WorldWideScience

Sample records for included coarse silt

  1. An Information-Theoretic Perspective on Coarse-Graining, Including the Transition from Micro to Macro

    Directory of Open Access Journals (Sweden)

    Kristian Lindgren

    2015-05-01

    Full Text Available An information-theoretic perspective on coarse-graining is presented. It starts with an information characterization of configurations at the micro-level using a local information quantity that has a spatial average equal to a microscopic entropy. With a reversible micro dynamics, this entropy is conserved. In the micro-macro transition, it is shown how this local information quantity is transformed into a macroscopic entropy, as the local states are aggregated into macroscopic concentration variables. The information loss in this transition is identified, and the connection to the irreversibility of the macro dynamics and the second law of thermodynamics is discussed. This is then connected to a process of further coarse-graining towards higher characteristic length scales in the context of chemical reaction-diffusion dynamics capable of pattern formation. On these higher levels of coarse-graining, information flows across length scales and across space are defined. These flows obey a continuity equation for information, and they are connected to the thermodynamic constraints of the system, via an outflow of information from macroscopic to microscopic levels in the form of entropy production, as well as an inflow of information, from an external free energy source, if a spatial chemical pattern is to be maintained.

  2. Human alveolar macrophage responses to air pollution particulates are associated with insoluble components of coarse material, including particulate endotoxin.

    Science.gov (United States)

    Soukup, J M; Becker, S

    2001-02-15

    Inhalation of particulate matter in the ambient air has been shown to cause pulmonary morbidity and exacerbate asthma. Alveolar macrophage (AM) are essential for effective removal of inhaled particles and microbes in the lower airways. While some particles minimally effect AM function others inhibit antimicrobial activity or cause cytokine and growth factor production leading to inflammation and tissue remodeling. This study has investigated the effects of water soluble (s) and insoluble (is) components of Chapel Hill, North Carolina ambient particulate matter in the size ranges 0.1-2.5 microm (PM2.5) and 2.5-10 microm (PM10) diameter, on human AM IL-6, TNFalpha, and MCP-1 cytokine production and host defense mechanisms including phagocytosis and oxidant production. Cytokines were found to be induced by isPM10 to a much higher extent (>50-fold) than sPM10, which in turn stimulated production better than isPM2.5, while sPM2.5 was inactive. Previous studies have indicated that endotoxin (ETOX) is a component of sPM10 responsible for cytokine production. Here, it is shown that inhibition of isPM10-induced cytokine production was partially achieved with polymyxin B and LPS-binding protein (LBP), but not with a metal chelator, implicating ETOX as a cytokine-inducing moiety also in isPM10. In addition to inducing cytokines, exposure to isPM10, but not the other PM fractions, also inhibited phagocytosis and oxidant generation in response to yeast. This inhibition was ETOX independent. The decrease in host defenses may be the result of apoptosis in the AM population, which was also found to be specifically caused by isPM10. These results show that the functional capacity of AM is selectively modulated by insoluble components of coarse PM, including the biocontaminant ETOX.

  3. Performance Evaluations of Three Silt Fence Practices Using a Full-Scale Testing Apparatus

    Directory of Open Access Journals (Sweden)

    R. Alan Bugg

    2017-07-01

    Full Text Available Erosion and sediment controls on construction sites minimize environmental impacts from sediment-laden stormwater runoff. Silt fence, a widely specified perimeter control practice on construction projects used to retain sediment on-site, has limited performance-based testing data. Silt fence failures and resultant sediment losses are often the result of structural failure. To better understand silt fence performance, researchers at the Auburn University-Erosion and Sediment Control Testing Facility (AU-ESCTF have evaluated three silt fence options to determine possible shortcomings using standardized full-scale testing methods. These methods subject silt fence practices to simulated, in-field conditions typically experienced on-site without the variability of field testing or the limited application of small-scale testing. Three different silt fence practices were tested to evaluate performance, which included: (1 Alabama Department of Transportation (ALDOT Trenched Silt Fence, (2 ALDOT Sliced Silt Fence, and (3 Alabama Soil and Water Conservation Committee (AL-SWCC Trenched Silt Fence. This study indicates that the structural performance of a silt fence perimeter control is the most important performance factor in retaining sediment. The sediment retention performance of these silt fence practices was 82.7%, 66.9% and 90.5%, respectively. When exposed to large impoundment conditions, both ALDOT Trench and Sliced Silt Fence practices failed structurally, while the AL-SWCC Trenched Silt Fence did not experience structural failure.

