospheric environment.

  17. Filtration and transport of Bacillus subtilis spores and the F-RNA phage MS2 in a coarse alluvial gravel aquifer: implications in the estimation of setback distances.

    Pang, Liping; Close, Murray; Goltz, Mark; Noonan, Mike; Sinton, Lester

    2005-04-01

    water standards for the downgradient wells under natural gradient conditions. Based on the results of this study, a 7-log reduction would require 125-280 m travel in clean coarse gravel aquifers, 1.7-3.9 km travel in contaminated coarse gravel aquifers, 33-61 m travel in clean sandy fine gravel aquifers, 33-129 m travel in contaminated sandy fine gravel aquifers, and 37-44 m travel in contaminated river and coastal sand aquifers. These recommended setback distances are for a worst-case scenario, assuming direct discharge of raw effluent into the saturated zone of an aquifer. Filtration theory was applied to calculate collision efficiency (alpha) from model-derived attachment rates (katt), and the results are compared with those reported in the literature. The calculated alpha values vary by two orders-of-magnitude, depending on whether collision efficiency is estimated from the effective particle size (d10) or the mean particle size (d50). Collision efficiency values for MS-2 are similar to those previously reported in the literature (e.g. ) [DeBorde, D.C., Woessner, W.W., Kiley, QT., Ball, P., 1999. Rapid transport of viruses in a floodplain aquifer. Water Res. 33 (10), 2229-2238]. However, the collision efficiency values calculated for Bacillus subtilis spores were unrealistic, suggesting that filtration theory is not appropriate for theoretically estimating filtration capacity for poorly sorted coarse gravel aquifer media. This is not surprising, as filtration theory was developed for uniform sand filters and does not consider particle size distribution. Thus, we do not recommend the use of filtration theory to estimate the filter factor or setback distances. Either of the methods applied in this work (BTC or concentration vs. distance analyses), which takes into account aquifer heterogeneities and site-specific conditions, appear to be most useful in determining filter factors and setback distances.

  18. Size fractionation of waste-to-energy boiler ash enables separation of a coarse fraction with low dioxin concentrations

    Weidemann, E.; Allegrini, Elisa; Astrup, Thomas Fruergaard

    2016-01-01

    Polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) formed in modern Waste-to-Energy plants are primarily found in the generated ashes and air pollution control residues, which are usually disposed of as hazardous waste. The objective of this study was to explore the occurrence of PCDD....../F in different grain size fractions in the boiler ash, i.e. ash originating from the convection pass of the boiler. If a correlation between particle size and dioxin concentrations could be found, size fractionation of the ashes could reduce the total amount of hazardous waste. Boiler ash samples from ten...... sections of a boiler's convective part were collected over three sampling days, sieved into three different size fractions - 0.355. mm - and analysed for PCDD/F. The coarse fraction (>0.355. mm) in the first sections of the horizontal convection pass appeared to be of low toxicity with respect to dioxin...

  19. Coarse-grained debris flow dynamics on erodible beds

    Lanzoni, Stefano; Gregoretti, Carlo; Stancanelli, Laura Maria

    2017-03-01

    A systematic set of flume experiments is used to investigate the features of velocity profiles within the body of coarse-grained debris flows and the dependence of the transport sediment concentration on the relevant parameters (runoff discharge, bed slope, grain size, and form). The flows are generated in a 10 m long laboratory flume, initially filled with a layer consisting of loose debris. After saturation, a prescribed water discharge is suddenly supplied over the granular bed, and the runoff triggers a debris flow wave that reaches nearly steady conditions. Three types of material have been used in the tests: gravel with mean grain size of 3 and 5 mm, and 3 mm glass spheres. Measured parameters included: triggering water discharge, volumetric sediment discharge, sediment concentration, flow depth, and velocity profiles. The dynamic similarity with full-sized debris flows is discussed on the basis of the relevant dimensionless parameters. Concentration data highlight the dependence on the slope angle and the importance of the quasi-static friction angle. The effects of flow rheology on the shape of velocity profiles are analyzed with attention to the role of different stress-generating mechanisms. A remarkable collapse of the dimensionless profiles is obtained by scaling the debris flow velocity with the runoff velocity, and a power law characterization is proposed following a heuristic approach. The shape of the profiles suggests a smooth transition between the different rheological regimes (collisional and frictional) that establish in the upper and lower regions of the flow and is compatible with the presence of multiple length scales dictated by the type of contacts (instantaneous or long lasting) between grains.

  20. Coarse-grid-CFD. An advantageous alternative to subchannel analysis

    Class, A.G.; Himmel, S.R.; Viellieber, M.O.

    2011-01-01

    In the 1960 th to 80 th when current GEN II reactor technology was developed, the only possible approach was to use one-dimensional subchannel analysis to compute the flow inside a fuel bundle so that the subchannel scale could be resolved. For simulations of the whole reactor core either system codes or homogenization were employed. In system codes resolution of individual assemblies was the state of the art. Homogenization used porous media equations simulations and averaged the thermohydraulics on reactor core scale. Current potent computing power allows using Computational Fluid Dynamics (CFD) to simulate individual fuel assemblies. Yet the large number of fuel assemblies within the core forbids exploiting CFD for core wide simulation. We propose to combine ideas of subchannel analysis and CFD to develop a new methodology which takes advantage of the fast development of commercial CFD software and the efficiency of subchannel analysis. In this methodology was first applied to simulate a wire-wrap fuel bundle of the High Performance Light Water Reactor (HPLWR). Computations using an inviscid Euler solver on an extremely coarse grid were tuned to predict the true thermohydraulics by adding volumetric forces. These forces represent the non-resolved sub-grid physics. The volumetric forces cannot be measured directly. However, they can be accessed from detailed CFD simulations resolving all relevant physics. Parameterization of these subgrid forces can be realized analogous to models in subchannel codes. In the present work we extend the methodology to the open source solver OpenFOAM and a specific hexagonal fuel assembly which is studied in the framework of liquid metal cooled GEN IV reactor concepts. (orig.)

  1. A study of concrete properties using phyllite as coarse aggregates

    Adom-Asamoah, Mark; Afrifa, Russell Owusu

    2010-01-01

    Nowadays, industrial activities generate a huge amount of waste. One such activity is underground mining which generates phyllite wastes that are recycled as coarse aggregates for use in concrete production. Aggregate use in concrete is dependent on availability. This paper reports of an experimental study on some of the physical and mechanical properties of phyllite aggregate concrete as compared to granite (conventional) aggregate concrete. The obtained physical and mechanical properties of both aggregates for specific gravity, water absorption (%), dry density, aggregate impact value (%), aggregate crushing value (%), 10% fines, elongation index (%), flakiness index (%) and Los Angeles abrasion values satisfied minimum requirements for aggregates suitable for concrete production. Five mixes of concrete mix proportions designated M1, M2, M3, M4 and M5 were cast using phyllite and granite aggregates. A total of 400 concrete cubes and 210 modulus of rupture beams were cast and cured by total submerging in water for ages 3, 7, 14, 28, 56, 90, 180 and 360 days before compression and bending tests were performed. The results show that the trends in the development of compressive and bending strengths of plain phyllite concrete were similar to those in granite (conventional) aggregate concrete. However the compressive and bending strengths of phyllite concrete mixes were on the average 15-20% lower than those of the corresponding granite concrete mixes at all ages. The same concrete mix proportions gave lower concrete classes for phyllite compared to granite with the exception of the lowest grade. This was probably because the flakiness and elongation properties coupled with reactive materials in phyllite aggregates affect the absorption and bond characteristics of its concrete.

  2. Multiresolution Modeling of Semidilute Polymer Solutions: Coarse-Graining Using Wavelet-Accelerated Monte Carlo

    Animesh Agarwal

    2017-09-01

    Full Text Available We present a hierarchical coarse-graining framework for modeling semidilute polymer solutions, based on the wavelet-accelerated Monte Carlo (WAMC method. This framework forms a hierarchy of resolutions to model polymers at length scales that cannot be reached via atomistic or even standard coarse-grained simulations. Previously, it was applied to simulations examining the structure of individual polymer chains in solution using up to four levels of coarse-graining (Ismail et al., J. Chem. Phys., 2005, 122, 234901 and Ismail et al., J. Chem. Phys., 2005, 122, 234902, recovering the correct scaling behavior in the coarse-grained representation. In the present work, we extend this method to the study of polymer solutions, deriving the bonded and non-bonded potentials between coarse-grained superatoms from the single chain statistics. A universal scaling function is obtained, which does not require recalculation of the potentials as the scale of the system is changed. To model semi-dilute polymer solutions, we assume the intermolecular potential between the coarse-grained beads to be equal to the non-bonded potential, which is a reasonable approximation in the case of semidilute systems. Thus, a minimal input of microscopic data is required for simulating the systems at the mesoscopic scale. We show that coarse-grained polymer solutions can reproduce results obtained from the more detailed atomistic system without a significant loss of accuracy.

  3. A New Type of Non-Mechanical Valves for Recirculation of Fine Particles

    Azizaddini, Seyednezamaddin

    of the thesis is to design a new version of a non-mechanical valve for transportation of the particles and closing the loop in circulating or interconnected fluidized bed systems. As the primary proposal, combination of three assistive methods (tapered fluidized bed, mixture of coarse and fine particles...

  4. Particle detection

    Charpak, G.

    2000-01-01

    In this article G.Charpak presents the principles on which particle detection is based. Particle accelerators are becoming more and more powerful and require new detectors able to track the right particle in a huge flux of particles. The gigantic size of detectors in high energy physics is often due to the necessity of getting a long enough trajectory in a magnetic field in order to deduce from the curvature an accurate account of impulses in the reaction. (A.C.)

  5. Strange particles

    Chinowsky, W.

    1989-01-01

    Work done in the mid 1950s at Brookhaven National Laboratory on strange particles is described. Experiments were done on the Cosmotron. The author describes his own and others' work on neutral kaons, lambda and theta particles and points out the theoretical gap between predictions and experimental findings. By the end of the decade, the theory of strange particles was better understood. (UK)

  6. Spacetime alternatives in the quantum mechanics of a relativistic particle

    Whelan, J.T.

    1994-01-01

    Hartle's generalized quantum mechanics formalism is used to examine spacetime coarse grainings, i.e., sets of alternatives defined with respect to a region extended in time as well as space, in the quantum mechanics of a free relativistic particle. For a simple coarse graining and suitable initial conditions, tractable formulas are found for branch wave functions. Despite the nonlocality of the positive-definite version of the Klein-Gordon inner product, which means that nonoverlapping branches are not sufficient to imply decoherence, some initial conditions are found to give decoherence and allow the consistent assignment of probabilities

  7. Invertebrates Associated with Coarse Woody Debris in Streams, Upland Forests, and Wetlands: A Review

    A. Braccia; D.P. Batzer

    1999-01-01

    We reviewed literature on the inbvertebrate groups associated with coarse woody debris in forests, streams, and wetlands, and contrasted patterns of invertebrate community development and wood decomposition among ecosystems.

  8. Mutually unbiased coarse-grained measurements of two or more phase-space variables

    Paul, E. C.; Walborn, S. P.; Tasca, D. S.; Rudnicki, Łukasz

    2018-05-01

    Mutual unbiasedness of the eigenstates of phase-space operators—such as position and momentum, or their standard coarse-grained versions—exists only in the limiting case of infinite squeezing. In Phys. Rev. Lett. 120, 040403 (2018), 10.1103/PhysRevLett.120.040403, it was shown that mutual unbiasedness can be recovered for periodic coarse graining of these two operators. Here we investigate mutual unbiasedness of coarse-grained measurements for more than two phase-space variables. We show that mutual unbiasedness can be recovered between periodic coarse graining of any two nonparallel phase-space operators. We illustrate these results through optics experiments, using the fractional Fourier transform to prepare and measure mutually unbiased phase-space variables. The differences between two and three mutually unbiased measurements is discussed. Our results contribute to bridging the gap between continuous and discrete quantum mechanics, and they could be useful in quantum-information protocols.

  9. Coarse graining from variationally enhanced sampling applied to the Ginzburg–Landau model

    Invernizzi, Michele; Valsson, Omar; Parrinello, Michele

    2017-01-01

    A powerful way to deal with a complex system is to build a coarse-grained model capable of catching its main physical features, while being computationally affordable. Inevitably, such coarse-grained models introduce a set of phenomenological parameters, which are often not easily deducible from the underlying atomistic system. We present a unique approach to the calculation of these parameters, based on the recently introduced variationally enhanced sampling method. It allows us to obtain the parameters from atomistic simulations, providing thus a direct connection between the microscopic and the mesoscopic scale. The coarse-grained model we consider is that of Ginzburg–Landau, valid around a second-order critical point. In particular, we use it to describe a Lennard–Jones fluid in the region close to the liquid–vapor critical point. The procedure is general and can be adapted to other coarse-grained models. PMID:28292890

  10. Coarse graining from variationally enhanced sampling applied to the Ginzburg-Landau model

    Invernizzi, Michele; Valsson, Omar; Parrinello, Michele

    2017-03-01

    A powerful way to deal with a complex system is to build a coarse-grained model capable of catching its main physical features, while being computationally affordable. Inevitably, such coarse-grained models introduce a set of phenomenological parameters, which are often not easily deducible from the underlying atomistic system. We present a unique approach to the calculation of these parameters, based on the recently introduced variationally enhanced sampling method. It allows us to obtain the parameters from atomistic simulations, providing thus a direct connection between the microscopic and the mesoscopic scale. The coarse-grained model we consider is that of Ginzburg-Landau, valid around a second-order critical point. In particular, we use it to describe a Lennard-Jones fluid in the region close to the liquid-vapor critical point. The procedure is general and can be adapted to other coarse-grained models.

  11. Modification of the MORSE code for Monte Carlo eigenvalue problems by coarse-mesh rebalance acceleration

    Nishida, Takahiko; Horikami, Kunihiko; Suzuki, Tadakazu; Nakahara, Yasuaki; Taji, Yukichi

    1975-09-01

    The coarse-mesh rebalancing technique is introduced into the general-purpose neutron and gamma-ray Monte Carlo transport code MORSE, to accelerate the convergence rate of the iteration process for eigenvalue calculation in a nuclear reactor system. Two subroutines are thus attached to the code. One is bookkeeping routine 'COARSE' for obtaining the quantities related with the neutron balance in each coarse mesh cell, such as the number of neutrons absorbed in the cell, from random walks of neutrons in a batch. The other is rebalance factor calculation routine 'REBAL' for obtaining the scaling factor whereby the neutron flux in the cell is multiplied to attain the neutron balance. The two subroutines and algorithm of the coarse mesh rebalancing acceleration in a Monte Carlo game are described. (auth.)

  12. Coarse-graining free theories with gauge symmetries: the linearized case

    Bahr, Benjamin; Dittrich, Bianca; He Song

    2011-01-01

    Discretizations of continuum theories often do not preserve the gauge symmetry content. This occurs in particular for diffeomorphism symmetry in general relativity, which leads to severe difficulties in both canonical and covariant quantization approaches. We discuss here the method of perfect actions, which attempts to restore gauge symmetries by mirroring exactly continuum physics on a lattice via a coarse graining process. Analytical results can only be obtained via a perturbative approach, for which we consider the first step, namely the coarse graining of the linearized theory. The linearized gauge symmetries are exact also in the discretized theory; hence, we develop a formalism to deal with gauge systems. Finally, we provide a discretization of linearized gravity as well as a coarse graining map and show that with this choice the three-dimensional (3D) linearized gravity action is invariant under coarse graining.

  13. Faunistic assemblages of a sublittoral coarse sand habitat of the northwestern Mediterranean

    Eva Pubill

    2011-02-01

    Full Text Available The sublittoral megabenthic assemblages of a northwestern Mediterranean coarse sandy beach exploited for the bivalve Callista chione were studied. The spatial and bathymetric variability of its distinctive faunal assemblages was characterised by quantitative sampling performed with a clam dredge. The taxa studied were Mollusca Bivalvia and Gastropoda, Crustacea Decapoda, Echinodermata and Pisces, which accounted for over 99% of the total biomass. Three well-differentiated species assemblages were identified: (1 assemblage MSS (Medium Sand Shallow in medium sand (D50=0.37 mm and shallow waters (mean depth =6.5 m, (2 assemblage CSS (Coarse Sand Shallow in coarse sand (D50=0.62 mm in shallow waters (mean depth =6.7 m, and (3 assemblage CSD (Coarse Sand Deep in coarse sand (D50=0.64 mm in deeper waters (mean depth =16.2 m. Assemblage MSS was characterised by the codominance of the bivalves Mactra stultorum and Acanthocardia tuberculata. C. chione was dominant in both density and biomass in assemblages CSS and CSD. The occurrence of the crab Thia scutellata also characterised assemblage CSS, whereas the occurrence of the sea urchin Echinocardium mediterraneum characterised assemblage CSD. A depth breaking point of around 10 m determined the discontinuity between assemblages CSS and CSD, which was related to the closure depth of the beaches in the study area. Species richness was highest in the coarse sand communities; however, Shannon-Wiener diversity and Pielou equitability indexes were higher in the shallow fine sand community.

  14. Coarse-graining using the relative entropy and simplex-based optimization methods in VOTCA

    Rühle, Victor; Jochum, Mara; Koschke, Konstantin; Aluru, N. R.; Kremer, Kurt; Mashayak, S. Y.; Junghans, Christoph

    2014-03-01

    Coarse-grained (CG) simulations are an important tool to investigate systems on larger time and length scales. Several methods for systematic coarse-graining were developed, varying in complexity and the property of interest. Thus, the question arises which method best suits a specific class of system and desired application. The Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) provides a uniform platform for coarse-graining methods and allows for their direct comparison. We present recent advances of VOTCA, namely the implementation of the relative entropy method and downhill simplex optimization for coarse-graining. The methods are illustrated by coarse-graining SPC/E bulk water and a water-methanol mixture. Both CG models reproduce the pair distributions accurately. SYM is supported by AFOSR under grant 11157642 and by NSF under grant 1264282. CJ was supported in part by the NSF PHY11-25915 at KITP. K. Koschke acknowledges funding by the Nestle Research Center.

  15. Constructing Optimal Coarse-Grained Sites of Huge Biomolecules by Fluctuation Maximization.

    Li, Min; Zhang, John Zenghui; Xia, Fei

    2016-04-12

    Coarse-grained (CG) models are valuable tools for the study of functions of large biomolecules on large length and time scales. The definition of CG representations for huge biomolecules is always a formidable challenge. In this work, we propose a new method called fluctuation maximization coarse-graining (FM-CG) to construct the CG sites of biomolecules. The defined residual in FM-CG converges to a maximal value as the number of CG sites increases, allowing an optimal CG model to be rigorously defined on the basis of the maximum. More importantly, we developed a robust algorithm called stepwise local iterative optimization (SLIO) to accelerate the process of coarse-graining large biomolecules. By means of the efficient SLIO algorithm, the computational cost of coarse-graining large biomolecules is reduced to within the time scale of seconds, which is far lower than that of conventional simulated annealing. The coarse-graining of two huge systems, chaperonin GroEL and lengsin, indicates that our new methods can coarse-grain huge biomolecular systems with up to 10,000 residues within the time scale of minutes. The further parametrization of CG sites derived from FM-CG allows us to construct the corresponding CG models for studies of the functions of huge biomolecular systems.

  16. Understanding bulk behavior of particulate materials from particle scale simulations

    Deng, Xiaoliang

    Particulate materials play an increasingly significant role in various industries, such as pharmaceutical manufacturing, food, mining, and civil engineering. The objective of this research is to better understand bulk behaviors of particulate materials from particle scale simulations. Packing properties of assembly of particles are investigated first, focusing on the effects of particle size, surface energy, and aspect ratio on the coordination number, porosity, and packing structures. The simulation results show that particle sizes, surface energy, and aspect ratio all influence the porosity of packing to various degrees. The heterogeneous force networks within particle assembly under external compressive loading are investigated as well. The results show that coarse-coarse contacts dominate the strong network and coarse-fine contacts dominate the total network. Next, DEM models are developed to simulate the particle dynamics inside a conical screen mill (comil) and magnetically assisted impaction mixer (MAIM), both are important particle processing devices. For comil, the mean residence time (MRT), spatial distribution of particles, along with the collision dynamics between particles as well as particle and vessel geometries are examined as a function of the various operating parameters such as impeller speed, screen hole size, open area, and feed rate. The simulation results can help better understand dry coating experimental results using comil. For MAIM system, the magnetic force is incorporated into the contact model, allowing to describe the interactions between magnets. The simulation results reveal the connections between homogeneity of mixture and particle scale variables such as size of magnets and surface energy of non-magnets. In particular, at the fixed mass ratio of magnets to non-magnets and surface energy the smaller magnets lead to better homogeneity of mixing, which is in good agreement with previously published experimental results. Last but not

  17. Particle therapy

    Raju, M.R.

    1993-09-01

    Particle therapy has a long history. The experimentation with particles for their therapeutic application got started soon after they were produced in the laboratory. Physicists played a major role in proposing the potential applications in radiotherapy as well as in the development of particle therapy. A brief review of the current status of particle radiotherapy with some historical perspective is presented and specific contributions made by physicists will be pointed out wherever appropriate. The rationale of using particles in cancer treatment is to reduce the treatment volume to the target volume by using precise dose distributions in three dimensions by using particles such as protons and to improve the differential effects on tumors compared to normal tissues by using high-LET radiations such as neutrons. Pions and heavy ions combine the above two characteristics.

  18. Particle therapy

    Raju, M.R.

    1993-01-01

    Particle therapy has a long history. The experimentation with particles for their therapeutic application got started soon after they were produced in the laboratory. Physicists played a major role in proposing the potential applications in radiotherapy as well as in the development of particle therapy. A brief review of the current status of particle radiotherapy with some historical perspective is presented and specific contributions made by physicists will be pointed out wherever appropriate. The rationale of using particles in cancer treatment is to reduce the treatment volume to the target volume by using precise dose distributions in three dimensions by using particles such as protons and to improve the differential effects on tumors compared to normal tissues by using high-LET radiations such as neutrons. Pions and heavy ions combine the above two characteristics

  19. Particle cosmology

    CERN. Geneva

    2007-01-01

    The understanding of the Universe at the largest and smallest scales traditionally has been the subject of cosmology and particle physics, respectively. Studying the evolution of the Universe connects today's large scales with the tiny scales in the very early Universe and provides the link between the physics of particles and of the cosmos. This series of five lectures aims at a modern and critical presentation of the basic ideas, methods, models and observations in today's particle cosmology.

  20. Particle physics

    Kamal, Anwar

    2014-01-01

    Provides step-by-step derivations. Contains numerous tables and diagrams. Supports learning and teaching with numerous worked examples, questions and problems with answers. Sketches also the historical development of the subject. This textbook teaches particle physics very didactically. It supports learning and teaching with numerous worked examples, questions and problems with answers. Numerous tables and diagrams lead to a better understanding of the explanations. The content of the book covers all important topics of particle physics: Elementary particles are classified from the point of view of the four fundamental interactions. The nomenclature used in particle physics is explained. The discoveries and properties of known elementary particles and resonances are given. The particles considered are positrons, muon, pions, anti-protons, strange particles, neutrino and hadrons. The conservation laws governing the interactions of elementary particles are given. The concepts of parity, spin, charge conjugation, time reversal and gauge invariance are explained. The quark theory is introduced to explain the hadron structure and strong interactions. The solar neutrino problem is considered. Weak interactions are classified into various types, and the selection rules are stated. Non-conservation of parity and the universality of the weak interactions are discussed. Neutral and charged currents, discovery of W and Z bosons and the early universe form important topics of the electroweak interactions. The principles of high energy accelerators including colliders are elaborately explained. Additionally, in the book detectors used in nuclear and particle physics are described. This book is on the upper undergraduate level.

  1. Magnetic particles

    Chang, Manchium (Inventor); Colvin, Michael S. (Inventor)

    1989-01-01

    Magnetic polymer particles are formed by swelling porous, polymer particles and impregnating the particles with an aqueous solution of precursor magnetic metal salt such as an equimolar mixture of ferrous chloride and ferric chloride. On addition of a basic reagent such as dilute sodium hydroxide, the metal salts are converted to crystals of magnetite which are uniformly contained througout the pores of the polymer particle. The magnetite content can be increased and neutral buoyancy achieved by repetition of the impregnaton and neutralization steps to adjust the magnetite content to a desired level.

  2. Calibration and validation of coarse-grained models of atomic systems: application to semiconductor manufacturing

    Farrell, Kathryn; Oden, J. Tinsley

    2014-07-01

    Coarse-grained models of atomic systems, created by aggregating groups of atoms into molecules to reduce the number of degrees of freedom, have been used for decades in important scientific and technological applications. In recent years, interest in developing a more rigorous theory for coarse graining and in assessing the predictivity of coarse-grained models has arisen. In this work, Bayesian methods for the calibration and validation of coarse-grained models of atomistic systems in thermodynamic equilibrium are developed. For specificity, only configurational models of systems in canonical ensembles are considered. Among major challenges in validating coarse-grained models are (1) the development of validation processes that lead to information essential in establishing confidence in the model's ability predict key quantities of interest and (2), above all, the determination of the coarse-grained model itself; that is, the characterization of the molecular architecture, the choice of interaction potentials and thus parameters, which best fit available data. The all-atom model is treated as the "ground truth," and it provides the basis with respect to which properties of the coarse-grained model are compared. This base all-atom model is characterized by an appropriate statistical mechanics framework in this work by canonical ensembles involving only configurational energies. The all-atom model thus supplies data for Bayesian calibration and validation methods for the molecular model. To address the first challenge, we develop priors based on the maximum entropy principle and likelihood functions based on Gaussian approximations of the uncertainties in the parameter-to-observation error. To address challenge (2), we introduce the notion of model plausibilities as a means for model selection. This methodology provides a powerful approach toward constructing coarse-grained models which are most plausible for given all-atom data. We demonstrate the theory and

  3. Influence of particle shape on the microstructure evolution and the mechanical properties of granular materials

    Tian, Jianqiu; Liu, Enlong; Jiang, Lian; Jiang, Xiaoqiong; Sun, Yi; Xu, Ran

    2018-06-01

    In order to study the influence of particle shape on the microstructure evolution and the mechanical properties of granular materials, a two-dimensional DEM analysis of samples with three particle shapes, including circular particles, triangular particles, and elongated particles, is proposed here to simulate the direct shear tests of coarse-grained soils. For the numerical test results, analyses are conducted in terms of particle rotations, fabric evolution, and average path length evolution. A modified Rowe's stress-dilatancy equation is also proposed and successfully fitted onto simulation data.

  4. Metabarcoding-based fungal diversity on coarse and fine particulate organic matter in a first-order stream in Nova Scotia, Canada [version 2; referees: 2 approved

    Christian Wurzbacher

    2016-02-01

    Full Text Available Most streams receive substantial inputs of allochthonous organic material in the form of leaves and twigs (CPOM, coarse particulate organic matter. Mechanical and biological processing converts this into fine particulate organic matter (FPOM. Other sources of particles include flocculated dissolved matter and soil particles. Fungi are known to play a role in the CPOM conversion process, but the taxonomic affiliations of these fungi remain poorly studied. The present study seeks to shed light on the composition of fungal communities on FPOM and CPOM as assessed in a natural stream in Nova Scotia, Canada. Maple leaves were exposed in a stream for four weeks and their fungal community evaluated through pyrosequencing. Over the same period, four FPOM size fractions were collected by filtration and assessed. Particles had much lower ergosterol contents than leaves, suggesting major differences in the extent of fungal colonization. Pyrosequencing documented a total of 821 fungal operational taxonomic units (OTU, of which 726 were exclusive to particles and 47 to leaf samples. Most fungal phyla were represented, including yeast lineages (e.g., Taphrinaceae and Saccharomycotina, Basidiomycota, Chytridiomycota and Cryptomycota, but several classes of Pezizomycontina (Ascomycota dominated. Cluster dendrograms clearly separated fungal communities from leaves and from particles. Characterizing fungal communities may shed some light on the processing pathways of fine particles in streams and broadens our view of the phylogenetic composition of fungi in freshwater ecosystems.

  5. Size fractionation of waste-to-energy boiler ash enables separation of a coarse fraction with low dioxin concentrations.

    Weidemann, E; Allegrini, E; Fruergaard Astrup, T; Hulgaard, T; Riber, C; Jansson, S

    2016-03-01

    Polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) formed in modern Waste-to-Energy plants are primarily found in the generated ashes and air pollution control residues, which are usually disposed of as hazardous waste. The objective of this study was to explore the occurrence of PCDD/F in different grain size fractions in the boiler ash, i.e. ash originating from the convection pass of the boiler. If a correlation between particle size and dioxin concentrations could be found, size fractionation of the ashes could reduce the total amount of hazardous waste. Boiler ash samples from ten sections of a boiler's convective part were collected over three sampling days, sieved into three different size fractions - 0.355 mm - and analysed for PCDD/F. The coarse fraction (>0.355 mm) in the first sections of the horizontal convection pass appeared to be of low toxicity with respect to dioxin content. While the total mass of the coarse fraction in this boiler was relatively small, sieving could reduce the amount of ash containing toxic PCDD/F by around 0.5 kg per tonne input waste or around 15% of the collected boiler ash from the convection pass. The mid-size fraction in this study covered a wide size range (0.09-0.355 mm) and possibly a low toxicity fraction could be identified by splitting this fraction into more narrow size ranges. The ashes exhibited uniform PCDD/F homologue patterns which suggests a stable and continuous generation of PCDD/F. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Preferential Flow Paths and Recirculation-Disrupting Jets in the Leeside of Self-Forming Coarse-Grained Laboratory Bedforms

    Lichtner, D.; Christensen, K. T.; Best, J.; Blois, G.

    2014-12-01

    Exchange of fluid in the near-subsurface of a streambed is influenced by turbulence in the free flow, as well as by bed topography and permeability. Macro-roughness elements such as bedforms are known to produce pressure gradients that drive fluid into the streambed on their stoss sides and out of the bed on their lee sides. To study the modification of the near-bed flow field by self-forming permeable bedforms, laboratory experiments were conducted in a 5 mm wide flume filled with 1.3 mm glass beads. The narrow width of the flume permitted detailed examination of the fluid exiting the bed immediately downstream of a bedform. Dense 2-D velocity field measurements were gathered using particle image velocimetry (PIV). In up to 8% of instantaneous PIV realizations, the flow at the near-bed presented a component perpendicular to the streambed, indicating flow across the interface. At the downstream side of the bedform, such flow disrupted the mean recirculation pattern that is typically observed in finer sediment beds. It is hypothesized that the coarse grain size and the resulting high bed permeability promote such near-surface jet events. A qualitative analysis of raw image frames indicated that an in-place jostling of sediment is associated with these jets thus suggesting that subsurface flow may be characterized by impulsive events. These observations are relevant to hyporheic exchange rates in coarse sediments and can have strong morphodynamic implications as they can explain the lack of ripples and characteristics of dunes in high permeability gravels. Overall, further study of the flow structure over highly permeable streambeds is needed to understand subsurface exchange and bedform initiation.

  7. Health effects of exhaust particles

    Pihlava, T.; Uuppo, M.; Niemi, S.

    2013-11-01

    This report introduces general information about diesel particles and their health effects. The purpose of this report is to introduce particulate matter pollution and present some recent studies made regarding the health effects of particulate matter. The aim is not to go very deeply into the science, but instead to keep the text understandable for the average layman. Particulate matter is a complex mixture of extremely small particles and liquid droplets. These small particles are made up of a number of components that include for example acids, such as nitrates and sulphates, as well as organic chemicals, metals and dust particles from the soil. Particulate matter comes from several sources, such as transportation emissions, industrial emissions, forest fires, cigarette smoke, volcanic ash and climate variations. Particles are divided into coarse particles with diameters less than 10 ..m, fine particles with diameters smaller than 2.5 ..m and ultra-fine particles with diameters less than 0.1 ..m. The particulate matter in diesel exhaust gas is a highly complex mixture of organic, inorganic, solid, volatile and partly volatile compounds. Many of these particles do not form until they reach the air. Many carcinogenic compounds have been found in diesel exhaust gas and it is considered carcinogenic to humans. Particulate matter can cause several health effects, such as premature death in persons with heart or lung disease, cancer, nonfatal heart attacks, irregular heartbeat, aggravated asthma, decreased lung function and an increase in respiratory symptoms, such as irritation of the airways, coughing or difficulty breathing. It is estimated that in Finland about 1300 people die prematurely due to particles and the economic loss in the EU due to the health effects of particles can be calculated in the billions. Ultra-fine particles are considered to be the most harmful to human health. Ultrafine particles usually make the most of their quantity and surface area

  8. Effect of corn silage particle size and level of soybean oil on ruminal ...

    To determine the effects of two corn silage particle size (coarse particle with geometric mean of 5.83 ± 2.47 mm and fine particle with geometric mean of 4.74 ± 2.74 mm) and two levels of soybean oil (0 and 4% of DM) on ruminal mat composition, distribution and consistency, four two years fistulated ruminant Zel ewes (BW ...

  9. Particle accelerator

    Ress, R.I.

    1976-01-01

    Charged particles are entrained in a predetermined direction, independent of their polarity, in a circular orbit by a magnetic field rotating at high speed about an axis in a closed cylindrical or toroidal vessel. The field may be generated by a cylindrical laser structure, whose beam is polygonally reflected from the walls of an excited cavity centered on the axis, or by high-frequency energization of a set of electromagnets perpendicular to the axis. In the latter case, a separate magnetostatic axial field limits the orbital radius of the particles. These rotating and stationary magnetic fields may be generated centrally or by individual magnets peripherally spaced along its circular orbit. Chemical or nuclear reactions can be induced by collisions between the orbiting particles and an injected reactant, or by diverting high-speed particles from one doughnut into the path of counterrotating particles in an adjoining doughnut

  10. Influence of uncoated and coated plastic waste coarse aggregates to concrete compressive strength

    Purnomo Heru

    2017-01-01

    Full Text Available The use of plastic waste as coarse aggregates in concrete is part of efforts to reduce environmental pollution. In one hand the use of plastic as aggregates can provide lighter weight of the concrete than concrete using natural aggregates, but on the other hand bond between plastic coarse aggregates and hard matrix give low concrete compressive strength. Improvement of the bond between plastic coarse aggregate and hard matrix through a sand coating to plastic coarse aggregate whole surface is studied. Sand used to coat the plastic aggregates are Merapi volcanic sand which are taken in Magelang. Three mixtures of polypropylene (PP coarse plastic aggregates, Cimangkok river sand as fine aggregates, water and Portland Cement Composite with a water-cement ratio of 0.28, 0.3 and 0.35 are conducted. Compression test are performed on concrete cylindrical specimens with a diameter of 10 cm and a height of 20 cm. The results in general show that concrete specimens using plastic aggregates coated with sand have higher compressive strength compared to those of concrete specimens using plastic aggregates without sand coating. The bond improvement is indirectly indicated by the betterment of concrete compressive strength.

  11. Dynamics in coarse-grained models for oligomer-grafted silica nanoparticles

    Hong, Bingbing

    2012-01-01

    Coarse-grained models of poly(ethylene oxide) oligomer-grafted nanoparticles are established by matching their structural distribution functions to atomistic simulation data. Coarse-grained force fields for bulk oligomer chains show excellent transferability with respect to chain lengths and temperature, but structure and dynamics of grafted nanoparticle systems exhibit a strong dependence on the core-core interactions. This leads to poor transferability of the core potential to conditions different from the state point at which the potential was optimized. Remarkably, coarse graining of grafted nanoparticles can either accelerate or slowdown the core motions, depending on the length of the grafted chains. This stands in sharp contrast to linear polymer systems, for which coarse graining always accelerates the dynamics. Diffusivity data suggest that the grafting topology is one cause of slower motions of the cores for short-chain oligomer-grafted nanoparticles; an estimation based on transition-state theory shows the coarse-grained core-core potential also has a slowing-down effect on the nanoparticle organic hybrid materials motions; both effects diminish as grafted chains become longer. © 2012 American Institute of Physics.

  12. Technological possibilities for increasing coarse coal yield in the Staszic mine

    Sikora, W; Major, M

    1985-06-01

    Experiments carried out in the Staszic underground black coal mine in Upper Silesia showed that there is a correlation of coarse coal yield and yield strength of shield supports used at longwall faces. The faces were equipped with Pioma 25-45, Fazos 15-31 and Fazos 19-32 shield supports, KWB 3RDU shearer loaders and Rybnik chain conveyors. Pressure of oil in water emulsion used in the Pioma 25/45 shield supports was reduced from the recommended 30 MPa to 15 MPa or to 10 MPa. Reducing emulsion pressure (and support yield strength) caused an increase in coarse coal yield. Coarse coal yield was also increased by use of Fazos 19/32 shield supports with reduced yield strength. During the tests coarse coal yield increased 1.68% and 2.65%. Test results are shown in 3 diagrams. Investigations carried out in the Staszic mine in 1983 showed that by optimizing yield strength of shield supports coarse coal yield could be increased 2 to 8%. 6 references.

  13. Boltzmann rovibrational collisional coarse-grained model for internal energy excitation and dissociation in hypersonic flows.

    Munafò, A; Panesi, M; Magin, T E

    2014-02-01

    A Boltzmann rovibrational collisional coarse-grained model is proposed to reduce a detailed kinetic mechanism database developed at NASA Ames Research Center for internal energy transfer and dissociation in N(2)-N interactions. The coarse-grained model is constructed by lumping the rovibrational energy levels of the N(2) molecule into energy bins. The population of the levels within each bin is assumed to follow a Boltzmann distribution at the local translational temperature. Excitation and dissociation rate coefficients for the energy bins are obtained by averaging the elementary rate coefficients. The energy bins are treated as separate species, thus allowing for non-Boltzmann distributions of their populations. The proposed coarse-grained model is applied to the study of nonequilibrium flows behind normal shock waves and within converging-diverging nozzles. In both cases, the flow is assumed inviscid and steady. Computational results are compared with those obtained by direct solution of the master equation for the rovibrational collisional model and a more conventional multitemperature model. It is found that the proposed coarse-grained model is able to accurately resolve the nonequilibrium dynamics of internal energy excitation and dissociation-recombination processes with only 20 energy bins. Furthermore, the proposed coarse-grained model provides a superior description of the nonequilibrium phenomena occurring in shock heated and nozzle flows when compared with the conventional multitemperature models.

  14. Horizontal Residual Mean Circulation: Evaluation of Spatial Correlations in Coarse Resolution Ocean Models

    Li, Y.; McDougall, T. J.

    2016-02-01

    Coarse resolution ocean models lack knowledge of spatial correlations between variables on scales smaller than the grid scale. Some researchers have shown that these spatial correlations play a role in the poleward heat flux. In order to evaluate the poleward transport induced by the spatial correlations at a fixed horizontal position, an equation is obtained to calculate the approximate transport from velocity gradients. The equation involves two terms that can be added to the quasi-Stokes streamfunction (based on temporal correlations) to incorporate the contribution of spatial correlations. Moreover, these new terms do not need to be parameterized and is ready to be evaluated by using model data directly. In this study, data from a high resolution ocean model have been used to estimate the accuracy of this HRM approach for improving the horizontal property fluxes in coarse-resolution ocean models. A coarse grid is formed by sub-sampling and box-car averaging the fine grid scale. The transport calculated on the coarse grid is then compared to the transport on original high resolution grid scale accumulated over a corresponding number of grid boxes. The preliminary results have shown that the estimate on coarse resolution grids roughly match the corresponding transports on high resolution grids.

  15. Particle detectors

    Hilke, Hans Jürgen

    1992-01-01

    We shall discuss the principles of the main techniques applied to particle detection (including front-end electronics), the construction and performance of some of the devices presently in operation and a few ideas on future developments.

  16. The basis of orientation decoding in human primary visual cortex: fine- or coarse-scale biases?

    Maloney, Ryan T

    2015-01-01

    Orientation signals in human primary visual cortex (V1) can be reliably decoded from the multivariate pattern of activity as measured with functional magnetic resonance imaging (fMRI). The precise underlying source of these decoded signals (whether by orientation biases at a fine or coarse scale in cortex) remains a matter of some controversy, however. Freeman and colleagues (J Neurosci 33: 19695-19703, 2013) recently showed that the accuracy of decoding of spiral patterns in V1 can be predicted by a voxel's preferred spatial position (the population receptive field) and its coarse orientation preference, suggesting that coarse-scale biases are sufficient for orientation decoding. Whether they are also necessary for decoding remains an open question, and one with implications for the broader interpretation of multivariate decoding results in fMRI studies. Copyright © 2015 the American Physiological Society.

  17. Formulation of coarse mesh finite difference to calculate mathematical adjoint flux

    Pereira, Valmir; Martinez, Aquilino Senra; Silva, Fernando Carvalho da

    2002-01-01

    The objective of this work is the obtention of the mathematical adjoint flux, having as its support the nodal expansion method (NEM) for coarse mesh problems. Since there are difficulties to evaluate this flux by using NEM. directly, a coarse mesh finite difference program was developed to obtain this adjoint flux. The coarse mesh finite difference formulation (DFMG) adopted uses results of the direct calculation (node average flux and node face averaged currents) obtained by NEM. These quantities (flux and currents) are used to obtain the correction factors which modify the classical finite differences formulation . Since the DFMG formulation is also capable of calculating the direct flux it was also tested to obtain this flux and it was verified that it was able to reproduce with good accuracy both the flux and the currents obtained via NEM. In this way, only matrix transposition is needed to calculate the mathematical adjoint flux. (author)

  18. Coarse-mesh discretized low-order quasi-diffusion equations for subregion averaged scalar fluxes

    Anistratov, D. Y.

    2004-01-01

    In this paper we develop homogenization procedure and discretization for the low-order quasi-diffusion equations on coarse grids for core-level reactor calculations. The system of discretized equations of the proposed method is formulated in terms of the subregion averaged group scalar fluxes. The coarse-mesh solution is consistent with a given fine-mesh discretization of the transport equation in the sense that it preserves a set of average values of the fine-mesh transport scalar flux over subregions of coarse-mesh cells as well as the surface currents, and eigenvalue. The developed method generates numerical solution that mimics the large-scale behavior of the transport solution within assemblies. (authors)

  19. Coarse Grained Molecular Dynamics Simulations of Transmembrane Protein-Lipid Systems

    Peter Spijker

    2010-06-01

    Full Text Available Many biological cellular processes occur at the micro- or millisecond time scale. With traditional all-atom molecular modeling techniques it is difficult to investigate the dynamics of long time scales or large systems, such as protein aggregation or activation. Coarse graining (CG can be used to reduce the number of degrees of freedom in such a system, and reduce the computational complexity. In this paper the first version of a coarse grained model for transmembrane proteins is presented. This model differs from other coarse grained protein models due to the introduction of a novel angle potential as well as a hydrogen bonding potential. These new potentials are used to stabilize the backbone. The model has been validated by investigating the adaptation of the hydrophobic mismatch induced by the insertion of WALP-peptides into a lipid membrane, showing that the first step in the adaptation is an increase in the membrane thickness, followed by a tilting of the peptide.