  4. Water retention properties of stiff silt

    Directory of Open Access Journals (Sweden)

    Barbara Likar

    2017-06-01

    Full Text Available Recent research into the behaviour of soils has shown that it is in fact much more complex than can be described by the mechanics of saturated soils. Nowadays the trend of investigations has shifted towards the unsaturated state. Despite the signifiant progress that has been made so far, there are still a lot of unanswered questions related to the behaviour of unsaturated soils. For this reason, in the fild of geotechnics some new concepts are developed, which include the study of soil suction. Most research into soil suction has involved clayey and silty material, whereas up until recently no data have been available about measurements in very stiff preconsolidated sandy silt. Very stiff preconsolidated sandy silt is typical of the Krško Basin, where it is planned that some very important geotechnical structures will be built, so that knowledge about the behaviour of such soils at increased or decreased water content is essential. Several different methods can be used for soil suction measurements. In the paper the results of measurements carried out on very stiff preconsolidated sandy silt in a Bishop - Wesley double-walled triaxial cell are presented and compared with the results of soil suction measurements performed by means of a potentiometer (WP4C. All the measurement results were evaluated taking into account already known results given in the literature, using the three most commonly used mathematical models. Until now a lot of papers dealing with suction measurements in normal consolidated and preconsolidated clay have been published. Measurements on very stiff preconsolidated sandy silt, as presented in this paper were not supported before.

  5. Volumetric change of silts following cyclic loading.

    Science.gov (United States)

    2013-06-01

    Estimating the settlement of adjacent structures during pile installation in silts is a challenging problem for : practicing engineers. The current state-of-practice relies primarily on local case studies and monitoring efforts, such as : inclinomete...

  6. Identification and stabilization methods for problematic silt soils : a laboratory evaluation of modification and stabilization additives.

    Science.gov (United States)

    2003-07-01

    The instability and pumping response of non-plastic, high silt (and fine sand) soils was investigated. Common reagents, i.e., lime, lime-fly ash, Portland cement, and slag cement were included as admixtures with three high silt (and fine sand) soils....

  7. Derived equivalences induced by good silting complexes

    OpenAIRE

    Breaz, Simion; Modoi, George Ciprian

    2017-01-01

    Consider a (possibly big) silting object $U$ in a derived category over a (dg-)algebra $A$. Under some fairly general appropriate hypotheses, we show that it induces derived equivalences between the derived category over $A$ and a localization of the derived category of dg-endomorphism algebra $B$ of $U$. If, in addition, $U$ is small then this localization is the whole derived category over $B$.

  8. Late Quaternary fine silt deposits of Jammu, NW Himalaya: Genesis ...

    Indian Academy of Sciences (India)

    The deposits termed as 'Potwar loessic silt' comprising sandy silt are essentially of late Quaternary age (75–18 ka) and are re-looked herein from the point of view of genesis and climatic significance. The sorting, skewness and kurtosis parameters of fine silts of Jammu suggest fluvial environment of the deposits wherein the ...

  9. Investigation on the cohesive silt/clay-particle sediment via the coupled CFD-DEM simulations

    Science.gov (United States)

    Xu, S.; Sun, H.; Sun, R.

    2017-12-01

    Sedimentation of silt/clay particles happens ubiquitously in nature and engineering field. There have been abundant studies focusing on the settling velocity of the cohesive particles, while studies on the sediment deposited from silt/clay irregular particles, including the vertical concentration profile of sediment and the various forces among the deposited particles are still lacking. This paper aims to investigate the above topics by employing the CFD-DEM (Computational Fluid Dynamics-Discrete Element Method) simulations. In this work, we simulate the settling of the mono- and poly- dispersed silt/clay particles and mainly study the characteristics of the deposited cohesive sediment. We use the bonded particles to simulate the irregular silt/clay aggregates at the initial state and utilize the van der Waals force for all micro-particles to consider the cohesive force among silt/clay particles. The interparticle collision force and the fluid-particle interaction forces are also considered in our numerical model. The value of the mean structural density of cohesive sediment obtained from simulations is in good agreement with the previous research, and it is obviously smaller than no-cohesive sediment because of the existence of the silt/clay flocs. Moreover, the solid concentration of sediment increases with the growth of the depth. It is because the silt/clay flocs are more easily to break up due to the gradually increased submerged gravity of the deposited particles along the depth. We also obtain the noncontacted cohesive force and contact force profiles during the sedimentation and the self-weight consolidation process. The study of the concentration profile and the forces among silt/clay sediment will help to give an accurate initial condition for calculating the speed of the reconsolidation process by employing the artificial loads, which is necessary for practical designs of the land reclamation projects.