  20. The Andatza coarse-grained turbidite system (westernmost Pyrenees: Stratigraphy, sedimentology and structural control

    A. Bodego

    2017-06-01

    Full Text Available This is a field-based work that describes the stratigraphy and sedimentology of the Andatza Conglomerate Formation. Based on facies analysis three facies associations of a coarse-grained turbidite system and the related slope have been identified: (1 an inner fan of a turbidite system (or canyon and (2 a low- and (3 a high-gradient muddy slope respectively. The spatial distribution of the facies associations and the palaeocurrent analysis allow to interpret a depositional model for the Andatza Conglomerates consisting of an L-shaped, coarse-grained turbidite system, whose morphology was structurally controlled by synsedimentary basement-involved normal faults. The coarse-grained character of the turbidite system indicates the proximity of the source area, with the presence of a narrow shelf that fed the turbidite canyon from the north.

  1. Separation and collection of coarse aggregate from waste concrete by electric pulsed power

    Shigeishi, Mitsuhiro

    2017-09-01

    Waste concrete accounts for a substantial fraction of construction waste, and the recycling of waste concrete as concrete aggregate for construction is an important challenge associated with the rapid increase in the amount of waste concrete and the tight supply of natural aggregate. In this study, we propose a technique based on the use of high-voltage pulsed electric discharge into concrete underwater for separating and collecting aggregate from waste concrete with minimal deterioration of quality. By using this technique, the quality of the coarse aggregate separated and collected from concrete test specimens is comparable to that of coarse aggregate recycled by heating and grinding methods, thus satisfying the criteria in Japan Industrial Standard (JIS) A 5021 for the oven-dry density and the water absorption of coarse aggregate by advanced recycling.

  2. Auroral particles

    Evans, D.S.

    1987-01-01

    The problems concerning the aurora posed prior to the war are now either solved in principle or were restated in a more fundamental form. The pre-war hypothesis concerning the nature of the auroral particles and their energies was fully confirmed, with the exception that helium and oxygen ions were identified as participating in the auroral particle precipitation in addition to the protons. The nature of the near-Earth energization processes affecting auroral particles was clarified. Charged particle trajectories in various electric field geometries were modeled. The physical problems have now moved from determining the nature and geometry of the electric fields, which accelerate charged particles near the Earth, to accounting for the existence of these electric fields as a natural consequence of the solar wind's interaction with Earth. Ultimately the reward in continuing the work in auroral and magnetospheric particle dynamics will be a deeper understanding of the subtleties of classical electricity and magnetism as applied to situations not blessed with well-defined and invariant geometries

  3. Systematic and simulation-free coarse graining of homopolymer melts: A structure-based study

    Yang, Delian; Wang, Qiang

    2015-01-01

    We propose a systematic and simulation-free strategy for coarse graining of homopolymer melts, where each chain of N m monomers is uniformly divided into N segments, with the spatial position of each segment corresponding to the center-of-mass of its monomers. We use integral-equation theories suitable for the study of equilibrium properties of polymers, instead of many-chain molecular simulations, to obtain the structural and thermodynamic properties of both original and coarse-grained (CG) systems, and quantitatively examine how the effective pair potentials between CG segments and the thermodynamic properties of CG systems vary with N. Our systematic and simulation-free strategy is much faster than those using many-chain simulations, thus effectively solving the transferability problem in coarse graining, and provides the quantitative basis for choosing the appropriate N-values. It also avoids the problems caused by finite-size effects and statistical uncertainties in many-chain simulations. Taking the simple hard-core Gaussian thread model [K. S. Schweizer and J. G. Curro, Chem. Phys. 149, 105 (1990)] as the original system, we demonstrate our strategy applied to structure-based coarse graining, which is quite general and versatile, and compare in detail the various integral-equation theories and closures for coarse graining. Our numerical results show that the effective CG potentials for various N and closures can be collapsed approximately onto the same curve, and that structure-based coarse graining cannot give thermodynamic consistency between original and CG systems at any N < N m

  4. Fine-coarse semantic processing in schizophrenia: a reversed pattern of hemispheric dominance.

    Zeev-Wolf, Maor; Goldstein, Abraham; Levkovitz, Yechiel; Faust, Miriam

    2014-04-01

    Left lateralization for language processing is a feature of neurotypical brains. In individuals with schizophrenia, lack of left lateralization is associated with the language impairments manifested in this population. Beeman׳s fine-coarse semantic coding model asserts left hemisphere specialization in fine (i.e., conventionalized) semantic coding and right hemisphere specialization in coarse (i.e., non-conventionalized) semantic coding. Applying this model to schizophrenia would suggest that language impairments in this population are a result of greater reliance on coarse semantic coding. We investigated this hypothesis and examined whether a reversed pattern of hemispheric involvement in fine-coarse semantic coding along the time course of activation could be detected in individuals with schizophrenia. Seventeen individuals with schizophrenia and 30 neurotypical participants were presented with two word expressions of four types: literal, conventional metaphoric, unrelated (exemplars of fine semantic coding) and novel metaphoric (an exemplar of coarse semantic coding). Expressions were separated by either a short (250 ms) or long (750 ms) delay. Findings indicate that whereas during novel metaphor processing, controls displayed a left hemisphere advantage at 250 ms delay and right hemisphere advantage at 750 ms, individuals with schizophrenia displayed the opposite. For conventional metaphoric and unrelated expressions, controls showed left hemisphere advantage across times, while individuals with schizophrenia showed a right hemisphere advantage. Furthermore, whereas individuals with schizophrenia were less accurate than control at judging literal, conventional metaphoric and unrelated expressions they were more accurate when judging novel metaphors. Results suggest that individuals with schizophrenia display a reversed pattern of lateralization for semantic coding which causes them to rely more heavily on coarse semantic coding. Thus, for individuals with

  5. Elementary particles and particle interactions

    Bethge, K.; Schroeder, U.E.

    1986-01-01

    This book is a textbook for an introductory course of elementary particle physics. After a general introduction the symmetry principles governing the interactions of elementary particles are discussed. Then the phenomenology of the electroweak and strong interactions are described together with a short introduction to the Weinberg-Salam theory respectively to quantum chromodynamics. Finally a short outlook is given to grand unification with special regards to SU(5) and cosmology in the framework of the current understanding of the fundamental principles of nature. In the appendix is a table of particle properties and physical constants. (HSI) [de

  6. A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate

    Zeman, Johannes; Uhlig, Frank; Smiatek, Jens; Holm, Christian

    2017-12-01

    We present a coarse-grained polarizable molecular dynamics force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]). For the treatment of electronic polarizability, we employ the Drude model. Our results show that the new explicitly polarizable force field reproduces important static and dynamic properties such as mass density, enthalpy of vaporization, diffusion coefficients, or electrical conductivity in the relevant temperature range. In situations where an explicit treatment of electronic polarizability might be crucial, we expect the force field to be an improvement over non-polarizable models, while still profiting from the reduction of computational cost due to the coarse-grained representation.

  7. FROM ATOMISTIC TO SYSTEMATIC COARSE-GRAINED MODELS FOR MOLECULAR SYSTEMS

    Harmandaris, Vagelis

    2017-10-03

    The development of systematic (rigorous) coarse-grained mesoscopic models for complex molecular systems is an intense research area. Here we first give an overview of methods for obtaining optimal parametrized coarse-grained models, starting from detailed atomistic representation for high dimensional molecular systems. Different methods are described based on (a) structural properties (inverse Boltzmann approaches), (b) forces (force matching), and (c) path-space information (relative entropy). Next, we present a detailed investigation concerning the application of these methods in systems under equilibrium and non-equilibrium conditions. Finally, we present results from the application of these methods to model molecular systems.

  8. Exact CTP renormalization group equation for the coarse-grained effective action

    Dalvit, D.A.; Mazzitelli, F.D.

    1996-01-01

    We consider a scalar field theory in Minkowski spacetime and define a coarse-grained closed time path (CTP) effective action by integrating quantum fluctuations of wavelengths shorter than a critical value. We derive an exact CTP renormalization group equation for the dependence of the effective action on the coarse-graining scale. We solve this equation using a derivative expansion approach. Explicit calculation is performed for the λφ 4 theory. We discuss the relevance of the CTP average action in the study of nonequilibrium aspects of phase transitions in quantum field theory. copyright 1996 The American Physical Society

  9. Fouling of coarse-clastic sediments with macrophytes depending on the rate of abrasion, Murmansk coast

    Malavenda, S. V.; Mitayev, M. V.; Malavenda, S. S.; Gerasimova, M. V.

    2017-05-01

    It is shown for the first time that the hydrodynamics and average daily gradient of air temperature affect the rate of abrasion of the coarse-clastic material on the boulder littoral of the Murmansk coast, as well as the density of its fouling by macroalgae. The proportion and biomass of species-explerents vary depending on the hydrological and meteorological conditions. The annual species-explerents ( Acrosiphonia arcta, Blidingia minima, Spongomorpha aeruginosa, Pylaiella littoralis) are the basis for new phytocenoses. In the fucus phytocenoses of the boulder littoral, these groupings represent the intermediate stage of fouling of the coarse-clastic material.

  10. Modelling ventricular fibrillation coarseness during cardiopulmonary resuscitation by mixed effects stochastic differential equations.

    Gundersen, Kenneth; Kvaløy, Jan Terje; Eftestøl, Trygve; Kramer-Johansen, Jo

    2015-10-15

    For patients undergoing cardiopulmonary resuscitation (CPR) and being in a shockable rhythm, the coarseness of the electrocardiogram (ECG) signal is an indicator of the state of the patient. In the current work, we show how mixed effects stochastic differential equations (SDE) models, commonly used in pharmacokinetic and pharmacodynamic modelling, can be used to model the relationship between CPR quality measurements and ECG coarseness. This is a novel application of mixed effects SDE models to a setting quite different from previous applications of such models and where using such models nicely solves many of the challenges involved in analysing the available data. Copyright © 2015 John Wiley & Sons, Ltd.

  11. Effects of coarse-graining on the scaling behavior of long-range correlated and anti-correlated signals

    Xu, Yinlin; Ma, Qianli D.Y.; Schmitt, Daniel T.; Bernaola-Galván, Pedro; Ivanov, Plamen Ch.

    2011-01-01

    We investigate how various coarse-graining methods affect the scaling properties of long-range power-law correlated and anti-correlated signals, quantified by the detrended fluctuation analysis. Specifically, for coarse-graining in the magnitude of a signal, we consider (i) the Floor, (ii) the Symmetry and (iii) the Centro-Symmetry coarse-graining methods. We find, that for anti-correlated signals coarse-graining in the magnitude leads to a crossover to random behavior at large scales, and th...

  12. High-temperature LDV seed particle development

    Frish, Michael B.; Pierce, Vicky G.

    1989-05-01

    The feasibility of developing a method for making monodisperse, unagglomerated spherical particles greater than 50 nm in diameter was demonstrated. Carbonaceous particles were made by pyrolyzing ethylene with a pulsed CO2 laser, thereby creating a non-equilibrium mixture of carbon, hydrogen, hydrocarbon vapors, and unpyrolyzed ethylene. Via a complex series of reactions, the carbon and hydrocarbon vapors quickly condensed into the spherical particles. By cooling and dispersing them in a supersonic expansion immediately after their creation, the hot newly-formed spheres were prevented from colliding and coalescing, thus preventing the problem of agglomeration which as plagued other investigators studying laser-simulated particle formation. The cold particles could be left suspended in the residual gases indefinitely without agglomerating. Their uniform sizes and unagglomerated nature were visualized by collecting the particles on filters that were subsequently examined using electron microscopy. It was found the mean particle size can be coarsely controlled by varying the initial ethylene pressure, and can be finely controlled by varying the fluence (energy/unit area) with which the laser irradiates the gas. The motivating application for this research was to manufacture particles that could be used as laser Doppler velocimetry (LDV) seeds in high-temperature high-speed flows. Though the particles made in this program will not evaporate until heated to about 3000 K, and thus could serve as LDV seeds in some applications, they are not ideal when the hot atmosphere is also oxidizing. In that situation, ceramic materials would be preferable. Research performed elsewhere has demonstrated that selected ceramic materials can be manufactured by laser pyrolysis of appropriate supply gases. It is anticipated that, when the same gases are used in conjunction with the rapid cooling technique, unagglomerated spherical ceramic particles can be made with little difficulty. Such

  13. Particle detectors

    Hilke, Hans Jürgen; Joram, Christian; CERN. Geneva

    1991-01-01

    Lecture 5: Detector characteristics: ALEPH Experiment cut through the devices and events - Discuss the principles of the main techniques applied to particle detection ( including front-end electronics), the construction and performance of some of the devices presently in operartion and a few ideas on the future performance. Lecture 4-pt. b Following the Scintillators. Lecture 4-pt. a : Scintillators - Used for: -Timing (TOF, Trigger) - Energy Measurement (Calorimeters) - Tracking (Fibres) Basic scintillation processes- Inorganic Scintillators - Organic Scintil - Discuss the principles of the main techniques applied to particle detection ( including front-end electronics), the construction and performance of some of the devices presently in operation and a fiew ideas on future developpement session 3 - part. b Following Calorimeters lecture 3-pt. a Calorimeters - determine energy E by total absorption of charged or neutral particles - fraction of E is transformed into measurable quantities - try to acheive sig...

  14. Stable particles

    Samios, N.P.

    1993-01-01

    I have been asked to review the subject of stable particles, essentially the particles that eventually comprised the meson and baryon octets. with a few more additions -- with an emphasis on the contributions made by experiments utilizing the bubble chamber technique. In this activity, much work had been done by the photographic emulsion technique and cloud chambers-exposed to cosmic rays as well as accelerator based beams. In fact, many if not most of the stable particles were found by these latter two techniques, however, the forte of the bubble chamber (coupled with the newer and more powerful accelerators) was to verify, and reinforce with large statistics, the existence of these states, to find some of the more difficult ones, mainly neutrals and further to elucidate their properties, i.e., spin, parity, lifetimes, decay parameters, etc

  15. Facile mechanochemical synthesis of nano SnO2/graphene composite from coarse metallic Sn and graphite oxide: an outstanding anode material for lithium-ion batteries.

    Ye, Fei; Zhao, Bote; Ran, Ran; Shao, Zongping

    2014-04-01

    A facile method for the large-scale synthesis of SnO2 nanocrystal/graphene composites by using coarse metallic Sn particles and cheap graphite oxide (GO) as raw materials is demonstrated. This method uses simple ball milling to realize a mechanochemical reaction between Sn particles and GO. After the reaction, the initial coarse Sn particles with sizes of 3-30 μm are converted to SnO2 nanocrystals (approximately 4 nm) while GO is reduced to graphene. Composite with different grinding times (1 h 20 min, 2 h 20 min or 8 h 20 min, abbreviated to 1, 2 or 8 h below) and raw material ratios (Sn:GO, 1:2, 1:1, 2:1, w/w) are investigated by X-ray diffraction, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy and transmission electron microscopy. The as-prepared SnO2 /graphene composite with a grinding time of 8 h and raw material ratio of 1:1 forms micrometer-sized architected chips composed of composite sheets, and demonstrates a high tap density of 1.53 g cm(-3). By using such composites as anode material for LIBs, a high specific capacity of 891 mA h g(-1) is achieved even after 50 cycles at 100 mA g(-1). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Fully stratified particle-laden flow in horizontal circular pipe

    Vlasák, Pavel; Kysela, Bohuš; Chára, Zdeněk

    2014-01-01

    Roč. 32, č. 2 (2014), s. 179-185 ISSN 0272-6351. [7th International Conference for Conveying and Handling of Particulate Solids (CHoPS). Friedrichshafen, 10.09.2013-13.09.2012] R&D Projects: GA ČR GAP105/10/1574 Institutional support: RVO:67985874 Keywords : coarse-grained slurry * flow structure * liquid local velocity * particle velocity * PIV Subject RIV: BK - Fluid Dynamics Impact factor: 0.523, year: 2014

  17. Particle physics

    Martin, Brian R

    2017-01-01

    An accessible and carefully structured introduction to Particle Physics, including important coverage of the Higgs Boson and recent progress in neutrino physics. Fourth edition of this successful title in the Manchester Physics series. Includes information on recent key discoveries including : An account of the discovery of exotic hadrons, beyond the simple quark model; Expanded treatments of neutrino physics and CP violation in B-decays; An updated account of ‘physics beyond the standard model’, including the interaction of particle physics with cosmology; Additional problems in all chapters, with solutions to selected problems available on the book’s website; Advanced material appears in optional starred sections.

  18. Coarse woody debris carbon storage across a mean annual temperature gradient in tropical montane wet forest

    Darcey K. Iwashita; Creighton M. Litton; Christian P. Giardina

    2013-01-01

    Coarse woody debris (CWD; defined here as fallen and standing dead trees and tree ferns) is a critical structural and functional component of forest ecosystems that typically comprises a large proportion of total aboveground carbon (C) storage. However, CWD estimates for the tropics are uncommon, and little is known about how C storage in CWD will respond to climate...

  19. Combining fine texture and coarse color features for color texture classification

    Wang, Junmin; Fan, Yangyu; Li, Ning

    2017-11-01

    Color texture classification plays an important role in computer vision applications because texture and color are two fundamental visual features. To classify the color texture via extracting discriminative color texture features in real time, we present an approach of combining the fine texture and coarse color features for color texture classification. First, the input image is transformed from RGB to HSV color space to separate texture and color information. Second, the scale-selective completed local binary count (CLBC) algorithm is introduced to extract the fine texture feature from the V component in HSV color space. Third, both H and S components are quantized at an optimal coarse level. Furthermore, the joint histogram of H and S components is calculated, which is considered as the coarse color feature. Finally, the fine texture and coarse color features are combined as the final descriptor and the nearest subspace classifier is used for classification. Experimental results on CUReT, KTH-TIPS, and New-BarkTex databases demonstrate that the proposed method achieves state-of-the-art classification performance. Moreover, the proposed method is fast enough for real-time applications.

  20. Coarse woody debris in undisturbed and logged forests in the eastern Brazilian Amazon.

    Michael Keller; Michael Palace; Gregory P. Asner; Rodrigo Jr. Pereira; Jose Natalino M. Silva

    2004-01-01

    Coarse woody debris (CWD) is an important component of the carbon cycle in tropical forests. We measured the volume and density of fallen CWD at two sites, Cauaxi and Tapajós in the Eastern Amazon. At both sites we studied undisturbed forests (UFs) and logged forests 1 year after harvest. Conventional logging (CL) and reduced impact logging (RIL) were...

  1. Role of soil texture, clay mineralogy, location, and temperature in coarse wood decomposition - a mesocosm experiment

    Cinzia Fissore; Martin F. Jurgensen; James Pickens; Chris Miller; Deborah Page-Dumroese; Christian P. Giardina

    2016-01-01

    Of all the major pools of terrestrial carbon (C), the dynamics of coarse woody debris (CWD) are the least understood. In contrast to soils and living vegetation, the study of CWD has rarely relied on ex situ methods for elaborating controls on decomposition rates. In this study, we report on a mesocosm incubation experiment examining how clay amount (8%, 16%,...

  2. Role of Neutral Lipids in Tear Fluid Lipid Layer: Coarse-Grained Simulation Study

    Telenius, J.; Koivuniemi, A.; Kulovesi, P.

    2012-01-01

    Tear fluid lipid layer (TFLL) residing at the air-water interface of tears has been recognized to play an important role in the development of dry eye syndrome. Yet, the composition, structure, and mechanical properties of TFLL are only partly known. Here, we report results of coarse...

  3. Characterizing protein conformations by correlation analysis of coarse-grained contact matrices

    Lindsay, Richard J.; Siess, Jan; Lohry, David P.; McGee, Trevor S.; Ritchie, Jordan S.; Johnson, Quentin R.; Shen, Tongye

    2018-01-01

    We have developed a method to capture the essential conformational dynamics of folded biopolymers using statistical analysis of coarse-grained segment-segment contacts. Previously, the residue-residue contact analysis of simulation trajectories was successfully applied to the detection of conformational switching motions in biomolecular complexes. However, the application to large protein systems (larger than 1000 amino acid residues) is challenging using the description of residue contacts. Also, the residue-based method cannot be used to compare proteins with different sequences. To expand the scope of the method, we have tested several coarse-graining schemes that group a collection of consecutive residues into a segment. The definition of these segments may be derived from structural and sequence information, while the interaction strength of the coarse-grained segment-segment contacts is a function of the residue-residue contacts. We then perform covariance calculations on these coarse-grained contact matrices. We monitored how well the principal components of the contact matrices is preserved using various rendering functions. The new method was demonstrated to assist the reduction of the degrees of freedom for describing the conformation space, and it potentially allows for the analysis of a system that is approximately tenfold larger compared with the corresponding residue contact-based method. This method can also render a family of similar proteins into the same conformational space, and thus can be used to compare the structures of proteins with different sequences.

  4. Power-Aware Rationale for Using Coarse-Grained Transponders in IP-Over-WDM Networks

    Saldaña Cercos, Silvia; Resendo, Leandro C.; Ribeiro, Moises R. N.

    2015-01-01

    .e., using 10 Gbps technology)? (2) What is the long-term cost of coarse-grained designs? We define a power-aware mixed integer linear programming (MILP) formulation based on actual modular architectures where modules are upgraded as the network traffic increases. We introduce, for the first time, important...

  5. Behaviour of fibre reinforced concrete using steel slag coarse aggregate produced in Qatar

    Alnahhal Wael

    2017-01-01

    Full Text Available The state of Qatar suffers from the shortage of natural resources needed for concrete production. Therefore, it is essential to investigate the feasibility of using by-product recycled materials as aggregates to maintain the concrete construction industry. Several types of recyclable materials are currently used in concrete. One of the potential resources of recycled concrete is steel slag. Knowing that Steel slag is the most significant solid waste generated by Qatar Steel Company in Qatar, replacing of natural coarse aggregate with steel slag aggregate will have a significant environmental and economic impact to the state of Qatar. This paper presents the compression and flexural test results of different concrete mixes made of steel slag coarse aggregate combined with a newly developed basalt chopped fibres. The parameters investigated included the volume fraction of the fibre used and the type of coarse aggregates (natural aggregates “Gabbro” and steel slag aggregates. Plain concrete specimens containing natural coarse aggregates and steel slag aggregates with no fibres added were also tested to serve as control. Test results showed that adding the basalt chopped fibres to the concrete mixes enhanced their flexural tensile strengths at different percentages. In addition, the compressive strength of concrete made with steel slag aggregate was higher than that made with natural gabbro aggregate. Test results clearly showed that steel slag aggregates can be used as sustainable and eco-friendly alternative materials in concrete structures.