  10. Investigating the settling dynamics of cohesive silt particles with particle-resolving simulations

    Science.gov (United States)

    Sun, Rui; Xiao, Heng; Sun, Honglei

    2018-01-01

    The settling of cohesive sediment is ubiquitous in aquatic environments, and the study of the settling process is important for both engineering and environmental reasons. In the settling process, the silt particles show behaviors that are different from non-cohesive particles due to the influence of inter-particle cohesive force. For instance, the flocs formed in the settling process of cohesive silt can loosen the packing, and thus the structural densities of cohesive silt beds are much smaller than that of non-cohesive sand beds. While there is a consensus that cohesive behaviors depend on the characteristics of sediment particles (e.g., Bond number, particle size distribution), little is known about the exact influence of these characteristics on the cohesive behaviors. In addition, since the cohesive behaviors of the silt are caused by the inter-particle cohesive forces, the motions of and the contacts among silt particles should be resolved to study these cohesive behaviors in the settling process. However, studies of the cohesive behaviors of silt particles in the settling process based on particle-resolving approach are still lacking. In the present work, three-dimensional settling process is investigated numerically by using CFD-DEM (Computational Fluid Dynamics-Discrete Element Method). The inter-particle collision force, the van der Waals force, and the fluid-particle interaction forces are considered. The numerical model is used to simulate the hindered settling process of silt based on the experimental setup in the literature. The results obtained in the simulations, including the structural densities of the beds, the characteristic lines, and the particle terminal velocity, are in good agreement with the experimental observations in the literature. To the authors' knowledge, this is the first time that the influences of non-dimensional Bond number and particle polydispersity on the structural densities of silt beds have been investigated separately

  11. Strength and Stiffness of Stabilized Alluvial Silt under Frost Actions

    Directory of Open Access Journals (Sweden)

    Haibo Wang

    2017-01-01

    Full Text Available The Yellow River alluvial silt was stabilized into pavement base materials for cold regions. The stabilizing additives were cement, fly ash, and lime, which were included in a range of combinations and dosages when mixed with the silt. Freeze-thaw cyclic impacts were conducted on the treated samples to assess materials performance of withstanding the frost actions. The tests were conducted on samples cured for 7 days to up to 180 days. Test results show that the cement-fly ash-treated samples outperform the other two stabilization categories with respect to material strength and stiffness developed under both normal and frost conditions. Under the normal conditions, the material unconfined compressive (UC strength rises to 3.0 MPa on day 28 depending on the cement and fly ash dosage used. If subjected to frost actions, the fly ash inclusions warrant a residual UC strength value of 1.3 MPa and above. The antifrost performance of the cement-fly ash-treated samples is related to thermal buffer capacity of the fly ash particles. Water adsorption and material soundness results agree with the strength and stiffness development. An optimal dosage was 3–6% for the cement and 0.3 for cement to fly ash mass ratio.

  12. Physical Modelling of Silt in Relation to Offshore Wind Turbines

    DEFF Research Database (Denmark)

    Holmsgaard, Rikke

    between silty sand and sandy silt as well as between silty clay and clayey silt is often not simple to define. In addition, there is no worldwide consensus on the definition of silt. Part I of this thesis is, therefore, exploring the disagreement in classification of silt with the aim of assessing how...... by the dissipation process that initiates each time a SCPT reading is carried out (because the CPT is stopped), and so it is irrelevant whether the readings are taken approximately 1 or 5 minutes after the CPT is stopped. The three parts which form this Ph.D. thesis has led to a better understanding of conducting...

  13. Late Quaternary fine silt deposits of Jammu, NW Himalaya: Genesis ...

    Indian Academy of Sciences (India)

    pedal surfaces and rootlets cementing the silt mate- rial. The kankerisation and presence of rootlets suggest in situ soil formation, though incipient in nature. In sections exposed to the northwest. (Aknoor), fine silt deposits are strongly pedo- genised and bioturbated with both horizontal as well as vertical burrows. Thin lenses ...

  14. HIRENASD coarse unstructured

    Data.gov (United States)

    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

  15. Evaluation of filter fabrics for use in silt fences.

    Science.gov (United States)

    1980-01-01

    The study reported was initiated to develop tests simulating field conditions that could be used to develop information for the formulation of specifications for use in purchasing filter fabrics to be used to construct silt fences. Fifteen fabrics we...

  16. Silt: 2 62 μm, 9 4φ

    Science.gov (United States)

    Assallay, A. M.; Rogers, C. D. F.; Smalley, I. J.; Jefferson, I. F.

    1998-11-01

    The particles in finer-grained detrital sediments are usually composed of quartz. They fall into two size grades: sand (2 mm-62 μm) and silt (62 μm-2 μm). These size gradings conceal important geological processes since there are geological controls on both the quartz sand and silt populations. Sand nature is largely controlled by geochemical reactions, for example in cooling granite from which it is eventually released by weathering action. The quartz is among the last part of the rock system to solidify and the eutectic-like reaction which occurs ensures that the quartz exists as small crystalline units, each suffering considerable cooling and recrystallisation stresses. Silt is broken quartz, and has traditionally been considered to lack a specific geological control. The situation is confused by the large range of materials that fall into the size category, but there do seem to be distinguishable modes and possibly comminution limits within the 60 μm span. The controls operating in this size range are probably the critical concentration of `Moss' defects in the quartz particles. Moss postulated the formation of specific crystal defects in the quartz formed in granites. These affect sand formation and it is possible that they also control the mode size of silt particles. Within the silt range there may be several usefully definable populations, as Moss proposed for sand. The Quaternary appears to be a silt-rich period due to tectonic and glacial activity, but silt production is apparent throughout the sedimentary record. Very long-term silt producing processes are required. To produce silt in nature, on a large scale, very energetic processes are required. Many processes that are believed to generate silt particles have been listed. However, large-scale production is essentially due to glacial grinding, or to intense weathering processes in high, cold, tectonically active mountain regions. The region of High Asia (of crustal overlap) is a major generator of

  17. An ancient example of fluvial cave sediment derived from dust (eolian silt) infiltration

    Science.gov (United States)

    Evans, J. E.

    2011-12-01

    Silt-rich grain size distributions are geologically rare and typically eolian. Such sediments (and lithified equivalents) are called dust/dustites in a general case, or loess/loessite in the special case of eolian silts derived from glacial deposits. In both cases, silt-rich deposits require a source area of silt-sized materials, transport mechanisms (prevailing winds of sufficient energy) and one or more depositional mechanisms (such as trapping in the lee of topographic obstacles or adhesion to surfaces with moisture or vegetation). This study evaluates a third type of silt-rich geological deposit, paleo-cave sediments derived from mixtures of dust (eolian silt) and karst breccias. Cave sediments can be autochthonous (speleothems), parautochthonous (karst breccias), and allochthonous (such as fluvial cave sediments). The provenance of fluvial cave sediments is the landscape overlying the cave-karst system, and they are introduced to the cave-karst system by flood events. The Mississippian Leadville Limestone (SW Colorado) was subject to karst processes following Late Mississippian eustatic sea-level fall. These processes included formation of phreatic tubes, tower karst (kegelkarst), solution valleys (poljes), sinkholes (dolines), solution-enhanced joints (grikes), surficial flutes (rillenkarren), solution pans (kamenitzas), and breakout domes containing mosaic and crackle breccias. Flowstone, dripstone, and cave pearls are interbedded with karst breccias and fluvial cave sediments in the Leadville Limestone. The overlying Pennsylvanian Molas Formation is an eolian siltstone (dustite) with sediment sources from the peri-Gondwanan and Grenville rocks of eastern North America. Evidence that the fluvial cave sediments in the Leadville Limestone are derived from this dustite include compositional and textural matches, especially grain size distribution trends vertically downward from the former landscape surface. These grain size trends indicate infiltration of the

  18. Upper Pleistocene turbidite sand beds and chaotic silt beds in the channelized, distal, outer-fan lobes of the Mississippi fan

    Science.gov (United States)

    Nelson, C.H.; Twichell, D.C.; Schwab, W.C.; Lee, H.J.; Kenyon, Neil H.