  6. Lessons Learned from Designing the Montium a Coarse-Grained Reconfigurable Processing Tile

    Smit, Gerardus Johannes Maria; Heysters, P.M.; Rosien, M.A.J.; Molenkamp, Egbert

    2004-01-01

    In this paper we describe in retrospective the main results of a four year project, called Chameleon. As part of this project we developed a coarse-grained reconfigurable core for DSP algorithms in wirelessdevices denoted MONTIUM. After presenting the main achievements within this project we present

  7. DNA Self-Assembly and Computation Studied with a Coarse-grained Dynamic Bonded Model

    Svaneborg, Carsten; Fellermann, Harold; Rasmussen, Steen

    2012-01-01

    We utilize a coarse-grained directional dynamic bonding DNA model [C. Svaneborg, Comp. Phys. Comm. (In Press DOI:10.1016/j.cpc.2012.03.005)] to study DNA self-assembly and DNA computation. In our DNA model, a single nucleotide is represented by a single interaction site, and complementary sites can...

  8. Cyclic behavior of low rise concrete shear walls containing recycled coarse and fine aggregates

    Qiao, Qiyun; Cao, Wanlin; Qian, Zhiwei; Li, Xiangyu; Zhang, Wenwen; Liu, Wenchao

    2017-01-01

    In this study, the cyclic behaviors of low rise concrete shear walls using recycled coarse or fine aggregates were investigated. Eight low rise Recycled Aggregates Concrete (RAC) shear wall specimens were designed and tested under a cyclic loading. The following parameters were varied:

  9. Controlling coarse woody debris inventory quality: taper and relative size methods

    C.W. Woodall; J.A. Westfall

    2008-01-01

    Accurately measuring the dimensions of coarse woody debris (CWD) is critical for ensuring the quality of CWD estimates and, hence, for accurately estimating forest ecosystem attributes (e.g., CWD carbon stocks). To improve the quality of CWD dimensional measurements, the distribution of taper (ratio of change in diameter and length) and relative size (RS; ratio of...

  10. Critical point relascope sampling for unbiased volume estimation of downed coarse woody debris

    Jeffrey H. Gove; Michael S. Williams; Mark J. Ducey; Mark J. Ducey

    2005-01-01

    Critical point relascope sampling is developed and shown to be design-unbiased for the estimation of log volume when used with point relascope sampling for downed coarse woody debris. The method is closely related to critical height sampling for standing trees when trees are first sampled with a wedge prism. Three alternative protocols for determining the critical...

  11. Comparison of non-parametric methods for ungrouping coarsely aggregated data

    Rizzi, Silvia; Thinggaard, Mikael; Engholm, Gerda

    2016-01-01

    group at the highest ages. When histogram intervals are too coarse, information is lost and comparison between histograms with different boundaries is arduous. In these cases it is useful to estimate detailed distributions from grouped data. Methods From an extensive literature search we identify five...

  12. Common factors drive disease and coarse woody debris dynamics in forests impacted by sudden oak death

    Richard C. Cobb; Maggie N. Chan; Ross K. Meentemeyer; David M. Rizzo

    2011-01-01

    Disease ecology has made important steps in describing how epidemiological processes control the impact of pathogens on populations and communities but fewer field or theoretical studies address disease effects at the ecosystem level. We demonstrate that the same epidemiological mechanisms drive disease intensity and coarse woody debris (CWD) dynamics...

  13. Coarse woody debris assay in northern Arizona mixed-conifer and ponderosa pine forests

    Joseph L. Ganey; Scott C. Vojta

    2010-01-01

    Coarse woody debris (CWD) provides important ecosystem services in forests and affects fire behavior, yet information on amounts and types of CWD typically is limited. To provide such information, we sampled logs and stumps in mixed-conifer and ponderosa pine (Pinus ponderosa) forests in north-central Arizona. Spatial variability was prominent for all CWD parameters....

  14. Mechanical Properties of Lightweight Concrete Using Recycled Cement-Sand Brick as Coarse Aggregates Replacement

    Joohari, Ilya; Farhani Ishak, Nor; Amin, Norliyati Mohd

    2018-03-01

    This paper presents the result of replacing natural course aggregate with recycled cement-sand brick (CSB) towards the mechanical properties of concrete. Natural aggregates were used in this study as a control sample to compare with recycled coarse aggregates. This study was also carried to determine the optimum proportion of coarse aggregates replacement to produce lightweight concrete. Besides, this study was conducted to observe the crack and its behaviour development during the mechanical testing. Through this study, four types of concrete mixed were prepared, which were the control sample, 25%, 50% and 75% replacement of CSB. The test conducted to determine the effectiveness of recycled CSB as coarse aggregates replacement in this study were slump test, density measurement, compression test, and flexural test and. The strength of concrete was tested at 7 days and 28 days of curing. From the results obtained, the optimum proportion which produced the highest strength is 25% replacement of recycled CSB. The compressive and flexural strength has decreased by 10%-12% and 4%-34% respectively compared to the control sample. The presence of recycled coarse aggregates in sample has decreased the density of concrete by 0.8%-3% compared to the control sample.

  15. Comparing non-parametric methods for ungrouping coarsely aggregated age-specific distributions

    Rizzi, Silvia; Thinggaard, Mikael; Vaupel, James W.

    2016-01-01

    Demographers have often access to vital statistics that are less than ideal for the purpose of their research. In many instances demographic data are reported in coarse histograms, where the values given are only the summation of true latent values, thereby making detailed analysis troublesome. O...

  16. Network topology exploration of mesh-based coarse-grain reconfigurable architectures

    Bansal, N.; Gupta, S.; Dutt, N.D.; Nicolau, A.; Gupta, R.

    2004-01-01

    Several coarse-grain reconfigurable architectures proposed recently consist of a large number of processing elements (PEs) connected in a mesh-like network topology. We study the effects of three aspects of network topology exploration on the performance of applications on these architectures: (a)

  17. Perpendicular distance sampling: an alternative method for sampling downed coarse woody debris

    Michael S. Williams; Jeffrey H. Gove

    2003-01-01

    Coarse woody debris (CWD) plays an important role in many forest ecosystem processes. In recent years, a number of new methods have been proposed to sample CWD. These methods select individual logs into the sample using some form of unequal probability sampling. One concern with most of these methods is the difficulty in estimating the volume of each log. A new method...

  18. Improved Parameters for the Martini Coarse-Grained Protein Force Field

    de Jong, Djurre H.; Singh, Gurpreet; Bennett, W. F. Drew; Arnarez, Clement; Wassenaar, Tsjerk A.; Schafer, Lars V.; Periole, Xavier; Tieleman, D. Peter; Marrink, Siewert J.

    The Martini coarse-grained force field has been successfully used for simulating a wide range of (bio)molecular systems. Recent progress in our ability to test the model against fully atomistic force fields, however, has revealed some shortcomings. Most notable, phenylalanine and proline were too

  19. A coarse-to-fine scheme for groupwise registration of multisensor images

    Yinghao Li

    2016-11-01

    Full Text Available Ensemble registration is concerned with a group of images that need to be registered simultaneously. It is challenging but important for many image analysis tasks such as vehicle detection and medical image fusion. To solve this problem effectively, a novel coarse-to-fine scheme for groupwise image registration is proposed. First, in the coarse registration step, unregistered images are divided into reference image set and float image set. The images of the two sets are registered based on segmented region matching. The coarse registration results are used as an initial solution for the next step. Then, in the fine registration step, a Gaussian mixture model with a local template is used to model the joint intensity of coarse-registered images. Meanwhile, a minimum message length criterion-based method is employed to determine the unknown number of mixing components. Based on this mixture model, a maximum likelihood framework is used to register a group of images. To evaluate the performance of the proposed approach, some representative groupwise registration approaches are compared on different image data sets. The experimental results show that the proposed approach has improved performance compared to conventional approaches.

  20. Tamm Review: Sequestration of carbon from coarse woody debris in forest soils

    Magnússon, R.Í.; Tietema, A.; Cornelissen, J.H.C.; Hefting, M.M.; Kalbitz, K.

    2016-01-01

    Worldwide, forests have absorbed around 30% of global anthropogenic emissions of carbon dioxide (CO2) annually, thereby acting as important carbon (C) sinks. It is proposed that leaving large fragments of dead wood, coarse woody debris (CWD), in forest ecosystems may contribute to the forest C sink

  1. Pesticide residues in individual versus composite samples of apples after fine or coarse spray quality application

    Poulsen, M.; Wenneker, M.; Withagen, J.C.M.; Christensen, H.B.

    2012-01-01

    In this study, field trials on fine and coarse spray quality application of pesticides on apples were performed. The main objectives were to study the variation of pesticide residue levels in individual fruits versus composite samples, and the effect of standard fine spray quality application versus

  2. CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field

    Qi, Yifei; Ingolfsson, Helgi I.; Cheng, Xi; Lee, Jumin; Marrink, Siewert J.; Im, Wonpil

    Coarse-grained simulations are widely used to study large biological systems. Nonetheless, building such simulation systems becomes nontrivial, especially when membranes with various lipid types are involved. Taking advantage of the frameworks in all-atom CHARMM-GUI modules, we have developed

  3. Dry Martini, a Coarse-Grained Force Field for Lipid Membrane Simblations with Implicit Solvent

    Arnarez, Clement; Uusitalo, Jaakko J.; Masman, Marcelo F.; Ingolfsson, Helgi I.; de Jong, Djurre H.; Melo, Manuel N.; Periole, Xavier; de Vries, Alex H.; Marrink, Siewert J.

    Coarse-grained (CG) models allow simulation of larger systems for longer times by decreasing the number of degrees of freedom compared with all-atom models. Here we introduce an implicit-solvent version of the popular CG Martini model, nicknamed Dry Martini. To account for the omitted solvent

  4. Critical length sampling: a method to estimate the volume of downed coarse woody debris

    G& #246; ran St& #229; hl; Jeffrey H. Gove; Michael S. Williams; Mark J. Ducey

    2010-01-01

    In this paper, critical length sampling for estimating the volume of downed coarse woody debris is presented. Using this method, the volume of downed wood in a stand can be estimated by summing the critical lengths of down logs included in a sample obtained using a relascope or wedge prism; typically, the instrument should be tilted 90° from its usual...

  5. A comprehensive comparison of perpendicular distance sampling methods for sampling downed coarse woody debris

    Jeffrey H. Gove; Mark J. Ducey; Harry T. Valentine; Michael S. Williams

    2013-01-01

    Many new methods for sampling down coarse woody debris have been proposed in the last dozen or so years. One of the most promising in terms of field application, perpendicular distance sampling (PDS), has several variants that have been progressively introduced in the literature. In this study, we provide an overview of the different PDS variants and comprehensive...

  6. Implementing Non Power-of-Two FFTs on Coarse-Grain Reconfigurable Architectures

    Rivaton, Arnaud; Quevremont, Jérôme; Zhang, Q.; Wolkotte, P.T.; Smit, Gerardus Johannes Maria; Nurmi, J.; Takala, J.; Hamalainen, T.D.

    2005-01-01

    To improve power figures of a dual ARM9 RISC core architecture targeting low-power digital broadcasting applications, the addition of a coarse-grain architecture is considered. This paper introduces two of these structures: PACT's XPP technology and the Montium, developed by the University of

  7. Disentangling the drivers of coarse woody debris behavior and carbon gas emissions during fire

    Zhao, Weiwei; van der Werf, Guido R.; van Logtestijn, Richard S. P.; van Hal, Jurgen R.; Cornelissen, Johannes H. C.

    2016-04-01

    The turnover of coarse woody debris, a key terrestrial carbon pool, plays fundamental roles in global carbon cycling. Biological decomposition and fire are two main fates for dead wood turnover. Compared to slow decomposition, fire rapidly transfers organic carbon from the earth surface to the atmosphere. Both a-biotic environmental factors and biotic wood properties determine coarse wood combustion and thereby its carbon gas emissions during fire. Moisture is a key inhibitory environmental factor for fire. The properties of dead wood strongly affect how it burns either directly or indirectly through interacting with moisture. Coarse wood properties vary between plant species and between various decay stages. Moreover, if we put a piece of dead wood in the context of a forest fuel bed, the soil and wood contact might also greatly affect their fire behavior. Using controlled laboratory burns, we disentangled the effects of all these driving factors: tree species (one gymnosperms needle-leaf species, three angiosperms broad-leaf species), wood decay stages (freshly dead, middle decayed, very strongly decayed), moisture content (air-dried, 30% moisture content in mass), and soil-wood contact (on versus 3cm above the ground surface) on dead wood flammability and carbon gas efflux (CO2 and CO released in grams) during fire. Wood density was measured for all coarse wood samples used in our experiment. We found that compared to other drivers, wood decay stages have predominant positive effects on coarse wood combustion (for wood mass burned, R2=0.72 when air-dried and R2=0.52 at 30% moisture content) and associated carbon gas emissions (for CO2andCO (g) released, R2=0.55 when air-dried and R2=0.42 at 30% moisture content) during fire. Thus, wood decay accelerates wood combustion and its CO2 and CO emissions during fire, which can be mainly attributed to the decreasing wood density (for wood mass burned, R2=0.91 when air-dried and R2=0.63 at 30% moisture content) as wood

  8. String-like collective motion in the α- and β-relaxation of a coarse-grained polymer melt

    Pazmiño Betancourt, Beatriz A.; Starr, Francis W.; Douglas, Jack F.

    2018-03-01

    Relaxation in glass-forming liquids occurs as a multi-stage hierarchical process involving cooperative molecular motion. First, there is a "fast" relaxation process dominated by the inertial motion of the molecules whose amplitude grows upon heating, followed by a longer time α-relaxation process involving both large-scale diffusive molecular motion and momentum diffusion. Our molecular dynamics simulations of a coarse-grained glass-forming polymer melt indicate that the fast, collective motion becomes progressively suppressed upon cooling, necessitating large-scale collective motion by molecular diffusion for the material to relax approaching the glass-transition. In each relaxation regime, the decay of the collective intermediate scattering function occurs through collective particle exchange motions having a similar geometrical form, and quantitative relationships are derived relating the fast "stringlet" collective motion to the larger scale string-like collective motion at longer times, which governs the temperature-dependent activation energies associated with both thermally activated molecular diffusion and momentum diffusion.

  9. Identification and characterization of fine and coarse particulate matter sources in a middle-European urban environment

    Kertesz, Zs.; Szoboszlai, Z.; Angyal, A.; Dobos, E.; Borbely-Kiss, I.

    2010-01-01

    In this work a source apportionment study is presented which aimed to characterize the PM 2.5 and PM 2.5-10 sources in the urban area of Debrecen, East-Hungary by using streaker samples, IBA methods and positive matrix factorization (PMF) analysis. Samples of fine (PM 2.5 ) and coarse (PM 2.5-10 ) urban particulate matter were collected with 2 h time resolution in the frame of five sampling campaigns during 2007-2009 in different seasons in the downtown of Debrecen. Elemental concentrations from Al to Pb of over 1000 samples were obtained by particle induced X-ray emission (PIXE); concentrations of black carbon (BC) were determined with a smoke stain reflectometer. On this data base source apportionment was carried out by using the PMF method. Seven factors were identified for both size fractions, including soil dust, traffic, secondary aerosol - sulphates, domestic heating, oil combustion, agriculture and an unknown factor enriched with chlorine. Seasonal and daily variation of the different factors was studied as well as their dependence on meteorological parameters. Besides determining the time patterns characteristic to the city, several emission episodes were identified including a Saharan dust intrusion on 21st-24th May, 2008.

  10. Effect of Coarse Particle Volume Fraction on the Yield Stress of Muddy Sediments from Marennes Oléron Bay

    A. Pantet

    2010-01-01

    Full Text Available Coastal erosion results from a combination of various factors, both natural and humaninduced, which have different time and space patterns. In addition, uncertainties still remain about the interactions of the forcing agents, as well as on the significance of non-local causes of erosion. We focused about the surface sediments in the Marennes Oléron bay, after a general description of the site that has many various activities. The superficial sediments show a mechanical behavior, mainly depends on the fine fraction for a composition that contains up to 60% of sandy material. Fine sediments fraction has a typical yield stress depending naturally of concentration or water content. This yield could be modified slightly or significantly by adding silt or sand. As a result, the rheological measurement sensitivity allows us to characterize five typical sediments that correlate with solid fraction and fine fraction.

  11. Effect of brewing technique and particle size of the ground coffee on sensory profiling of brewed Dampit robusta coffee

    Fibrianto, K.; Febryana, Y. R.; Wulandari, E. S.

    2018-03-01

    This study aimed to assess the effect of different brewing techniques with the use of appropriate particle size standard of Apresiocoffee cafe (Category 1) compared to the difference brewing techniques with the use of the same particle size (coarse) (Category 2) of the sensory attributes Dampit robusta coffee. Rate-All-That-Apply (RATA) method was applied in this study, and the data was analysed by ANOVA General Linier Model (GLM) on Minitab-16. The influence of brewing techniques (tubruk, French-press, drips, syphon) and type of particle size ground coffee (fine, medium, coarse) were sensorially observed. The result showed that only two attributes, including bitter taste, and astringent/rough-mouth-feel were affected by brewing techniques (p-value <0.05) as observed for brewed coarse coffee powder.

  12. Elementary particles

    Prasad, R.

    1984-01-01

    Two previous monographs report on investigations into the extent to which a unified field theory can satisfactorily describe physical reality. The first, Unified field Theory, showed that the paths within a non-Riemannian space are governed by eigenvalue equations. The second, Fundamental Constants, show that the field tensors satisfy sets of differential equations with solutions which represent the evolution of the fields along the paths of the space. The results from the first two monographs are used in this one to make progress on the theory of elementary particles. The five chapters are as follows - Quantum mechanics, gravitation and electromagnetism are aspects of the Unified theory; the fields inside the particle; the quadratic and linear theories; the calculation of the eigenvalues and elementary particles as stable configurations of interacting fields. It is shown that it is possible to construct an internal structure theory for elementary particles. The theory lies within the framework of Einstein's programme-to identify physical reality with a specified geometrical structure. (U.K.)

  13. Pinpointing particles

    Miller, David J.

    1987-01-01

    The Conference on Position-Sensitive Detectors held at London's University College from 7-11 September highlighted the importance and the growing applications of these precision devices in many branches of science, underlining once again the high spinoff potential for techniques developed inside particle physics

  14. Particle tracking

    Mais, H.; Ripken, G.; Wrulich, A.; Schmidt, F.

    1986-02-01

    After a brief description of typical applications of particle tracking in storage rings and after a short discussion of some limitations and problems related with tracking we summarize some concepts and methods developed in the qualitative theory of dynamical systems. We show how these concepts can be applied to the proton ring HERA. (orig.)

  15. Pinpointing particles

    Miller, David J.

    1987-10-15

    The Conference on Position-Sensitive Detectors held at London's University College from 7-11 September highlighted the importance and the growing applications of these precision devices in many branches of science, underlining once again the high spinoff potential for techniques developed inside particle physics.

  16. Particle Physics

    2005-01-01

    While biomedicine and geoscience use grids to bring together many different sub-disciplines, particle physicists use grid computing to increase computing power and storage resources, and to access and analyze vast amounts of data collected from detectors at the world's most powerful accelerators (1 page)

  17. Seasonal variations and vertical features of aerosol particles in the Antarctic troposphere

    K. Hara

    2011-06-01

    Full Text Available Tethered balloon-borne aerosol measurements were conducted at Syowa Station, Antarctica during the 46th Japanese Antarctic expedition (2005–2006. The CN concentration reached a maximum in the summer, although the number concentrations of fine particles (Dp>0.3 μm and coarse particles (Dp>2.0 μm increased during the winter–spring. The CN concentration was 30–2200 cm−3 near the surface (surface – 500 m and 7–7250 cm−3 in the lower free troposphere (>1500 m. During the austral summer, higher CN concentration was often observed in the lower free troposphere, where the number concentrations in fine and coarse modes were remarkably lower. The frequent appearance of higher CN concentrations in the free troposphere relative to continuous aerosol measurements at the ground strongly suggests that new particle formation is more likely to occur in the lower free troposphere in Antarctic regions. Seasonal variations of size distribution of fine-coarse particles show that the contribution of the coarse mode was greater in the winter–spring than in summer because of the dominance of sea-salt particles in the winter–spring. The number concentrations of fine and coarse particles were high in air masses from the ocean and mid-latitudes. Particularly, aerosol enhancement was observed not only in the boundary layer, but also in the lower free troposphere during and immediately after Antarctic haze events occurring in May, July and September.

  18. Influence of canopy closure and shrub coverage on travel along coarse woody debris by Eastern chipmunks (Tamias striatus)

    Patrick A. Zollner; Kevin J. Crane

    2003-01-01

    We investigated relationships between canopy closure, shrub cover and the use of coarse woody debris as a travel path by eastern chipmunks (Tamias striatus) in the north central United States. Fine scale movements of chipmunks were followed with tracking spools and the percentage of each movement path directly along coarse woody debris was recorded...