    1992-01-01

    Cores from a Mississippi outer-fan depositional lobe demonstrate that sublobes at the distal edge contain a complex local network of channelized-turbidite beds of graded sand and debris-flow beds of chaotic silt. Off-lobe basin plains lack siliciclastic coarse-grained beds. The basin-plain mud facies exhibit low acoustic backscatter on SeaMARC IA sidescan sonar images, whereas high acoustic backscatter characteristic of the lobe sand and silt facies. The depth of the first sand-silt layer correlates with relative backscatter intensity and stratigraphic age of the distal sublobes (i.e., shallowest sand = highest backscatter and youngest sublobe). The high proportion (>50%) of chaotic silt compared to graded sand in the distal, outer-fan sublobes may be related to the unstable, muddy, canyon-wall source areas of the extensive Mississippi delta-fed basin slope. A predominace of chaotic silt in cores or outcrops from outer-fan lobes thus may predict similar settings for ancient fans.

  19. A study on the characteristics of silt loading on paved roads in the Seoul metropolitan area using a mobile monitoring system.

    Science.gov (United States)

    Han, Sehyun; Jung, Yong-Won

    2012-07-01

    This study is considered the first attempt to apply a mobile monitoring system to estimating silt loading on paved roads in a megacity such as the Seoul metropolitan area. Using a mobile monitoring system developed in 2005, we estimated silt loadings on representative paved roads in the Seoul metropolitan area, including the city of Incheon, over a period of 3 yr. The temporal and spatial characteristics of silt loading were investigated for the carefully selected roads that may reflect the characteristics of the cities of Seoul and Incheon. In this study, changes in the average silt loading values were investigated in terms of land use, the temporal resolution of data acquisition (i.e., seasonal, daily, three-hour scale), the road width or number of lanes, and rainfall, which may affect the characteristics of the average silt loading significantly. It was found that the advantages of using the mobile monitoring system are its ability to obtain a large quantity of silt loading data in a short period of time and over a wide area and its ability to create a silt loading map showing the relative magnitude of silt loading in relation to a specific location, which makes it possible to easily locate hot spots.

  20. Water flow and nitrate leaching in a layered silt loam

    NARCIS (Netherlands)

    Vos, J.A.; Hesterberg, D.L.R.; Raats, P.A.C.

    2000-01-01

    Nitrate (NO3) leaching was studied for a winter leaching period in a layered calcareous silt loam with tile-drains at about 1-m depth and 12-m spacing. Groundwater levels, drain discharge rates, and NO3 concentrations in the drainage water were monitored, and the soil hydraulic characteristics were

  1. Silt fences: An economical technique for measuring hillslope soil erosion

    Science.gov (United States)

    Peter R. Robichaud; Robert E. Brown

    2002-01-01

    Measuring hillslope erosion has historically been a costly, time-consuming practice. An easy to install low-cost technique using silt fences (geotextile fabric) and tipping bucket rain gauges to measure onsite hillslope erosion was developed and tested. Equipment requirements, installation procedures, statistical design, and analysis methods for measuring hillslope...

  2. The art of screening : Effectiveness of silt screens

    NARCIS (Netherlands)

    Radermacher, M.; Van der Goot, F.; Rijks, D.C.; De Wit, L.

    2013-01-01

    One of the potential environmental issues associated with dredging in the marine environment is the increase of suspended sediment concentrations (SSC) by generation and dispersion of sediment plumes. This can be mitigated by source control or by the installation of containment barriers like silt

  3. Utilising Fine and Coarse Recycled Aggregates from the Gulf Region in Concrete

    Science.gov (United States)

    Jones, M. Rod; Halliday, Judith E.; Csetenyi, Laszlo; Zheng, Li; Strompinis, N.

    This paper explores the feasibility in utilising materials generated from C&DW to produce a `green' concrete. The two materials that are considered here are, (i) up-sizing silt-size material generated from recycled aggregates to produce a synthetic silt-sand and (ii) processed recycled coarse aggregates (RA) sourced from a Gulf Region landfill site. The work has demonstrated that there is potential for utilising silt wastes into foamed concrete, which can then be crushed to a sand-sized material suitable for use in concrete, however the porous nature of the material has highlighted that the water demand of this RA is high. RAs were characterised to BS EN 12620 and found suitable for use in concrete. The effect of RA on concrete properties is minimal when used up to 35% replacement levels, provided that they are pre-soaked.