  19. Copper extraction from coarsely ground printed circuit boards using moderate thermophilic bacteria in a rotating-drum reactor

    Rodrigues, Michael L.M., E-mail: mitchel.marques@yahoo.com.br [Bio& Hydrometallurgy Laboratory, Department of Metallurgical and Materials Engineering, Universidade Federal de Ouro Preto, Campus Morro do Cruzeiro, Ouro Preto, MG 35400-000 (Brazil); Leão, Versiane A., E-mail: versiane@demet.em.ufop.br [Bio& Hydrometallurgy Laboratory, Department of Metallurgical and Materials Engineering, Universidade Federal de Ouro Preto, Campus Morro do Cruzeiro, Ouro Preto, MG 35400-000 (Brazil); Gomes, Otavio [Centre for Mineral Technology – CETEM, Av Pedro Calmon, 900, 21941-908 Rio de Janeiro (Brazil); Lambert, Fanny; Bastin, David; Gaydardzhiev, Stoyan [Mineral Processing and Recycling, University of Liege, SartTilman, 4000 Liege (Belgium)

    2015-07-15

    Highlights: • Copper bioleaching from PCB (20 mm) by moderate thermophiles was demonstrated. • Larger PCB sheets enable a cost reduction due to the elimination of fine grinding. • Crushing generated cracks in PCB increasing the copper extraction. • A pre-treatment step was necessary to remove the lacquer coating. • High copper extractions (85%) were possible with pulp density of up to 25.0 g/L. - Abstract: The current work reports on a new approach for copper bioleaching from Printed Circuit Board (PCB) by moderate thermophiles in a rotating-drum reactor. Initially leaching of PCB was carried out in shake flasks to assess the effects of particle size (−208 μm + 147 μm), ferrous iron concentration (1.25–10.0 g/L) and pH (1.5–2.5) on copper leaching using mesophile and moderate thermophile microorganisms. Only at a relatively low solid content (10.0 g/L) complete copper extraction was achieved from the particle size investigated. Conversely, high copper extractions were possible from coarse-ground PCB (20 mm-long) working with increased solids concentration (up to 25.0 g/L). Because there was as the faster leaching kinetics at 50 °C Sulfobacillus thermosulfidooxidans was selected for experiments in a rotating-drum reactor with the coarser-sized PCB sheets. Under optimal conditions, copper extraction reached 85%, in 8 days and microscopic observations by SEM–EDS of the on non-leached and leached material suggested that metal dissolution from the internal layers was restricted by the fact that metal surface was not entirely available and accessible for the solution in the case of the 20 mm-size sheets.

  20. Effective potentials from complex simulations: a potential-matching algorithm and remarks on coarse-grained potentials

    Toth, Gergely

    2007-01-01

    The projection of complex interactions onto simple distance-dependent or angle-dependent classical mechanical functions is a long-standing theoretical challenge in the field of computational sciences concerning biomolecules, colloids, aggregates and simple systems as well. The construction of an effective potential may be based on theoretical assumptions, on the application of fitting procedures on experimental data and on the simplification of complex molecular simulations. Recently, a force-matching method was elaborated to project the data of Car-Parrinello ab initio molecular dynamics simulations onto two-particle classical interactions (Izvekov et al 2004 J. Chem. Phys. 120 10896). We have developed a potential-matching algorithm as a practical analogue of this force-matching method. The algorithm requires a large number of configurations (particle positions) and a single value of the potential energy for each configuration. We show the details of the algorithm and the test calculations on simple systems. The test calculation on water showed an example in which a similar structure was obtained for qualitatively different pair interactions. The application of the algorithm on reverse Monte Carlo configurations was tried as well. We detected inconsistencies in a part of our calculations. We found that the coarse graining of potentials cannot be performed perfectly both for the structural and the thermodynamic data. For example, if one applies an inverse method with an input of the pair-correlation function, it provides energetics data for the configurations uniquely. These energetics data can be different from the desired ones obtained by all atom simulations, as occurred in the testing of our potential-matching method

  1. Copper extraction from coarsely ground printed circuit boards using moderate thermophilic bacteria in a rotating-drum reactor

    Rodrigues, Michael L.M.; Leão, Versiane A.; Gomes, Otavio; Lambert, Fanny; Bastin, David; Gaydardzhiev, Stoyan

    2015-01-01

    Highlights: • Copper bioleaching from PCB (20 mm) by moderate thermophiles was demonstrated. • Larger PCB sheets enable a cost reduction due to the elimination of fine grinding. • Crushing generated cracks in PCB increasing the copper extraction. • A pre-treatment step was necessary to remove the lacquer coating. • High copper extractions (85%) were possible with pulp density of up to 25.0 g/L. - Abstract: The current work reports on a new approach for copper bioleaching from Printed Circuit Board (PCB) by moderate thermophiles in a rotating-drum reactor. Initially leaching of PCB was carried out in shake flasks to assess the effects of particle size (−208 μm + 147 μm), ferrous iron concentration (1.25–10.0 g/L) and pH (1.5–2.5) on copper leaching using mesophile and moderate thermophile microorganisms. Only at a relatively low solid content (10.0 g/L) complete copper extraction was achieved from the particle size investigated. Conversely, high copper extractions were possible from coarse-ground PCB (20 mm-long) working with increased solids concentration (up to 25.0 g/L). Because there was as the faster leaching kinetics at 50 °C Sulfobacillus thermosulfidooxidans was selected for experiments in a rotating-drum reactor with the coarser-sized PCB sheets. Under optimal conditions, copper extraction reached 85%, in 8 days and microscopic observations by SEM–EDS of the on non-leached and leached material suggested that metal dissolution from the internal layers was restricted by the fact that metal surface was not entirely available and accessible for the solution in the case of the 20 mm-size sheets

  2. Optimizing the particle size of coal for CWM in view of fluidity. [Biomodal

    Matsuo, Seiji; Nonaka, Michio; Okano, Yasuhiko; Inoue, Toshio

    1987-10-25

    As is well known, the viscosity of CWM is considerably influenced by the distribution of coal particle sizes and has bearing on particle packing density or porosity. A model for representing the viscosity of CWM in terms of particle porosity and specific surface was designed. Also, experimental verification was conducted for the method of optimizing particle size on a two-stage grinding system. The results are as follows: The viscosity of CWM is influenced not only by the porosity of coal particles, but also by the specific surface; also, it is correlated to the distance between suspended particles. At the two-stage grinding experiments, a particle size distribution leading to a low viscosity was obtained by mixing coarse and fine particles at 4:1. This has demonstrated that the use of an agitating mill for fine particles is of help. (11 figs, 2 tabs, 6 refs)

  3. Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method

    Deichmann, Gregor; Marcon, Valentina; Vegt, Nico F. A. van der

    2014-01-01

    Molecular simulations of soft matter systems have been performed in recent years using a variety of systematically coarse-grained models. With these models, structural or thermodynamic properties can be quite accurately represented while the prediction of dynamic properties remains difficult, especially for multi-component systems. In this work, we use constraint molecular dynamics simulations for calculating dissipative pair forces which are used together with conditional reversible work (CRW) conservative forces in dissipative particle dynamics (DPD) simulations. The combined CRW-DPD approach aims to extend the representability of CRW models to dynamic properties and uses a bottom-up approach. Dissipative pair forces are derived from fluctuations of the direct atomistic forces between mapped groups. The conservative CRW potential is obtained from a similar series of constraint dynamics simulations and represents the reversible work performed to couple the direct atomistic interactions between the mapped atom groups. Neopentane, tetrachloromethane, cyclohexane, and n-hexane have been considered as model systems. These molecular liquids are simulated with atomistic molecular dynamics, coarse-grained molecular dynamics, and DPD. We find that the CRW-DPD models reproduce the liquid structure and diffusive dynamics of the liquid systems in reasonable agreement with the atomistic models when using single-site mapping schemes with beads containing five or six heavy atoms. For a two-site representation of n-hexane (3 carbons per bead), time scale separation can no longer be assumed and the DPD approach consequently fails to reproduce the atomistic dynamics

  4. Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method

    Deichmann, Gregor; Marcon, Valentina; Vegt, Nico F. A. van der, E-mail: vandervegt@csi.tu-darmstadt.de [Center of Smart Interfaces, Technische Universität Darmstadt, Alarich-Weiss-Straße 10, 64287 Darmstadt (Germany)

    2014-12-14

    Molecular simulations of soft matter systems have been performed in recent years using a variety of systematically coarse-grained models. With these models, structural or thermodynamic properties can be quite accurately represented while the prediction of dynamic properties remains difficult, especially for multi-component systems. In this work, we use constraint molecular dynamics simulations for calculating dissipative pair forces which are used together with conditional reversible work (CRW) conservative forces in dissipative particle dynamics (DPD) simulations. The combined CRW-DPD approach aims to extend the representability of CRW models to dynamic properties and uses a bottom-up approach. Dissipative pair forces are derived from fluctuations of the direct atomistic forces between mapped groups. The conservative CRW potential is obtained from a similar series of constraint dynamics simulations and represents the reversible work performed to couple the direct atomistic interactions between the mapped atom groups. Neopentane, tetrachloromethane, cyclohexane, and n-hexane have been considered as model systems. These molecular liquids are simulated with atomistic molecular dynamics, coarse-grained molecular dynamics, and DPD. We find that the CRW-DPD models reproduce the liquid structure and diffusive dynamics of the liquid systems in reasonable agreement with the atomistic models when using single-site mapping schemes with beads containing five or six heavy atoms. For a two-site representation of n-hexane (3 carbons per bead), time scale separation can no longer be assumed and the DPD approach consequently fails to reproduce the atomistic dynamics.

  5. A Tri-modal 2024 Al -B4C composites with super-high strength and ductility: Effect of coarse-grained aluminum fraction on mechanical behavior

    Alireza Abdollahi

    2014-12-01

    Full Text Available In this study, ultrafine grained 2024 Al alloy based B4C particles reinforced composite was produced by mechanical milling and hot extrusion. Mechanical milling was used to synthesize the nanostructured Al2024 in attrition mill under argon atmosphere up to 50h. A similar process was used to produce Al2024-5%wt. B4C composite powder. To produce trimodal composites, milled powders were combined with coarse grained aluminum in 30 and 50 wt% and then were exposed to hot extrusion at 570°C. The microstructure of hot extruded samples were studied by optical microscope, Transmission electron microscope (TEM and scanning electron microscope (SEM equipped with EDS spectroscopy. The mechanical properties of samples were compared by using tensile, compression and hardness tests. The results showed that the strength, after 50 h milling and addition of 5wt% B4C, increased from 340 to 582 MPa and the hardness increased from 87 HBN to 173 HBN, but the elongation decreased from 14 to 0.5%. By adding the coarse-grained aluminum powder, the strength and hardness decreased slightly, but the increases in return. Ductility increase is the result of increase in dislocation movements and strength increase is the result of restriction in plastic deformation by nanostructured regions. Furthermore, the strength and hardness of trimodal composites were higher, but their ductility was lower.

  6. The influence of clay particles on the hydraulic conductivity of sandy soils

    Fahmy, M.I.

    1961-01-01

    The relation between hydraulic conductivity and size of the sand particles and clay content was investigated in artificial mixtures of sand and clay and in natural soils, in four different ways in the laboratory and field.

    In the artificial mixtures coarse aggregates of illitic clay hardly

  7. Feature of Dust Particles in the Spring Free Troposphere over Dunhuang in Northwestern China: Electron Microscopic Experiments on Individual Particles Collected with a Balloon-borne Impactor

    Yamada, M.; Iwasaka, Y.; Matsuki, A.; Trochkine, D.; Kim, Y. S.; Zhang, D.; Nagatani, T.; Shi, G.-Y.; Nagatani, M.; Nakata, H.; Shen, Z.; Chen, B.; Li, G.

    2005-01-01

    Free tropospheric aerosol particles were collected using a balloon-borne particle impactor in August of 2002 and March of 2003 at Dunhuang in northwestern China (40 o 00'N, 94 o 30'E), and the morphology and elemental composition of the aerosol particles were analyzed in order to understand the mixing state of coarse dust particles (diameter >1 μm) over the desert areas in the Asian continent in spring. Electron microscopic experiments on the particles revealed that dust particles were major constituents of coarse mode particles in the free troposphere over the Taklamakan Desert in spring and summer.Si-rich or Ca-rich particles are major components of dust particles collected in the free troposphere over dunhuang and the values of [number of Ca-rich particles]/[number of Si-rich particles] differs markedly between spring and summer, being about 0.3 in the spring of 2003 and about 1.0 in the summer of 2002 at heights 3-5 km above sea level. It is likely that the condition of the ground surface and the strength of vertical mixing in source areas of Asian dust are potential factors causing the difference in the chemical types of dust particles.Comparison of the elemental compositions of these particles with those of particles collected over Japan strongly suggests that these particles were chemically modified during their long-range transport in the free troposphere. Analysis of wind systems shows that both the predominating westerly wind in the free troposphere and the surface wind strongly controlled by the geographical structure of the Tarim Basin are important in the long-range transport of KOSA particles originating in the Taklamakan Desert

  8. Small-scale variability of particulate matter and perception of air quality in an inner-city recreational area in Aachen, Germany

    Bastian Paas

    2016-06-01

    Full Text Available Spatial micro-scale variability of particle mass concentrations is an important criterion for urban air quality assessment. In this study we present results from detailed spatio-temporal measurements in the urban roughness layer along with a survey to determine perceptions of citizens regarding air quality in an inner city park in Aachen, Germany. Particles were sampled with two different approaches in February, May, July and September 2014 using an optical particle counter at six fixed measurement locations, representing different degrees of outdoor particle exposure that can be experienced by a pedestrian walking in an intra-urban recreational area. A simulation of aerosol emissions induced by road traffic was conducted using the German reference dispersion model Austal2000. The mobile measurements revealed unexpected details in the distribution of urban particles with highest mean concentrations of PM(1;10$\\text{PM}_{(1;10}$ inside the green area 100 m away from bus routes (arithmetic mean: 22.5 μg m−3 and 18.9 μg m−3; geometric mean: 9.3 μg m−3 and 6.5 μg m−3, whereas measurement sites in close proximity to traffic lines showed far lower mean values (arithmetic mean: 7.5 μg m−3 and 8.7 μg m−3; geometric mean: 5.8 μg m−3 and 6.5 μg m−3. Concerning simulation results, motor traffic is still proved to be an important aerosol source in the area, although the corresponding concentrations declined rapidly as the distances to the line sources increased. Further analysis leads to the assumption that particularly coarse particles were emitted through diffuse sources e.g. on the ability of surfaces to release particles by resuspension which were dominantly apparent in measured PM(1;10$\\text{PM}_{(1;10}$ and PM(0.25;10$\\text{PM}_{(0.25;10}$ data. The contribution of diffuse particle sources and urban background transport to local PM(0.25;10$\\text{PM}_{(0.25;10}$ concentrations inside the

  9. Active particles

    Degond, Pierre; Tadmor, Eitan

    2017-01-01

    This volume collects ten surveys on the modeling, simulation, and applications of active particles using methods ranging from mathematical kinetic theory to nonequilibrium statistical mechanics. The contributing authors are leading experts working in this challenging field, and each of their chapters provides a review of the most recent results in their areas and looks ahead to future research directions. The approaches to studying active matter are presented here from many different perspectives, such as individual-based models, evolutionary games, Brownian motion, and continuum theories, as well as various combinations of these. Applications covered include biological network formation and network theory; opinion formation and social systems; control theory of sparse systems; theory and applications of mean field games; population learning; dynamics of flocking systems; vehicular traffic flow; and stochastic particles and mean field approximation. Mathematicians and other members of the scientific commu...

  10. Hot particles

    Merwin, S.E.; Moeller, M.P.

    1989-01-01

    Nuclear Regulatory Commission (NRC) licensees are required to assess the dose to skin from a hot particle contamination event at a depth of skin of7mg/cm 2 over an area of 1 cm 2 and compare the value to the current dose limit for the skin. Although the resulting number is interesting from a comparative standpoint and can be used to predict local skin reactions, comparison of the number to existing limits based on uniform exposures is inappropriate. Most incidents that can be classified as overexposures based on this interpretation of dose actually have no effect on the health of the worker. As a result, resources are expended to reduce the likelihood that an overexposure event will occur when they could be directed toward eliminating the cause of the problem or enhancing existing programs such as contamination control. Furthermore, from a risk standpoint, this practice is not ALARA because some workers receive whole body doses in order to minimize the occurrence of hot particle skin contaminations. In this paper the authors suggest an alternative approach to controlling hot particle exposures

  11. Stable solutions of a scalar conservation law for particle-size segregation in dense granular avalanches

    Shearer, M.; Gray, J. M N T; Thornton, A. R.

    2008-01-01

    Dense, dry granular avalanches are very efficient at sorting the larger particles towards the free surface of the flow, and finer grains towards the base, through the combined processes of kinetic sieving and squeeze expulsion. This generates an inversely graded particle-size distribution, which is fundamental to a variety of pattern formation mechanisms, as well as subtle size-mobility feedback effects, leading to the formation of coarse-grained lateral levees that create channels in geophys...

  12. Effect of tungsten metal particle sizes on the solubility of molten alloy melt: Experimental observation of Gibbs-Thomson effect in nanocomposites

    Lee, M. H.; Das, J.; Sordelet, D. J.; Eckert, J.; Hurd, A. J.

    2012-09-01

    We investigated the effect of tungsten particle sizes on the thermal stability and reactivity of uniformly dispersed W particles in molten Hf-based alloy melt at elevated temperature (1673 K). The solubility of particles less than 100 nm in radius is significantly enhanced. In case of fine W particles with 20 nm diameter, their solubility increases remarkably around 700% compared to that of coarse micrometer-scale particles. The mechanisms and kinetics of this dynamic growth of particle are discussed as well as techniques developed to obtain frozen microstructure of particle-reinforced composites by rapid solidification.

  13. Temporal variations of fine and coarse particulate matter sources in Jeddah, Saudi Arabia.

    Lim, Chris C; Thurston, George D; Shamy, Magdy; Alghamdi, Mansour; Khoder, Mamdouh; Mohorjy, Abdullah M; Alkhalaf, Abdulrahman K; Brocato, Jason; Chen, Lung Chi; Costa, Max

    2018-02-01

    This study provides the first comprehensive analysis of the seasonal variations and weekday/weekend differences in fine (aerodynamic diameter Saudi Arabia. Air quality samples were collected over 1 yr, from June 2011 to May 2012 at a frequency of three times per week, and analyzed. The average mass concentrations of PM 2.5 (21.9 μg/m 3 ) and PM 10 (107.8 μg/m 3 ) during the sampling period exceeded the recommended annual average levels by the World Health Organization (WHO) for PM 2.5 (10 μg/m 3 ) and PM 10 (20 μg/m 3 ), respectively. Similar to other Middle Eastern locales, PM 2.5-10 is the prevailing mass component of atmospheric particulate matter at Jeddah, accounting for approximately 80% of the PM 10 mass. Considerations of enrichment factors, absolute principal component analysis (APCA), concentration roses, and backward trajectories identified the following source categories for both PM 2.5 and PM 2.5-10 : (1) soil/road dust, (2) incineration, and (3) traffic; and for PM 2.5 only, (4) residual oil burning. Soil/road dust accounted for a major portion of both the PM 2.5 (27%) and PM 2.5-10 (77%) mass, and the largest source contributor for PM 2.5 was from residual oil burning (63%). Temporal variations of PM 2.5-10 and PM 2.5 were observed, with the elevated concentration levels observed for mass during the spring (due to increased dust storm frequency) and on weekdays (due to increased traffic). The predominant role of windblown soil and road dust in both the PM 2.5 and PM 2.5-10 masses in this city may have implications regarding the toxicity of these particles versus those in the Western world where most PM health assessments have been made in the past. These results support the need for region-specific epidemiological investigations to be conducted and considered in future PM standard setting. Temporal variations of fine and coarse PM mass, elemental constituents, and sources were examined in Jeddah, Saudi Arabia, for the first time. The main source

  14. When are active Brownian particles and run-and-tumble particles equivalent? Consequences for motility-induced phase separation

    Cates, M. E.; Tailleur, J.

    2012-01-01

    Active Brownian particles (ABPs, such as self-phoretic colloids) swim at fixed speed $v$ along a body-axis ${\\bf u}$ that rotates by slow angular diffusion. Run-and-tumble particles (RTPs, such as motile bacteria) swim with constant $\\u$ until a random tumble event suddenly decorrelates the orientation. We show that when the motility parameters depend on density $\\rho$ but not on ${\\bf u}$, the coarse-grained fluctuating hydrodynamics of interacting ABPs and RTPs can be mapped onto each other...

  15. Coarse-mesh method for multidimensional, mixed-lattice diffusion calculations

    Dodds, H.L. Jr.; Honeck, H.C.; Hostetler, D.E.

    1977-01-01

    A coarse-mesh finite difference method has been developed for multidimensional, mixed-lattice reactor diffusion calculations, both statics and kinetics, in hexagonal geometry. Results obtained with the coarse-mesh (CM) method have been compared with a conventional mesh-centered finite difference method and with experiment. The results of this comparison indicate that the accuracy of the CM method for highly heterogeneous (mixed) lattices using one point per hexagonal mesh element (''hex'') is about the same as the conventional method with six points per hex. Furthermore, the computing costs (i.e., central processor unit time and core storage requirements) of the CM method with one point per hex are about the same as the conventional method with one point per hex

  16. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates

    Siringi, Gideon; Abolmaali, Ali; Aswath, Pranesh B.