  4. A preliminary investigation of silt motion with activable stable isotope tracers

    International Nuclear Information System (INIS)

    Ma Jianguo; Chai Zhifang; Mao Xueying; Ma Shulan

    1990-01-01

    A preliminary investigation of silt motion in Shantou Harbor region has been made by using neutron activation analysis of natural activable stable isotopes in silt. More than 20 elements in suspending and bed silt at different sites were determined. Data analysis and computer-based fitting calculation indicated that all of the suspending silt samples analyzed were of the same origin, i.e. Xinjinxi River outlet and about 37% of the bed silt at the Wailanjiangsha channel is composed of the deposit of suspending silt

  5. Strontium 90 in silts of the Dnieper cascade water reservoirs

    International Nuclear Information System (INIS)

    Romanenko, V.D.; Kuz'menko, M.I.; Matvienko, L.P.; Klenus, V.G.; Nasvit, O.I.

    1989-01-01

    The change of strontium-90 content in water and silts of the Dnieper cascade water reservoirs was analyzed. It was shown, that decrease of strontium-90 content in water in time connected basically with ion exchange adsorption of strontium-90 by residues. A high sorption ability of residues made it possible for radioisotopes to reduce sharply their concentration along depth of soils. The highest concentration of radioisotopes was in the upper layers, enriched by silt. It was ascertained, that strontium-90 migration along depth of residues took place rapidly in the Kiev's water reservoir. Down the cascade strontium-90 content reduced in lower layers of residues as well as in upper layers. 4 tabs

  6. Coarse Graining Shannon and von Neumann Entropies

    Directory of Open Access Journals (Sweden)

    Ana Alonso-Serrano

    2017-05-01

    Full Text Available The nature of coarse graining is intuitively “obvious”, but it is rather difficult to find explicit and calculable models of the coarse graining process (and the resulting entropy flow discussed in the literature. What we would like to have at hand is some explicit and calculable process that takes an arbitrary system, with specified initial entropy S, and that monotonically and controllably drives the entropy to its maximum value. This does not have to be a physical process, in fact for some purposes it is better to deal with a gedanken-process, since then it is more obvious how the “hidden information” is hiding in the fine-grain correlations that one is simply agreeing not to look at. We shall present several simple mathematically well-defined and easy to work with conceptual models for coarse graining. We shall consider both the classical Shannon and quantum von Neumann entropies, including models based on quantum decoherence, and analyse the entropy flow in some detail. When coarse graining the quantum von Neumann entropy, we find it extremely useful to introduce an adaptation of Hawking’s super-scattering matrix. These explicit models that we shall construct allow us to quantify and keep clear track of the entropy that appears when coarse graining the system and the information that can be hidden in unobserved correlations (while not the focus of the current article, in the long run, these considerations are of interest when addressing the black hole information puzzle.

  7. Effects of size and concentration of silt particles on flow and performance of a centrifugal pump under cavitating conditions

    Science.gov (United States)

    Zhao, Weiguo; Han, Xiangdong; Li, Rennian; Zheng, Yingjie; Wang, Yanyan

    2017-12-01

    To research effects of silt particles on the performance and cavitation flow fields, silt-laden cavitation flow was simulated in the centrifugal pump. Silt mean diameters are 0.005 mm and 0.010 mm and silt concentrations are 0.5% and 1.0%. Results show that silt particles with silt mean diameter 0.005 mm and silt concentration 1.0% and silt particles with silt mean diameter 0.010 mm and silt concentration 0.5% promote the development of cavitation and distribution range of vapor is larger than pure water. Effects of silt particles and cavitation make distribution range of turbulent kinetic energy larger than pure water and streamlines are more disorderedly. Silt particles with silt mean diameter 0.010 mm and silt concentration 1.0% have little effect on cavitation and distribution range of vapor is similar with pure water. Effects of silt particles make distribution range of turbulent kinetic energy larger than pure water and streamlines are more disorderedly than pure water. With the increase of silt mean diameter and silt concentration, head and efficiency decrease gradually. For silt particles promoting the evolution of cavitation, distribution range of turbulent kinetic energy is larger and streamlines are more disorderly than silt-laden cavitation flow with silt particles inhibiting the development of cavitation.

  8. Milestoning with coarse memory

    Science.gov (United States)

    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.

  9. Thermal conductivity tests on buffermasses of bentonite/silt

    International Nuclear Information System (INIS)

    Knutsson, S.