    2015-01-01

    Tire derived aggregate (TDA) has been proposed as a possible lightweight replacement for mineral aggregate in concrete. The role played by the amount of TDA replacing coarse aggregate as well as different treatment and additives in concrete on its properties is examined. Conventional concrete (without TDA) and concrete containing TDA are compared by examining their compressive strength based on ASTM C39, workability based on ASTM C143, splitting tensile strength based on ASTM C496, modulus of rupture (flexural strength) based on ASTM C78, and bond stress based on ASTM C234. Results indicate that while replacement of coarse aggregates with TDA results in reduction in strength, it may be mitigated with addition of silica fume to obtain the desired strength. The greatest benefit of using TDA is in the development of a higher ductile product while utilizing recycled TDA. PMID:26161440

  17. Making coarse grained polymer simulations quantitatively predictive for statics and dynamics

    Kremer, Kurt

    2010-03-01

    By combining input from short simulation runs of rather small systems with all atomistic details together with properly adapted coarse grained models we are able quantitatively predict static and especially dynamical properties of both pure polymer melts of long fully entangled but also of systems with low molecular weight additives. Comparisons to rather different experiments such as diffusion constant measurements or NMR relaxation experiments show a remarkable quantitative agreement without any adjustable parameter. Reintroduction of chemical details into the coarse grained trajectories allows the study of long time trajectories in all atomistic detail providing the opportunity for rather different means of data analysis. References: V. Harmandaris, K. Kremer, Macromolecules, in press (2009) V. Harmandaris et al, Macromolecules, 40, 7026 (2007) B. Hess, S. Leon, N. van der Vegt, K. Kremer, Soft Matter 2, 409 (2006) D. Fritz et al, Soft Matter 5, 4556 (2009)

  18. Effect of cooling rates on the weld heat affected zone coarse grain microstructure

    Roman Celin

    2018-04-01

    Full Text Available The effect of a cooling rate on the S690Q quenched and tempered steel welded joint coarse grain heat affected zone microstructure was investigated using a dilatometer with controlled heating and cooling fixture. Steel samples were heated to a peak temperature of 1350 °C and cooled at the different cooling time Dt8/5. A dilatometric analysis and hardness measurements of the simulated thermal cycle coarse grain samples were done. Transformation start and finish temperature were determined using dilatation vs. temperature data analysis. The microstructure of the sample with a cooling time 5 s consists of martensite, whereas at cooling time 80 s a bainitic microstructure was observed. The investigated steel cooling cycle using simulation approach makes possible to determine the range of an optimum CG HAZ cooling time for the welding.

  19. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates.

    Siringi, Gideon; Abolmaali, Ali; Aswath, Pranesh B

    2015-01-01

    Tire derived aggregate (TDA) has been proposed as a possible lightweight replacement for mineral aggregate in concrete. The role played by the amount of TDA replacing coarse aggregate as well as different treatment and additives in concrete on its properties is examined. Conventional concrete (without TDA) and concrete containing TDA are compared by examining their compressive strength based on ASTM C39, workability based on ASTM C143, splitting tensile strength based on ASTM C496, modulus of rupture (flexural strength) based on ASTM C78, and bond stress based on ASTM C234. Results indicate that while replacement of coarse aggregates with TDA results in reduction in strength, it may be mitigated with addition of silica fume to obtain the desired strength. The greatest benefit of using TDA is in the development of a higher ductile product while utilizing recycled TDA.

  20. Moving beyond Watson-Crick models of coarse grained DNA dynamics.

    Linak, Margaret C; Tourdot, Richard; Dorfman, Kevin D

    2011-11-28

    DNA produces a wide range of structures in addition to the canonical B-form of double-stranded DNA. Some of these structures are stabilized by Hoogsteen bonds. We developed an experimentally parameterized, coarse-grained model that incorporates such bonds. The model reproduces many of the microscopic features of double-stranded DNA and captures the experimental melting curves for a number of short DNA hairpins, even when the open state forms complicated secondary structures. We demonstrate the utility of the model by simulating the folding of a thrombin aptamer, which contains G-quartets, and strand invasion during triplex formation. Our results highlight the importance of including Hoogsteen bonding in coarse-grained models of DNA.

  1. MT-ADRES: multi-threading on coarse-grained reconfigurable architecture

    Wu, Kehuai; Kanstein, Andreas; Madsen, Jan

    2008-01-01

    The coarse-grained reconfigurable architecture ADRES (architecture for dynamically reconfigurable embedded systems) and its compiler offer high instruction-level parallelism (ILP) to applications by means of a sparsely interconnected array of functional units and register files. As high-ILP archi......The coarse-grained reconfigurable architecture ADRES (architecture for dynamically reconfigurable embedded systems) and its compiler offer high instruction-level parallelism (ILP) to applications by means of a sparsely interconnected array of functional units and register files. As high......-ILP architectures achieve only low parallelism when executing partially sequential code segments, which is also known as Amdahl's law, this article proposes to extend ADRES to MT-ADRES (multi-threaded ADRES) to also exploit thread-level parallelism. On MT-ADRES architectures, the array can be partitioned...

  2. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates

    Gideon Siringi

    2015-01-01

    Full Text Available Tire derived aggregate (TDA has been proposed as a possible lightweight replacement for mineral aggregate in concrete. The role played by the amount of TDA replacing coarse aggregate as well as different treatment and additives in concrete on its properties is examined. Conventional concrete (without TDA and concrete containing TDA are compared by examining their compressive strength based on ASTM C39, workability based on ASTM C143, splitting tensile strength based on ASTM C496, modulus of rupture (flexural strength based on ASTM C78, and bond stress based on ASTM C234. Results indicate that while replacement of coarse aggregates with TDA results in reduction in strength, it may be mitigated with addition of silica fume to obtain the desired strength. The greatest benefit of using TDA is in the development of a higher ductile product while utilizing recycled TDA.

  3. Linear mixing model applied to coarse spatial resolution data from multispectral satellite sensors

    Holben, Brent N.; Shimabukuro, Yosio E.

    1993-01-01

    A linear mixing model was applied to coarse spatial resolution data from the NOAA Advanced Very High Resolution Radiometer. The reflective component of the 3.55-3.95 micron channel was used with the two reflective channels 0.58-0.68 micron and 0.725-1.1 micron to run a constrained least squares model to generate fraction images for an area in the west central region of Brazil. The fraction images were compared with an unsupervised classification derived from Landsat TM data acquired on the same day. The relationship between the fraction images and normalized difference vegetation index images show the potential of the unmixing techniques when using coarse spatial resolution data for global studies.

  4. Coarse mesh finite element method for boiling water reactor physics analysis

    Ellison, P.G.

    1983-01-01

    A coarse mesh method is formulated for the solution of Boiling Water Reactor physics problems using two group diffusion theory. No fuel assembly cross-section homogenization is required; water gaps, control blades and fuel pins of varying enrichments are treated explicitly. The method combines constrained finite element discretization with infinite lattice super cell trial functions to obtain coarse mesh solutions for which the only approximations are along the boundaries between fuel assemblies. The method is applied to bench mark Boiling Water Reactor problems to obtain both the eigenvalue and detailed flux distributions. The solutions to these problems indicate the method is useful in predicting detailed power distributions and eigenvalues for Boiling Water Reactor physics problems

  5. Optimization of droplets for UV-NIL using coarse-grain simulation of resist flow

    Sirotkin, Vadim; Svintsov, Alexander; Zaitsev, Sergey

    2009-03-01

    A mathematical model and numerical method are described, which make it possible to simulate ultraviolet ("step and flash") nanoimprint lithography (UV-NIL) process adequately even using standard Personal Computers. The model is derived from 3D Navier-Stokes equations with the understanding that the resist motion is largely directed along the substrate surface and characterized by ultra-low values of the Reynolds number. By the numerical approximation of the model, a special finite difference method is applied (a coarse-grain method). A coarse-grain modeling tool for detailed analysis of resist spreading in UV-NIL at the structure-scale level is tested. The obtained results demonstrate the high ability of the tool to calculate optimal dispensing for given stamp design and process parameters. This dispensing provides uniform filled areas and a homogeneous residual layer thickness in UV-NIL.

  6. Classical density functional theory & simulations on a coarse-grained model of aromatic ionic liquids.

    Turesson, Martin; Szparaga, Ryan; Ma, Ke; Woodward, Clifford E; Forsman, Jan

    2014-05-14

    A new classical density functional approach is developed to accurately treat a coarse-grained model of room temperature aromatic ionic liquids. Our major innovation is the introduction of charge-charge correlations, which are treated in a simple phenomenological way. We test this theory on a generic coarse-grained model for aromatic RTILs with oligomeric forms for both cations and anions, approximating 1-alkyl-3-methyl imidazoliums and BF₄⁻, respectively. We find that predictions by the new density functional theory for fluid structures at charged surfaces are very accurate, as compared with molecular dynamics simulations, across a range of surface charge densities and lengths of the alkyl chain. Predictions of interactions between charged surfaces are also presented.

  7. Dynamic coarse-graining fills the gap between atomistic simulations and experimental investigations of mechanical unfolding

    Knoch, Fabian; Schäfer, Ken; Diezemann, Gregor; Speck, Thomas

    2018-01-01

    We present a dynamic coarse-graining technique that allows one to simulate the mechanical unfolding of biomolecules or molecular complexes on experimentally relevant time scales. It is based on Markov state models (MSMs), which we construct from molecular dynamics simulations using the pulling coordinate as an order parameter. We obtain a sequence of MSMs as a function of the discretized pulling coordinate, and the pulling process is modeled by switching among the MSMs according to the protocol applied to unfold the complex. This way we cover seven orders of magnitude in pulling speed. In the region of rapid pulling, we additionally perform steered molecular dynamics simulations and find excellent agreement between the results of the fully atomistic and the dynamically coarse-grained simulations. Our technique allows the determination of the rates of mechanical unfolding in a dynamical range from approximately 10-8/ns to 1/ns thus reaching experimentally accessible time regimes without abandoning atomistic resolution.

  8. Multiblob coarse-graining for mixtures of long polymers and soft colloids

    Locatelli, Emanuele; Capone, Barbara; Likos, Christos N.

    2016-11-01

    Soft nanocomposites represent both a theoretical and an experimental challenge due to the high number of the microscopic constituents that strongly influence the behaviour of the systems. An effective theoretical description of such systems invokes a reduction of the degrees of freedom to be analysed, hence requiring the introduction of an efficient, quantitative, coarse-grained description. We here report on a novel coarse graining approach based on a set of transferable potentials that quantitatively reproduces properties of mixtures of linear and star-shaped homopolymeric nanocomposites. By renormalizing groups of monomers into a single effective potential between a f-functional star polymer and an homopolymer of length N0, and through a scaling argument, it will be shown how a substantial reduction of the to degrees of freedom allows for a full quantitative description of the system. Our methodology is tested upon full monomer simulations for systems of different molecular weight, proving its full predictive potential.

  9. Pore-size distribution and compressibility of coarse sandy subsoil with added biochar

    Petersen, C. T.; Hansen, E.; Larsen, H. H.

    2016-01-01

    Sustainable agricultural production on coarse sandy soil is constrained by the restricted growth of roots, and poor water and nutrient retention. Amending the soil with biochar can reduce these problems, but the processes involved are not known in detail. We investigated in the laboratory...... the effects of two fine-grained gasification biochars made of straw (LTST) and other materials (LTSN) and of one fast pyrolysis straw biochar (FPST) on pore-size distribution and soil compressibility when added to coarse sandy subsoil. Water retention and therefore pore-size distribution were affected...... systematically. All biochars converted drainable pore space with pore diameters in the range 60–300 µm into water-retaining pores of size 0.2–60 µm, which was taken as an estimate of available water capacity (AWC). Effects were linear over the whole range of biochar (0–4% by mass). The effect of LTST and LTSN...

  10. Formation of incoherent deformation twin boundaries in a coarse-grained Al-7Mg alloy

    Jin, S. B.; Zhang, K.; Bjørge, R.; Tao, N. R.; Marthinsen, K.; Lu, K.; Li, Y. J.

    2015-08-01

    Deformation twinning has rarely been observed in coarse grained Al and its alloys except under some extreme conditions such as ultrahigh deformation strain or strain rates. Here, we report that a significant amount of Σ3 deformation twins could be generated in a coarse-grained Al-7 Mg alloy by dynamic plastic deformation (DPD). A systematic investigation of the Σ3 boundaries shows that they are Σ3{112} type incoherent twin boundaries (ITBs). These ITBs have formed by gradual evolution from copious low-angle deformation bands through -twist Σ boundaries by lattice rotation. These findings provide an approach to generate deformation twin boundaries in high stacking fault energy metallic alloys. It is suggested that high solution content of Mg in the alloy and the special deformation mode of DPD played an important role in formation of the Σ and ITBs.

  11. Analysis of coarse aggregate performance based on the modified Micro Deval abrasion test

    Jiangfeng Wu

    2018-03-01

    Full Text Available The anti-abrasion property of aggregate significantly affects the performance of the pavement. In this research, the quartzite and gneiss which were produced in Lincheng County, Xingtai City, Hebei Province were selected as test samples. According to the American Society for Testing and Materials standard, the Micro-Deval abrasion test was taken every 1000 rotation times until 20,000 times, and the change trend of the Micro-Deval abrasion value was obtained. Results showed that the abrasion values were in the exponential growth rate rather than linear rate. Their R-Square coefficient was 0.99142 and 0.99916 respectively. The gravel information such as area, roundness, diameter, perimeter and so on were calculated and analyzed by Image-Pro Plus software, which provided a rapid way for the 2D morphology characteristics analysis of the coarse aggregate. Keywords: Micro-Deval abrasion test, Coarse aggregate, Anti-abrasion property, Abrasion values

  12. Premelting, fluctuations, and coarse-graining of water-ice interfaces

    Limmer, David T., E-mail: dlimmer@princeton.edu [Princeton Center for Theoretical Science, Princeton University, Princeton, New Jersey 08540 (United States); Chandler, David [Department of Chemistry, University of California, Berkeley, California 94609 (United States)

    2014-11-14

    Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar order parameter field is discussed, which provides a convenient representation of the interface between locally crystal-like and locally liquid-like regions. A number of interfacial properties are straightforwardly evaluated using this procedure such as the average premelting thickness and surface tension. The temperature and system size dependence of the premelting layer thickness calculated in this way confirms the characteristic logarithmic growth expected for the scalar field theory that the system is mapped onto through coarse-graining, though remains finite due to long-ranged interactions. Finally, from explicit simulations the existence of a premelting layer is shown to be insensitive to bulk lattice geometry, exposed crystal face, and curvature.

  13. Premelting, fluctuations, and coarse-graining of water-ice interfaces

    Limmer, David T.; Chandler, David

    2014-11-01

    Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar order parameter field is discussed, which provides a convenient representation of the interface between locally crystal-like and locally liquid-like regions. A number of interfacial properties are straightforwardly evaluated using this procedure such as the average premelting thickness and surface tension. The temperature and system size dependence of the premelting layer thickness calculated in this way confirms the characteristic logarithmic growth expected for the scalar field theory that the system is mapped onto through coarse-graining, though remains finite due to long-ranged interactions. Finally, from explicit simulations the existence of a premelting layer is shown to be insensitive to bulk lattice geometry, exposed crystal face, and curvature.

  14. Premelting, fluctuations, and coarse-graining of water-ice interfaces

    Limmer, David T.; Chandler, David

    2014-01-01

    Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar order parameter field is discussed, which provides a convenient representation of the interface between locally crystal-like and locally liquid-like regions. A number of interfacial properties are straightforwardly evaluated using this procedure such as the average premelting thickness and surface tension. The temperature and system size dependence of the premelting layer thickness calculated in this way confirms the characteristic logarithmic growth expected for the scalar field theory that the system is mapped onto through coarse-graining, though remains finite due to long-ranged interactions. Finally, from explicit simulations the existence of a premelting layer is shown to be insensitive to bulk lattice geometry, exposed crystal face, and curvature

  15. Premelting, fluctuations, and coarse-graining of water-ice interfaces.

    Limmer, David T; Chandler, David

    2014-11-14

    Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar order parameter field is discussed, which provides a convenient representation of the interface between locally crystal-like and locally liquid-like regions. A number of interfacial properties are straightforwardly evaluated using this procedure such as the average premelting thickness and surface tension. The temperature and system size dependence of the premelting layer thickness calculated in this way confirms the characteristic logarithmic growth expected for the scalar field theory that the system is mapped onto through coarse-graining, though remains finite due to long-ranged interactions. Finally, from explicit simulations the existence of a premelting layer is shown to be insensitive to bulk lattice geometry, exposed crystal face, and curvature.

  16. Controls on coarse wood decay in temperate tree species: birth of the LOGLIFE experiment.

    Cornelissen, Johannes H C; Sass-Klaassen, Ute; Poorter, Lourens; van Geffen, Koert; van Logtestijn, Richard S P; van Hal, Jurgen; Goudzwaard, Leo; Sterck, Frank J; Klaassen, René K W M; Freschet, Grégoire T; van der Wal, Annemieke; Eshuis, Henk; Zuo, Juan; de Boer, Wietse; Lamers, Teun; Weemstra, Monique; Cretin, Vincent; Martin, Rozan; Ouden, Jan den; Berg, Matty P; Aerts, Rien; Mohren, Godefridus M J; Hefting, Mariet M

    2012-01-01

    Dead wood provides a huge terrestrial carbon stock and a habitat to wide-ranging organisms during its decay. Our brief review highlights that, in order to understand environmental change impacts on these functions, we need to quantify the contributions of different interacting biotic and abiotic drivers to wood decomposition. LOGLIFE is a new long-term 'common-garden' experiment to disentangle the effects of species' wood traits and site-related environmental drivers on wood decomposition dynamics and its associated diversity of microbial and invertebrate communities. This experiment is firmly rooted in pioneering experiments under the directorship of Terry Callaghan at Abisko Research Station, Sweden. LOGLIFE features two contrasting forest sites in the Netherlands, each hosting a similar set of coarse logs and branches of 10 tree species. LOGLIFE welcomes other researchers to test further questions concerning coarse wood decay that will also help to optimise forest management in view of carbon sequestration and biodiversity conservation.

  17. Remediating Contaminant Plumes in Groundwater with Shallow Excavations Containing Coarse Reactive Media.

    Hudak, Paul F

    2018-02-01

    A groundwater flow and mass transport model tested the capability of shallow excavations filled with coarse, reactive media to remediate a hypothetical unconfined aquifer with a maximum saturated thickness of 5 m. Modeled as contaminant sinks, the rectangular excavations were 10 m downgradient of an initial contaminant plume originating from a source at the top of the aquifer. The initial plume was approximately 259 m long, 23 m wide, and 5 m thick, with a downgradient tip located approximately 100 m upgradient of the site boundary. The smallest trench capable of preventing offsite migration was 11 m long (measured perpendicular to groundwater flow), 4 m wide (measured parallel to groundwater flow), and 3 m deep. Results of this study suggest that shallow trenches filled with coarse filter media that partially penetrate unconfined aquifers may be a viable alternative for remediating contaminated groundwater at some sites.

  18. On the Accelerated Settling of Fine Particles in a Bidisperse Slurry

    Leonid L. Minkov

    2015-01-01

    Full Text Available An estimation of increasing the volume average sedimentation velocity of fine particles in bidisperse suspension due to their capturing in the circulation zone formed in the laminar flow of incompressible viscous fluid around the spherical coarse particle is proposed. The estimation is important for an explanation of the nonmonotonic shape of the separation curve observed for hydrocyclones. The volume average sedimentation velocity is evaluated on the basis of a cellular model. The characteristic dimensions of the circulation zone are obtained on the basis of a numerical solution of Navier-Stokes equations. Furthermore, these calculations are used for modelling the fast sedimentation of fine particles during their cosedimentation in bidisperse suspension. It was found that the acceleration of sedimentation of fine particles is determined by the concentration of coarse particles in bidisperse suspension, and the sedimentation velocity of fine fraction is proportional to the square of the coarse and fine particle diameter ratio. The limitations of the proposed model are ascertained.

  19. Texture coarseness responsive neurons and their mapping in layer 2–3 of the rat barrel cortex in vivo

    Garion, Liora; Dubin, Uri; Rubin, Yoav; Khateb, Mohamed; Schiller, Yitzhak; Azouz, Rony; Schiller, Jackie

    2014-01-01

    Texture discrimination is a fundamental function of somatosensory systems, yet the manner by which texture is coded and spatially represented in the barrel cortex are largely unknown. Using in vivo two-photon calcium imaging in the rat barrel cortex during artificial whisking against different surface coarseness or controlled passive whisker vibrations simulating different coarseness, we show that layer 2–3 neurons within barrel boundaries differentially respond to specific texture coarsenesses, while only a minority of neurons responded monotonically with increased or decreased surface coarseness. Neurons with similar preferred texture coarseness were spatially clustered. Multi-contact single unit recordings showed a vertical columnar organization of texture coarseness preference in layer 2–3. These findings indicate that layer 2–3 neurons perform high hierarchical processing of tactile information, with surface coarseness embodied by distinct neuronal subpopulations that are spatially mapped onto the barrel cortex. DOI: http://dx.doi.org/10.7554/eLife.03405.001 PMID:25233151

  20. A study of coarse mesh collision probability correction factors in slab lattices

    Buckler, A.N.

    1975-07-01

    Calculations of collision probability leakage estimates are performed in one dimensional slab geometry with one neutron group to gain some insight into methods of correction for the coarseness of the mesh H. The chief result is that the correction factor, beta, can be written as CD/H where C → 4 for the diffusion limit. An explicit expression for C is derived in terms of the E 3 function, for a linear flux variation across the slabs. (author)

  1. Adhesion between a rutile surface and a polyimide: a coarse grained molecular dynamics study

    Kumar, Arun; Sudarkodi, V.; Parandekar, Priya V.; Sinha, Nishant K.; Prakash, Om; Nair, Nisanth N.; Basu, Sumit

    2018-04-01

    Titanium, due to its high strength to weight ratio and polyimides, due to their excellent thermal stability are being increasingly used in aerospace applications. We investigate the bonding between a (110) rutile substrate and a popular commercial polyimide, PMR-15, starting from the known atomic structure of the rutile substrate and the architecture of the polymer. First, the long PMR-15 molecule is divided into four fragments and an all-atom non-bonded forcefield governing the interaction between PMR-15 and a rutile substrate is developed. To this end, parameters of Buckingham potential for interaction between each atom in the fragments and the rutile surface are fitted, so as to ensure that the sum of non-bonded and electrostatic interaction energy between the substrate and a large number of configurations of each fragment, calculated by the quantum mechanical route and obtained from the fitted potential, is closely matched. Further, two coarse grained models of PMR-15 are developed—one for interaction between two coarse grained PMR-15 molecules and another for that between a coarse grained PMR-15 and the rutile substrate. Molecular dynamics simulations with the coarse grained models yields a traction separation law—a very useful tool for conducting continuum level finite element simulations of rutile-PMR-15 joints—governing the normal separation of a PMR-15 block from a flat rutile substrate. Moreover, detailed information about the affinity of various fragments to the substrate are also obtained. In fact, though the separation energy between rutile and PMR-15 turns out to be rather low, our analysis—with merely the molecular architecture of the polyimide as the starting point—provides a scheme for in-silico prediction of adhesion energies for new polyimide formulations.