    1977-09-01

    The investigation concerns the thermal conductivity of the bentonite/quartz buffer mass suggested as embedding substance for radioactive canisters. The first part presents the theoretical relationships associated with the various heat transfer mechanisms in moist granular materials. Chapter 3 describes the author's experimental determination of the thermal conductivity of the buffer mass. The tested mass consisted of 10 percent (by weight) bentonite and 90 percent natural silt. Four tests were made with different water content values and degree of water saturation. A comparison between the measured and calculated thermal conductivities is given. It is shown that the conductivity can be calculated with an accuracy of +-20 percent. (author)

  10. Physical Modelling of Silt in Relation to Offshore Wind Turbines

    DEFF Research Database (Denmark)

    Holmsgaard, Rikke

    drained conditions. Normally, CPTs are carried out at a penetration rate of 20 mm/s. This rate yields undrained conditions in clays and drained conditions in sands. In silt, a penetration rate of 20 mm/s yields partially drained conditions, giving rise to interpretation difficulties since existing...... by the dissipation process that initiates each time a SCPT reading is carried out (because the CPT is stopped), and so it is irrelevant whether the readings are taken approximately 1 or 5 minutes after the CPT is stopped. The three parts which form this Ph.D. thesis has led to a better understanding of conducting...

  11. Lithostratigraphic analysis of sand and silt facies from NGHP 01 gas hydrate accumulations in the Krishna-Godavari Basin

    Science.gov (United States)

    Rose, K. K.; Boswell, R. M.; Johnson, J.; Nghp 01, S.

    2008-12-01

    In 2006, an international effort led by the Indian National Gas Hydrate Program (NGHP) and the U.S. Geological Survey conducted the first large-scale exploration of gas hydrate accumulations. Seven sites were drilled within the Krishna-Godavari (KG) basin, a large syn-tectonic rift basin off the eastern shore of India, with the deepest hole penetrating ~300 mbsf. The sedimentary section in the KG basin includes up to 7 kilometers of Late Carboniferous to Holocene sediments from which commercial oil and natural gas production has been established. Detailed lithologic descriptions and physical properties measurements obtained from cores were combined with electrical log data to characterize the sedimentology and stratigraphy at each site. Our analyses indicate that sediments within the Gas Hydrate stability zone (GHSZ) in the KG basin record a Quaternary (sand beds and lamina (1-5 cm thick) were also observed as well as visible terrestrial organic material. The most pervasive mode of gas hydrate occurrence observed during NGHP-01 in the KG basin sites were disseminated hydrates in low-permeability silt-clay facies. Secondary gas hydrate accumulations were recovered in fracture fill, nodular and lens-like occurrences, or as pore-filling cement in the more permeable sand-silt beds and lamina. Thin sand beds and lamina were recovered at 6 of the 7 sites in the KG basin. ~330 sand beds were reported for all 6 sites with a typical bed thickness of ~3 cm. Net sand to gross sediment ratios ranged from 0.026 to 0.405. No major sand beds (>1 m thick) were recovered at any of the sites. Underlying the GHSZ in the KG basin are Pliocene and Pleistocene age sediments deposited during low-stand conditions. However, rising sea-level from the late Pleistocene to the present resulted in a gradual decrease in the volume of coarse grained material transported across the shelf, and slope related deposition during the Holocene has largely been controlled by episodic failure of shelf

  12. Effects of anthropogenic silt on aquatic macroinvertebrates and abiotic variables in streams in the Brazilian Amazon

    Energy Technology Data Exchange (ETDEWEB)

    Couceiro, Sheyla Regina Marques; Hamada, Neusa [Inst. Nacional de Pesquisas da Amazonia, Coordenacao de Pesquisas em Entomologia, Manaus, AM (Brazil); Forsberg, Bruce Rider [Inst. Nacional de Pesquisas da Amazonia, Coordenacao de Pesquisas em Entomologia, Manaus, AM (Brazil); Inst. Nacional de Pesquisas da Amazonia, Coordenacao de Pesquisas em Ecologia, Manaus, AM (Brazil); Padovesi-Fonseca, Claudia [Univ. de Brasilia, Dept. de Ecologia, Brasilia, DF (Brazil)