  2. A coarse grained description of time evolution: Irreversible state reduction and time-energy relation

    Bonifacio, R.; Milan Univ.

    1983-05-01

    We show that a proper coarse-grained description of time evolution leads to a finite difference equation with step tau for the density operator. This implies state reduction to the diagonal form in the energy representation and a quasi ergodic behaviour of quantum mechanical ensemble averages. An intrinsic time-energy relation tauΔE>=(h/2π)/2 is proposed, and its equivalence to a time quantization is discussed. (author)

  3. Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models

    Stovgaard Kasper

    2010-08-01

    Full Text Available Abstract Background Genome sequencing projects have expanded the gap between the amount of known protein sequences and structures. The limitations of current high resolution structure determination methods make it unlikely that this gap will disappear in the near future. Small angle X-ray scattering (SAXS is an established low resolution method for routinely determining the structure of proteins in solution. The purpose of this study is to develop a method for the efficient calculation of accurate SAXS curves from coarse-grained protein models. Such a method can for example be used to construct a likelihood function, which is paramount for structure determination based on statistical inference. Results We present a method for the efficient calculation of accurate SAXS curves based on the Debye formula and a set of scattering form factors for dummy atom representations of amino acids. Such a method avoids the computationally costly iteration over all atoms. We estimated the form factors using generated data from a set of high quality protein structures. No ad hoc scaling or correction factors are applied in the calculation of the curves. Two coarse-grained representations of protein structure were investigated; two scattering bodies per amino acid led to significantly better results than a single scattering body. Conclusion We show that the obtained point estimates allow the calculation of accurate SAXS curves from coarse-grained protein models. The resulting curves are on par with the current state-of-the-art program CRYSOL, which requires full atomic detail. Our method was also comparable to CRYSOL in recognizing native structures among native-like decoys. As a proof-of-concept, we combined the coarse-grained Debye calculation with a previously described probabilistic model of protein structure, TorusDBN. This resulted in a significant improvement in the decoy recognition performance. In conclusion, the presented method shows great promise for

  4. Abrasion and algal fouling of coarse material on the Murman littoral

    Malavenda S. V.

    2017-03-01

    Full Text Available On the Murmansk coast of the Barents Sea the boulder littoral zone is widely spread mostly covered by Fucus communities. This is one of the most productive benthic communities of the Barents Sea. The studies of intertidal communities have the long history, but the dynamics of intertidal ecosystems due to surf and storms is not clear. The goal of the work is to identify the leading factors that determine the rate of abrasion of coarse material and fouling algae-macrophytes of the intertidal zone of Murman. The study has been conducted in the Zelenetskaya Bay of the Barents Sea on the basis of the biological station of the MMBI KSC RAS. The rate of abrasion has been carried out during 2004–2013, phyto-overgrowing – 2009–2013. In three pilot landfills 12 samples of coarse material have been exposed during the year (from July to next July. The weight change of the sample as well as species composition and biomass of algae of fouling communities have been investigated. The influence of the surf intensity, temperature of water and air has been analyzed (univariate analysis of variance ANOVA has been applied. It has been shown that on the littoral of the Murmansk coast the abrasion of coarse material is determined primarily by the number of storms, so the storm rate has been proposed. It has been revealed that the density of fouling boulders with macroalgae depends primarily on the intensity of the surf and the average gradient of air temperature. The basis for the emerging communities of annual species are green (Acrosiphonia arcta, Blidingia minima, Spongomorpha aeruginosa and brown algae (Pylaiella littoralis, Dictyosiphon chordaria. These algae groups are found everywhere in Fucus communities of the boulder intertidal zone of the Murman coast and probably they are the intermediate stage of fouling the coarse-grained material

  5. Flow structure of coarse-grained slurry in a horizontal pipe

    Vlasák, Pavel; Kysela, Bohuš; Chára, Zdeněk

    2012-01-01

    Roč. 60, č. 2 (2012), s. 115-124 ISSN 0042-790X R&D Projects: GA ČR GAP105/10/1574 Institutional research plan: CEZ:AV0Z20600510 Keywords : coarse-grained slurry * turbulent flow * pressure drop * velocity distribution * flow structure * concentration effect Subject RIV: BK - Fluid Dynamics Impact factor: 0.653, year: 2012

  6. An Analysis of the Ecology and Public Perception of Coarse Woody Debris in Virginia

    Fuhrman, Nicholas E.

    2004-01-01

    Coarse woody debris (CWD) is an important habitat component for wildlife, fish, and plants and is important in nutrient cycling and soil formation. Knowledge of the volume, distribution, and use of CWD across Virginia would be useful to forest managers modeling nutrient budgets in southeastern forests and is important to wildlife management efforts. Knowledge of the effectiveness of informational brochures and cooperative learning activities/presentations at influencing public perception of C...

  7. Spatial and temporal patterns of beetles associated with coarse woody debris in managed bottomland hardwood forests

    Michael D. Ulyshen; James L. Hanula; Scott Horn; John C. Kilgo; Christopher E. Moorman

    2004-01-01

    Malaise traps were used to sample beetles in artificial canopy gaps of different size (0.13 ha, 0.26 ha, and 0.50 ha) and age in a South Carolina bottomland hardwood forest. Traps were placed at the center, edge, and in the surrounding forest of each gap. Young gaps (~1 year) had large amounts of coarse woody debris compared to the surrounding forest, while older gaps...

  8. Coarse-Grained Online Monitoring of BTI Aging by Reusing Power-Gating Infrastructure

    Tenentes, V.; Rossi, D.; Sheng Yang,; Khursheed, S.; Al-Hashimi, B.M.; Gunn, S.R.

    2017-01-01

    In this paper, we present a novel coarse-grained technique for monitoring online the Bias Temperature Instability (BTI) aging of circuits by exploiting their power gating infrastructure. The proposed technique relies on monitoring the discharge time of the virtual-power-network during stand-by operations, the value of which depends on the threshold voltage of the CMOS devices in the power-gated design (PGD). It does not require any distributed sensors, because the virtual-power network is alr...

  9. Comparison of coarse coal dust sampling techniques in a laboratory-simulated longwall section.

    Patts, Justin R; Barone, Teresa L

    2017-05-01

    Airborne coal dust generated during mining can deposit and accumulate on mine surfaces, presenting a dust explosion hazard. When assessing dust hazard mitigation strategies for airborne dust reduction, sampling is done in high-velocity ventilation air, which is used to purge the mining face and gallery tunnel. In this environment, the sampler inlet velocity should be matched to the air stream velocity (isokinetic sampling) to prevent oversampling of coarse dust at low sampler-to-air velocity ratios. Low velocity ratios are often encountered when using low flow rate, personal sampling pumps commonly used in underground mines. In this study, with a goal of employing mine-ready equipment, a personal sampler was adapted for area sampling of coarse coal dust in high-velocity ventilation air. This was done by adapting an isokinetic nozzle to the inlet of an Institute of Occupational Medicine (Edinburgh, Scotland) sampling cassette (IOM). Collected dust masses were compared for the modified IOM isokinetic sampler (IOM-MOD), the IOM without the isokinetic nozzle, and a conventional dust sampling cassette without the cyclone on the inlet. All samplers were operated at a flow rate typical of personal sampling pumps: 2 L/min. To ensure differences between collected masses that could be attributed to sampler design and were not influenced by artifacts from dust concentration gradients, relatively uniform and repeatable dust concentrations were demonstrated in the sampling zone of the National Institute for Occupational Safety and Health experimental mine gallery. Consistent with isokinetic theory, greater differences between isokinetic and non-isokinetic sampled masses were found for larger dust volume-size distributions and higher ventilation air velocities. Since isokinetic sampling is conventionally used to determine total dust concentration, and isokinetic sampling made a difference in collected masses, the results suggest when sampling for coarse coal dust the IOM-MOD may

  10. Coarse-graining polymers with the MARTINI force-field: polystyrene as a benchmark case

    Rossi, G.; Monticelli, L.; Puisto, S. R.

    2011-01-01

    We hereby introduce a new hybrid thermodynamic-structural approach to the coarse-graining of polymers. The new model is developed within the framework of the MARTINI force-field (Marrink et al., J. Phys. Chem. B, 2007, 111, 7812), which uses mainly thermodynamic properties as targets...... of microseconds. Finally, we tested our model in dilute conditions. The collapse of the polymer chains in a bad solvent and the swelling in a good solvent could be reproduced....

  11. A general coarse and fine mesh solution scheme for fluid flow modeling in VHTRS

    Clifford, I; Ivanov, K; Avramova, M.

    2011-01-01

    Coarse mesh Computational Fluid Dynamics (CFD) methods offer several advantages over traditional coarse mesh methods for the safety analysis of helium-cooled graphite-moderated Very High Temperature Reactors (VHTRs). This relatively new approach opens up the possibility for system-wide calculations to be carried out using a consistent set of field equations throughout the calculation, and subsequently the possibility for hybrid coarse/fine mesh or hierarchical multi scale CFD simulations. To date, a consistent methodology for hierarchical multi-scale CFD has not been developed. This paper describes work carried out in the initial development of a multi scale CFD solver intended to be used for the safety analysis of VHTRs. The VHTR is considered on any scale to consist of a homogenized two-phase mixture of fluid and stationary solid material of varying void fraction. A consistent set of conservation equations was selected such that they reduce to the single-phase conservation equations for the case where void fraction is unity. The discretization of the conservation equations uses a new pressure interpolation scheme capable of capturing the discontinuity in pressure across relatively large changes in void fraction. Based on this, a test solver was developed which supports fully unstructured meshes for three-dimensional time-dependent compressible flow problems, including buoyancy effects. For typical VHTR flow phenomena the new solver shows promise as an effective candidate for predicting the flow behavior on multiple scales, as it is capable of modeling both fine mesh single phase flows as well as coarse mesh flows in homogenized regions containing both fluid and solid materials. (author)

  12. Evaluation of coarse scale land surface remote sensing albedo product over rugged terrain

    Wen, J.; Xinwen, L.; You, D.; Dou, B.

    2017-12-01

    Satellite derived Land surface albedo is an essential climate variable which controls the earth energy budget and it can be used in applications such as climate change, hydrology, and numerical weather prediction. The accuracy and uncertainty of surface albedo products should be evaluated with a reliable reference truth data prior to applications. And more literatures investigated the validation methods about the albedo validation in a flat or homogenous surface. However, the albedo performance over rugged terrain is still unknow due to the validation method limited. A multi-validation strategy is implemented to give a comprehensive albedo validation, which will involve the high resolution albedo processing, high resolution albedo validation based on in situ albedo, and the method to upscale the high resolution albedo to a coarse scale albedo. Among them, the high resolution albedo generation and the upscale method is the core step for the coarse scale albedo validation. In this paper, the high resolution albedo is generated by Angular Bin algorithm. And a albedo upscale method over rugged terrain is developed to obtain the coarse scale albedo truth. The in situ albedo located 40 sites in mountain area are selected globally to validate the high resolution albedo, and then upscaled to the coarse scale albedo by the upscale method. This paper takes MODIS and GLASS albedo product as a example, and the prelimarily results show the RMSE of MODIS and GLASS albedo product over rugged terrain are 0.047 and 0.057, respectively under the RMSE with 0.036 of high resolution albedo.

  13. Coarse-grained simulation of a real-time process control network under peak load

    George, A.D.; Clapp, N.E. Jr.

    1992-01-01

    This paper presents a simulation study on the real-time process control network proposed for the new ANS reactor system at ORNL. A background discussion is provided on networks, modeling, and simulation, followed by an overview of the ANS process control network, its three peak-load models, and the results of a series of coarse-grained simulation studies carried out on these models using implementations of 802.3, 802.4, and 802.5 standard local area networks

  14. Particles of bottom and suspended sediments: height of rise

    Khodzinskaya Anna Gennadievna

    2014-12-01

    Full Text Available In the article, characteristic values of dynamic sizes of bottom and suspended sediments, including their probabilistic assessment, are considered. The article presents the processing results in respect of the experimental data for bottom and suspended sediments, obtained in the laboratory environment using samples and filming methods. The experiments have proven that the dynamic hydraulic size determines the height of rise for the particles of the saltation load, rather than suspended ones. In the laboratory environment, the maximal height of rise is mainly driven by the relative flow depth. According to the assessment made by the co-authors, depths of flows employed in the experiments designated for the identification of heights of rises, were comparable to saltation heights of particles. Besides, the saltation height of particles, having relative density well below 2.65, nearly always exceeded half of the depth of the laboratory flow. Hydrodynamic conditions favourable for the separation and motion of artificial particles in coarse surface tanks are far different from the motion of sand particles on the bottom of lowland rivers. Values of hydraulic resistance ratios typical for laboratory experiments by far exceed their values typical for lowland rivers, and it means that the conditions of the experiments performed in the laboratory were similar to those typical for mountain rivers. The research findings have proven that the particle separation and motion pattern, if artificial particles are made of the materials demonstrating variable density and elasticity values and if loose particles travel over fixed ones, is different from the pattern typical for natural particles having variable coarseness.

  15. Air pollution, asthma and allergy - the importance of different types of particles

    Ormstad, Heidi; Loevik, Martinus

    2002-01-01

    Particulate air pollution has been much discussed in Norway during the last few years. Coarse particles from asphalt are likely to have quite different properties than the far smaller particles from diesel exhaust. On the basis of data from the literature and our own research, we discuss the health problem of different types of particles with a focus on allergy and respiratory symptoms. Diesel exhaust particles have well-documented adverse effects in relation to allergic airway disease. They increase symptoms load in already allergic individuals and also seem to contribute to the increased prevalence of allergy. PM 10 is today measured on the basis of weight, not on number. Diesel exhaust particles are much smaller than road surface particles; hence PM 10 measurements reflect road surface dust pollution more than exhaust particles. Focus should now be given to diesel exhaust particles in order to reduce the adverse health effects of particulate air pollution in Norwegian cities. (author)

  16. New particles

    Khare, A.

    1980-07-01

    Current state of art in the discovery of new elementary particles is reviewed. At present, quarks and mesons are accepted as the basic constituents of matter. The charmonium model (canti-c system), and the 'open charm' are discussed. Explanations are offered for the recent discovery of the heavy lepton tau. Quark states such as the beauty and taste are also dealt with at length. The properties of the tanti-t bound system are speculated. It is concluded that the understanding of canti-c and banti-b families is facilitated by the assumption of the quarkonium model. Implications at the astrophysical level are indicated.

  17. Particle Mechanics

    Collinson, Chris

    1995-01-01

    * Assumes no prior knowledge* Adopts a modelling approach* Numerous tutorial problems, worked examples and exercises included* Elementary topics augmented by planetary motion and rotating framesThis text provides an invaluable introduction to mechanicsm confining attention to the motion of a particle. It begins with a full discussion of the foundations of the subject within the context of mathematical modelling before covering more advanced topics including the theory of planetary orbits and the use of rotating frames of reference. Truly introductory , the style adoped is perfect for those u

  18. Multilevel Methods for Elliptic Problems with Highly Varying Coefficients on Nonaligned Coarse Grids

    Scheichl, Robert [Univ. of Bath (United Kingdom). Dept. of Mathematical Sciences; Vassilevski, Panayot S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Zikatanov, Ludmil T. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Mathematics

    2012-06-21

    We generalize the analysis of classical multigrid and two-level overlapping Schwarz methods for 2nd order elliptic boundary value problems to problems with large discontinuities in the coefficients that are not resolved by the coarse grids or the subdomain partition. The theoretical results provide a recipe for designing hierarchies of standard piecewise linear coarse spaces such that the multigrid convergence rate and the condition number of the Schwarz preconditioned system do not depend on the coefficient variation or on any mesh parameters. One assumption we have to make is that the coarse grids are sufficiently fine in the vicinity of cross points or where regions with large diffusion coefficients are separated by a narrow region where the coefficient is small. We do not need to align them with possible discontinuities in the coefficients. The proofs make use of novel stable splittings based on weighted quasi-interpolants and weighted Poincaré-type inequalities. Finally, numerical experiments are included that illustrate the sharpness of the theoretical bounds and the necessity of the technical assumptions.

  19. Generalized Coarse-Mesh Rebalance Method for Acceleration of Neutron Transport Calculations

    Yamamoto, Akio

    2005-01-01

    This paper proposes a new acceleration method for neutron transport calculations: the generalized coarse-mesh rebalance (GCMR) method. The GCMR method is a unified scheme of the traditional coarse-mesh rebalance (CMR) and the coarse-mesh finite difference (CMFD) acceleration methods. Namely, by using an appropriate acceleration factor, formulation of the GCMR method becomes identical to that of the CMR or CMFD method. This also indicates that the convergence property of the GCMR method can be controlled by the acceleration factor since the convergence properties of the CMR and CMFD methods are generally different. In order to evaluate the convergence property of the GCMR method, a linearized Fourier analysis was carried out for a one-group homogeneous medium, and the results clarified the relationship between the acceleration factor and the spectral radius. It was also shown that the spectral radius of the GCMR method is smaller than those of the CMR and CMFD methods. Furthermore, the Fourier analysis showed that when an appropriate acceleration factor was used, the spectral radius of the GCMR method did not exceed unity in this study, which was in contrast to the results of the CMR or the CMFD method. Application of the GCMR method to practical calculations will be easy when the CMFD acceleration is already adopted in a transport code. By multiplying a suitable acceleration factor to a coefficient (D FD ) of a finite difference formulation, one can improve the numerical instability of the CMFD acceleration method

  20. Effects of oil palm shell coarse aggregate species on high strength lightweight concrete.

    Yew, Ming Kun; Bin Mahmud, Hilmi; Ang, Bee Chin; Yew, Ming Chian

    2014-01-01

    The objective of this study was to investigate the effects of different species of oil palm shell (OPS) coarse aggregates on the properties of high strength lightweight concrete (HSLWC). Original and crushed OPS coarse aggregates of different species and age categories were investigated in this study. The research focused on two OPS species (dura and tenera), in which the coarse aggregates were taken from oil palm trees of the following age categories (3-5, 6-9, and 10-15 years old). The results showed that the workability and dry density of the oil palm shell concrete (OPSC) increase with an increase in age category of OPS species. The compressive strength of specimen CD3 increases significantly compared to specimen CT3 by 21.8%. The maximum achievable 28-day and 90-day compressive strength is 54 and 56 MPa, respectively, which is within the range for 10-15-year-old crushed dura OPS. The water absorption was determined to be within the range for good concrete for the different species of OPSC. In addition, the ultrasonic pulse velocity (UPV) results showed that the OPS HSLWC attain good condition at the age of 3 days.

  1. Cyclic Behavior of Low Rise Concrete Shear Walls Containing Recycled Coarse and Fine Aggregates.

    Qiao, Qiyun; Cao, Wanlin; Qian, Zhiwei; Li, Xiangyu; Zhang, Wenwen; Liu, Wenchao

    2017-12-07

    In this study, the cyclic behaviors of low rise concrete shear walls using recycled coarse or fine aggregates were investigated. Eight low rise Recycled Aggregates Concrete (RAC) shear wall specimens were designed and tested under a cyclic loading. The following parameters were varied: replacement percentages of recycled coarse or fine aggregates, reinforcement ratio, axial force ratio and X-shaped rebars brace. The failure characteristics, hysteretic behavior, strength and deformation capacity, strain characteristics and stiffness were studied. Test results showed that the using of the Recycled Coarse Aggregates (RCA) and its replacement ratio had almost no influence on the mechanical behavior of the shear wall; however, the using of Recycled Fine Aggregates (RFA) had a certain influence on the ductility of the shear wall. When the reinforcement ratio increased, the strength and ductility also increased. By increasing the axial force ratio, the strength increased but the ductility decreased significantly. The encased brace had a significant effect on enhancing the RAC shear walls. The experimental maximum strengths were evaluated with existing design codes, it was indicated that the strength evaluation of the low rise RAC shear walls can follow the existing design codes of the conventional concrete shear walls.

  2. Quick evaluation of multiple geostatistical models using upscaling with coarse grids: A practical study

    Lemouzy, P. [Institut Francais du Petrole and ELF/IFP Helios Group, Pau (France)

    1997-08-01

    In field delineation phase, uncertainty in hydrocarbon reservoir descriptions is large. To quickly examine the impact of this uncertainty on production performance, it is necessary to evaluate a large number of descriptions in relation to possible production methods (well spacing, injection rate, etc.). The method of using coarse upscaled models was first proposed by Ballin. Unlike other methods (connectivity analysis, tracer simulations), it considers parameters such as PVT, well management, etc. After a detailed review of upscaling issues, applications to water-injection cases (either with balance or imbalance of production, with or without aquifer) and to depletion of an oil reservoir with aquifer coning are presented. Much more important than the method of permeability upscaling far from wells, the need of correct upscaling of numerical well representation is pointed out Methods are proposed to accurately represent fluids volumes in coarse models. Simple methods to upscale relative permeabilities, and methods to efficiently correct numerical dispersion are proposed. Good results are obtained for water injection. The coarse upscaling method allows the performance of sensitivity analyses on model parameters at a much lower CPU cost than comprehensive simulations. Models representing extreme behaviors can be easily distinguished. For depletion of an oil reservoir showing aquifer coning, however, the method did not work property. It is our opinion that further research is required for upscaling close to wells. We therefore recombined this method for practical use in the case of water injection.

  3. Cyclic Behavior of Low Rise Concrete Shear Walls Containing Recycled Coarse and Fine Aggregates

    Qiyun Qiao

    2017-12-01

    Full Text Available In this study, the cyclic behaviors of low rise concrete shear walls using recycled coarse or fine aggregates were investigated. Eight low rise Recycled Aggregates Concrete (RAC shear wall specimens were designed and tested under a cyclic loading. The following parameters were varied: replacement percentages of recycled coarse or fine aggregates, reinforcement ratio, axial force ratio and X-shaped rebars brace. The failure characteristics, hysteretic behavior, strength and deformation capacity, strain characteristics and stiffness were studied. Test results showed that the using of the Recycled Coarse Aggregates (RCA and its replacement ratio had almost no influence on the mechanical behavior of the shear wall; however, the using of Recycled Fine Aggregates (RFA had a certain influence on the ductility of the shear wall. When the reinforcement ratio increased, the strength and ductility also increased. By increasing the axial force ratio, the strength increased but the ductility decreased significantly. The encased brace had a significant effect on enhancing the RAC shear walls. The experimental maximum strengths were evaluated with existing design codes, it was indicated that the strength evaluation of the low rise RAC shear walls can follow the existing design codes of the conventional concrete shear walls.

  4. MISTICA: Minimum Spanning Tree-Based Coarse Image Alignment for Microscopy Image Sequences.

    Ray, Nilanjan; McArdle, Sara; Ley, Klaus; Acton, Scott T

    2016-11-01

    Registration of an in vivo microscopy image sequence is necessary in many significant studies, including studies of atherosclerosis in large arteries and the heart. Significant cardiac and respiratory motion of the living subject, occasional spells of focal plane changes, drift in the field of view, and long image sequences are the principal roadblocks. The first step in such a registration process is the removal of translational and rotational motion. Next, a deformable registration can be performed. The focus of our study here is to remove the translation and/or rigid body motion that we refer to here as coarse alignment. The existing techniques for coarse alignment are unable to accommodate long sequences often consisting of periods of poor quality images (as quantified by a suitable perceptual measure). Many existing methods require the user to select an anchor image to which other images are registered. We propose a novel method for coarse image sequence alignment based on minimum weighted spanning trees (MISTICA) that overcomes these difficulties. The principal idea behind MISTICA is to reorder the images in shorter sequences, to demote nonconforming or poor quality images in the registration process, and to mitigate the error propagation. The anchor image is selected automatically making MISTICA completely automated. MISTICA is computationally efficient. It has a single tuning parameter that determines graph width, which can also be eliminated by the way of additional computation. MISTICA outperforms existing alignment methods when applied to microscopy image sequences of mouse arteries.

  5. Shape tracking with occlusions via coarse-to-fine region-based sobolev descent

    Yang, Yanchao

    2015-05-01

    We present a method to track the shape of an object from video. The method uses a joint shape and appearance model of the object, which is propagated to match shape and radiance in subsequent frames, determining object shape. Self-occlusions and dis-occlusions of the object from camera and object motion pose difficulties to joint shape and appearance models in tracking. They are unable to adapt to new shape and appearance information, leading to inaccurate shape detection. In this work, we model self-occlusions and dis-occlusions in a joint shape and appearance tracking framework. Self-occlusions and the warp to propagate the model are coupled, thus we formulate a joint optimization problem. We derive a coarse-to-fine optimization method, advantageous in tracking, that initially perturbs the model by coarse perturbations before transitioning to finer-scale perturbations seamlessly. This coarse-to-fine behavior is automatically induced by gradient descent on a novel infinite-dimensional Riemannian manifold that we introduce. The manifold consists of planar parameterized regions, and the metric that we introduce is a novel Sobolev metric. Experiments on video exhibiting occlusions/dis-occlusions, complex radiance and background show that occlusion/dis-occlusion modeling leads to superior shape accuracy. © 2014 IEEE.

  6. Effects of Oil Palm Shell Coarse Aggregate Species on High Strength Lightweight Concrete

    Ming Kun Yew

    2014-01-01

    Full Text Available The objective of this study was to investigate the effects of different species of oil palm shell (OPS coarse aggregates on the properties of high strength lightweight concrete (HSLWC. Original and crushed OPS coarse aggregates of different species and age categories were investigated in this study. The research focused on two OPS species (dura and tenera, in which the coarse aggregates were taken from oil palm trees of the following age categories (3–5, 6–9, and 10–15 years old. The results showed that the workability and dry density of the oil palm shell concrete (OPSC increase with an increase in age category of OPS species. The compressive strength of specimen CD3 increases significantly compared to specimen CT3 by 21.8%. The maximum achievable 28-day and 90-day compressive strength is 54 and 56 MPa, respectively, which is within the range for 10–15-year-old crushed dura OPS. The water absorption was determined to be within the range for good concrete for the different species of OPSC. In addition, the ultrasonic pulse velocity (UPV results showed that the OPS HSLWC attain good condition at the age of 3 days.

  7. Adaptive resolution simulation of polarizable supramolecular coarse-grained water models

    Zavadlav, Julija; Praprotnik, Matej; Melo, Manuel N.; Marrink, Siewert J.

    2015-01-01

    Multiscale simulations methods, such as adaptive resolution scheme, are becoming increasingly popular due to their significant computational advantages with respect to conventional atomistic simulations. For these kind of simulations, it is essential to develop accurate multiscale water models that can be used to solvate biophysical systems of interest. Recently, a 4-to-1 mapping was used to couple the bundled-simple point charge water with the MARTINI model. Here, we extend the supramolecular mapping to coarse-grained models with explicit charges. In particular, the two tested models are the polarizable water and big multiple water models associated with the MARTINI force field. As corresponding coarse-grained representations consist of several interaction sites, we couple orientational degrees of freedom of the atomistic and coarse-grained representations via a harmonic energy penalty term. This additional energy term aligns the dipole moments of both representations. We test this coupling by studying the system under applied static external electric field. We show that our approach leads to the correct reproduction of the relevant structural and dynamical properties

  8. Evaluation of using crushed brick as coarse aggregate in concrete layer within rigid highway pavement

    Alwash Ali

    2018-01-01

    Full Text Available Most of the present studies related to the field of highway pavement construction technique tend to make use of the local available materials as substitutes for the imported and necessary materials for some of the practical application. For this reason this research aims at looking for the prospect of used locally available aggregate such as crushed clay bricks for the aim of producing proper concrete with suitable thermal and mechanical properties. Experimental investigations have been carried out to asses the effect of partial replacement of coarse aggregate by free manually crushed Brick with percentages (10, 20, 30 and 40% of virgin coarse aggregate in concrete mix for highway rigid pavement. While the percentage (0% replacement represent reference mix. Mix proportion based on the target of compressive strength for all replacement percentage of (33 MPa at (28 days to achieve AASHTO requirement for highway concrete rigid pavement .The results of flexural strength, modulus of elasticity, density and thermal conductivity refers to better performance (less thickness of concrete layer with large spacing between contraction or expansion joints and less stresses due to warping induced concrete layer for concrete mix with 20% crushed brick as replacement of coarse aggregate.

  9. Particle size reduction in debris flows: Laboratory experiments compared with field data from Inyo Creek, California

    Arabnia, O.; Sklar, L. S.; Mclaughlin, M. K.

    2014-12-01

    Rock particles in debris flows are reduced in size through abrasion and fracture. Wear of coarse sediments results in production of finer particles, which alter the bulk material rheology and influence flow dynamics and runout distance. Particle wear also affects the size distribution of coarse particles, transforming the initial sediment size distribution produced on hillslopes into that delivered to the fluvial channel network. A better understanding of the controls on particle wear in debris flows would aid in the inferring flow conditions from debris flow deposits, in estimating the initial size of sediments entrained in the flow, and in modeling debris flow dynamics and mapping hazards. The rate of particle size reduction with distance traveled should depend on the intensity of particle interactions with other particles and the flow boundary, and on rock resistance to wear. We seek a geomorphic transport law to predict rate of particle wear with debris flow travel distance as a function of particle size distribution, flow depth, channel slope, fluid composition and rock strength. Here we use four rotating drums to create laboratory debris flows across a range of scales. Drum diameters range from 0.2 to 4.0 m, with the largest drum able to accommodate up to 2 Mg of material, including boulders. Each drum has vanes along the boundary to prevent sliding. Initial experiments use angular clasts of durable granodiorite; later experiments will use less resistant rock types. Shear rate is varied by changing drum rotational velocity. We begin experiments with well-sorted coarse particle size distributions, which are allowed to evolve through particle wear. The fluid is initially clear water, which rapidly acquires fine-grained wear products. After each travel increment all coarse particles (mass > 0.4 g) are weighed individually. We quantify particle wear rates using statistics of size and mass distributions, and by fitting various comminution functions to the data

  10. Exploring the tensile strain energy absorption of hybrid modified epoxies containing soft particles

    Abadyan, M.; Bagheri, R.; Kouchakzadeh, M.A.; Hosseini Kordkheili, S.A.

    2011-01-01

    Research highlights: → Two epoxy systems have been modified by combination of fine and coarse modifiers. → While both hybrid systems reveal synergistic K IC , no synergism is observed in tensile test. → It is found that coarse particles induce stress concentration in hybrid samples. → Stress concentration leads to fracture of samples at lower energy absorption levels. -- Abstract: In this paper, tensile strain energy absorption of two different hybrid modified epoxies has been systematically investigated. In one system, epoxy has been modified by amine-terminated butadiene acrylonitrile (ATBN) and hollow glass spheres as fine and coarse modifiers, respectively. The other hybrid epoxy has been modified by the combination of ATBN and recycled Tire particles. The results of fracture toughness measurement of blends revealed synergistic toughening for both hybrid systems in some formulations. However, no evidence of synergism is observed in tensile test of hybrid samples. Scanning electron microscope (SEM), transmission optical microscope (TOM) and finite element (FEM) simulation were utilized to study deformation mechanisms of hybrid systems in tensile test. It is found that coarse particles induce stress concentration in hybrid samples. This produces non-uniform strain localized regions which lead to fracture of hybrid samples at lower tensile loading and energy absorption levels.

  11. The effects of particle size and origin of calcium carbonate on performance and ossification characteristics in broiler chicks.

    Guinotte, F; Nys, Y; de Monredon, F

    1991-09-01

    The following physico-chemical characteristics of various calcium sources, differing in origin and particle size were determined: mineral composition, sieve and image analysis, apparent solubility (AS), surface area (SA), porous volume, specific gravity, and compressibility (C). The AS, SA, and C values were related more to the calcium particle size than to its origin and were higher in ground calcium sources. Calcium retention of seashells treated with phosphoric acid, oyster shells, and limestone using two particle sizes, ground or particulate, was assayed in 98 broiler chicks. Particulate marble was also tested in this experiment. Calcium retention expressed as a percentage of calcium ingestion was decreased when coarse particles of calcium were supplied in lieu of pulverized sources (40 versus 49%). An experiment with a 3 x 3 x 3 factorial arrangement of treatments were tested using 576 broiler chicks. Treatments included three calcium sources (phosphorus-treated shell, oyster shell, and marble), three particle sizes [ground (less than .15 mm), medium (.6 to 1.18 mm) and coarse (greater than 1.18 mm)] and three levels of calcium (.5,.7, and .9%) with ground limestone as a reference. Performance, tibial morphometry, breaking strength variables, and ash content were measured at 4 wk of age. Weight gain and feed conversion were ameliorated with ground particles of calcium. Cortical thickness, length of the tibia, stiffness, stress, and tibia ash were diminished when coarse particles of calcium were incorporated in the diets. Conversely, the origin of the calcium source hardly affected these criteria. Additionally, the incorporation of phosphorus-treated shells was assayed in 112 broiler chicks. Coarse particles decreased calcium retention. Consequently, ultimate stress, the modulus of elasticity, and stress were impaired. It is concluded that differences in utilization of calcium carbonate sources by the broiler chick is primarily a result of particle size rather

  12. Hydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics

    Alekseeva, Uliana, E-mail: Alekseeva@itc.rwth-aachen.de [Jülich Supercomputing Centre (JSC), Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); German Research School for Simulation Sciences (GRS), Forschungszentrum Jülich, D-52425 Jülich (Germany); Winkler, Roland G., E-mail: r.winkler@fz-juelich.de [Theoretical Soft Matter and Biophysics, Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); Sutmann, Godehard, E-mail: g.sutmann@fz-juelich.de [Jülich Supercomputing Centre (JSC), Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); ICAMS, Ruhr-University Bochum, D-44801 Bochum (Germany)

    2016-06-01

    A new adaptive resolution technique for particle-based multi-level simulations of fluids is presented. In the approach, the representation of fluid and solvent particles is changed on the fly between an atomistic and a coarse-grained description. The present approach is based on a hybrid coupling of the multiparticle collision dynamics (MPC) method and molecular dynamics (MD), thereby coupling stochastic and deterministic particle-based methods. Hydrodynamics is examined by calculating velocity and current correlation functions for various mixed and coupled systems. We demonstrate that hydrodynamic properties of the mixed fluid are conserved by a suitable coupling of the two particle methods, and that the simulation results agree well with theoretical expectations.

  13. Chemical characterization of outdoor and subway fine (PM(2.5-1.0)) and coarse (PM(10-2.5)) particulate matter in Seoul (Korea) by computer-controlled scanning electron microscopy (CCSEM).

    Byeon, Sang-Hoon; Willis, Robert; Peters, Thomas M

    2015-02-13

    Outdoor and indoor (subway) samples were collected by passive sampling in urban Seoul (Korea) and analyzed with computer-controlled scanning electron microscopy coupled with energy dispersive x-ray spectroscopy (CCSEM-EDX). Soil/road dust particles accounted for 42%-60% (by weight) of fine particulate matter larger than 1 µm (PM(2.5-1.0)) in outdoor samples and 18% of PM2.5-1.0 in subway samples. Iron-containing particles accounted for only 3%-6% in outdoor samples but 69% in subway samples. Qualitatively similar results were found for coarse particulate matter (PM(10-2.5)) with soil/road dust particles dominating outdoor samples (66%-83%) and iron-containing particles contributing most to subway PM(10-2.5) (44%). As expected, soil/road dust particles comprised a greater mass fraction of PM(10-2.5) than PM(2.5-1.0). Also as expected, the mass fraction of iron-containing particles was substantially less in PM(10-2.5) than in PM(2.5-1.0). Results of this study are consistent with known emission sources in the area and with previous studies, which showed high concentrations of iron-containing particles in the subway compared to outdoor sites. Thus, passive sampling with CCSEM-EDX offers an inexpensive means to assess PM(2.5-1.0) and PM(10-2.5) simultaneously and by composition at multiple locations.

  14. Investigation on the crystallography of the transformation products of reverted austenite in intercritically reheated coarse grained heat affected zone

    You, Yang; Shang, Chengjia; Chen, Liang; Subramanian, Sundaresa

    2013-01-01

    Highlights: ► Area of reverted austenite is traced out by crystallographic information. ► Bainite and martensite regions were confirmed within it. ► The martensite region is considered as the blocky MA particles. ► Martensite region has high deformation to initiate fracture. ► More uniform transformation of the reverted austenite is good for toughness. -- Abstract: In present study the intercritically reheated coarse grained heat affected zone (ICCGHAZ) showing the worst impact toughness in the heat affected zone of multi-pass welding was simulated by Gleeble-1500, and its microstructure was investigated in detail by means of scanning electron microscope (SEM) and electron backscattering diffraction (EBSD). With the crystallographic information from EBSD scanning the area of a single reverted austenite grain which formed during the thermal cycles of second pass simulation was traced out. Within it two regions with different characteristic both in morphology and crystallography were found out, showing an un-uniform transformation of the reverted austenite. The region I is a bainitic region containing larger bainitic ferrite grains, while the region II is made up of several clusters containing tiny grains. Based on the crystallographic information each cluster was determined as martensite island thereby should be considered as blocky Martensite/Austenite constituent (M/A), which is hard phase and harmful for toughness. Analysis on the level of deformation shows that the region II is much higher deformed than the region I, indicating there is high stress concentration within the region II. The possible influence of the region I and the region II on fracture is discussed under the early proposed M/A’s fracture-initiating mechanisms. It suggests that the main cause of the toughness reduction is the un-uniform transformation of the reverted austenite, and the toughness performance of the ICCGHAZ could be improved if the transformation of the reverted

  15. Fermilab | Particle Physics Division

    Diversity Education Safety Sustainability and Environment Contact Science Science Particle Physics Neutrinos Scientific Computing Research & Development Key Discoveries Benefits of Particle Physics Particle Superconducting Test Accelerator LHC and Future Accelerators Accelerators for Science and Society Particle Physics

  16. The strategy of alternate direction adapted to a coarse mesh method for the solution of neutron diffusion problems

    Watson, F.V.

    1982-01-01

    An adaptation of the alternate direction method for coarse mesh calculation, is presented. The algorithm is applicable to two-and three dimensional problems, the last being the more interesting one. (E.G.) [pt

  17. The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems

    Kalligiannaki, Evangelia; Harmandaris, Vagelis; Katsoulakis, Markos A.; Plecháč, Petr

    2015-01-01

    Using the probabilistic language of conditional expectations, we reformulate the force matching method for coarse-graining of molecular systems as a projection onto spaces of coarse observables. A practical outcome of this probabilistic description is the link of the force matching method with thermodynamic integration. This connection provides a way to systematically construct a local mean force and to optimally approximate the potential of mean force through force matching. We introduce a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (e.g., reaction coordinates, end-to-end length of chains). Furthermore, we study the equivalence of force matching with relative entropy minimization which we derive for general non-linear coarse graining maps. We present in detail the generalized force matching condition through applications to specific examples in molecular systems

  18. The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems

    Kalligiannaki, Evangelia, E-mail: ekalligian@tem.uoc.gr [Department of Mathematics and Applied Mathematics, University of Crete, 70013 Heraklion (Greece); Harmandaris, Vagelis, E-mail: harman@uoc.gr [Department of Mathematics and Applied Mathematics, University of Crete, 70013 Heraklion (Greece); Institute of Applied and Computational Mathematics (IACM), Foundation for Research and Technology Hellas (FORTH), IACM/FORTH, GR-71110 Heraklion (Greece); Katsoulakis, Markos A., E-mail: markos@math.umass.edu [Department of Mathematics and Statistics, University of Massachusetts, Amherst, Massachusetts 01003 (United States); Plecháč, Petr, E-mail: plechac@math.udel.edu [Department of Mathematical Sciences, University of Delaware, Newark, Delaware 19716 (United States)

    2015-08-28

    Using the probabilistic language of conditional expectations, we reformulate the force matching method for coarse-graining of molecular systems as a projection onto spaces of coarse observables. A practical outcome of this probabilistic description is the link of the force matching method with thermodynamic integration. This connection provides a way to systematically construct a local mean force and to optimally approximate the potential of mean force through force matching. We introduce a generalized force matching condition for the local mean force in the sense that allows the approximation of the potential of mean force under both linear and non-linear coarse graining mappings (e.g., reaction coordinates, end-to-end length of chains). Furthermore, we study the equivalence of force matching with relative entropy minimization which we derive for general non-linear coarse graining maps. We present in detail the generalized force matching condition through applications to specific examples in molecular systems.

  19. Influence of agitation intensity on flotation rate of apatite particles

    Francisco Gregianin Testa

    Full Text Available Abstract The agitation intensity has a directly influence on flotation performance, lifting the particles and promoting the contact of bubbles and particles. In this paper, the energy input by the agitation on apatite flotation was investigated. The influence of pulp agitation in the flotation rate of particles with different sizes and two dosage levels was evaluated by batch testing. The flotation tests were conducted in an oscillating grid flotation cell (OGC, developed to promote a near isotropic turbulence environment. The cell is able to control the intensity of agitation and measure the energy transferred to the pulp phase. A sample of pure apatite was crushed (P80=310µm, characterized and floated with sodium oleate as collector. Four levels of energy dissipation, from 0.1 to 2 kWm-3, and two levels of collector dosage are used during the tests. The flotation kinetics by particle size were determined in function of the energy transferred. The results show a strong influence of the agitation intensity on the apatite flotation rate with both low and high dosage. For fine particles, when increasing the energy input, the flotation rate increase too, and this fact can be attributed to elevation of bubble-particle collisions. The kinetic result for the coarse particles demonstrated a reduction of the flotation rate whenever the energy input for this particle size was increased, whereby the turbulence caused by the agitation promotes the detachment of bubble-particle.

  20. Climatic regions as an indicator of forest coarse and fine woody debris carbon stocks in the United States

    Liknes Greg C

    2008-06-01

    Full Text Available Abstract Background Coarse and fine woody debris are substantial forest ecosystem carbon stocks; however, there is a lack of understanding how these detrital carbon stocks vary across forested landscapes. Because forest woody detritus production and decay rates may partially depend on climatic conditions, the accumulation of coarse and fine woody debris carbon stocks in forests may be correlated with climate. This study used a nationwide inventory of coarse and fine woody debris in the United States to examine how these carbon stocks vary by climatic regions and variables. Results Mean coarse and fine woody debris forest carbon stocks vary by Köppen's climatic regions across the United States. The highest carbon stocks were found in regions with cool summers while the lowest carbon stocks were found in arid desert/steppes or temperate humid regions. Coarse and fine woody debris carbon stocks were found to be positively correlated with available moisture and negatively correlated with maximum temperature. Conclusion It was concluded with only medium confidence that coarse and fine woody debris carbon stocks may be at risk of becoming net emitter of carbon under a global climate warming scenario as increases in coarse or fine woody debris production (sinks may be more than offset by increases in forest woody detritus decay rates (emission. Given the preliminary results of this study and the rather tenuous status of coarse and fine woody debris carbon stocks as either a source or sink of CO2, further research is suggested in the areas of forest detritus decay and production.