    2010-01-15

    Purpose: While environmental risks associated with petroleum extraction such as oil spills or leaks are relatively well known, little attention has been given to the impacts of silt. The increase in petroleum exploitation in Amazonia has resulted in sediment input to aquatic systems, with impacts on their biodiversity. Here we use a combination of field measurements and statistical analyses to evaluate the impacts of anthropogenic silt derived from the construction of roads, borrow pits, and wells during the terrestrial development of gas and oil, on macroinvertebrate communities in streams of the Urucu Petroleum Province in the Central Brazilian Amazon. Material and methods: Ten impacted and nine non-impacted streams were sampled in January, April, and November of 2007. Macroinvertebrates were sampled along a 100-m continuous reach in each stream at 10-m intervals using a dip net. Abiotic variables including, a siltation index (SI), suspended inorganic sediment (SIS), sediment color index (SCI), suspend organic sediment (SOS), pH, electrical conductivity, dissolved oxygen, temperature, water velocity, channel width, and depth, were measured at three equidistant points in each stream ({proportional_to}30-m intervals). Results and discussion: SI did not differ between impacted and undisturbed streams. SIS was higher and SCI lower (more reddish) in impacted than in non-impacted streams. SCI had a positive and SIS a negative effect on both macroinvertebrate richness and density. SIS and SCI also influenced macrophyte taxonomic composition. In impacted streams, taxonomic richness and density were 1.5 times lower than in non-impacted streams. No taxon was significantly associated with impacted streams. SIS was positively correlated with SOS and electrical conductivity while SCI was negatively correlated with SOS, electrical conductivity, and pH. The lack of difference in SI between impacted and nonimpacted streams suggests that anthropogenic sediment does not accumulate

  13. Assessment of Silt Density Index (SDI) as Fouling Propensity Parameter in Reverse Osmosis Desalination

    KAUST Repository

    Rachman, Rinaldi

    2011-07-01

    Reverse osmosis operations are facing persistent fouling phenomenon that has challenged the integrity of these processes. Prediction of fouling potential by measuring a fouling index toward feed water is essential to ensure robust operation. Moreover, employing a reliable fouling index with good reproducibility and precision is necessary. Silt density index (SDI) is considered insufficient in terms of reliability and empirical theory, among other limitations. Nevertheless due its simplicity, SDI measurement is utilized extensively in RO desalination systems. The aim of this research is to assess the reliability of SDI. Methods include the investigation of different SDI membranes and study of the nature of the SDI filtration. Results demonstrate the existence of the membrane properties\\' variation within manufacturers, which then causes a lack of accuracy in fouling risk estimation. The nature of particles during SDI filtration provides information that particle concentration and size play a significant role on SDI quantification with substantial representation given by particles with size close to membrane nominal pore size. Moreover, turbidity assisted SDI measurements along with determination of UF pretreated and clean water fouling potential, establishes the indication of non-fouling related phenomena involved on SDI measurement such as a natural organic matter adsorption and hydrodynamic condition that alters during filtration. Additionally, it was found that the latter affects the sensitivity of SDI by being represented by some portions of SDI value. Keywords: Reverse Osmosis, Fouling index, Particulate Fouling, Silt Density Index (SDI), and Assessment of SDI.

  14. Migration of cesium-137 through sandy soil layer effect of fine silt on migration

    International Nuclear Information System (INIS)

    Ohnuki, Toshihiko; Wadachi, Yoshiki

    1983-01-01

    The migration of 137 Cs through sandy soil layer was studied with consideration of the migration of fine silt by column method. It was found that a portion of fine silt migrated through the soil layer accompanying with 137 Cs. The mathematical migration model of 137 Cs involved the migration of fine silt through such soil layer was presented. This model gave a good accordance between calculated concentration distribution curve in sandy soil layer and effluent curve and observed those. So, this model seems to be advanced one for evaluating migration of 137 Cs in sandy soil layer with silt. (author)

  15. Experimental testing of a SAG digital SILT application

    International Nuclear Information System (INIS)

    Haapanen, P.; Maskuniitty, M.; Heikkinen, J.; Korhonen, J.

    1995-10-01

    A prototype dynamic testing harness for programmable automation systems has been specified and implemented at the Technical Research Centre of Finland (VTT). In order to get experience on the methodology and equipment for the testing of systems important to the safety of nuclear power plants, where the safety and reliability requirements often are very high, two different pilot systems have been tested. One system was an ABB Master application, which was loaned for testing from ABB Atom by Teollisuuden Voima Oy (TVO). Another system, loaned from Siemens AG(SAG) by IVO International Oy (IVO), was an application realized with SAG's digital SILT technology. The report describes the testing of the SAG application. The purpose of the testing was not to assess the pilot system, but to get experience in the testing methodology and find out the further development needs and potentials of the test methodology and equipment. The experience show that dynamic testing is one feasible way to get more confidence about the safety and reliability of a programmable system that would be hard to achieve by other means. It also shows that more development of the test harness is still needed, especially concerning the comparison of the obtained test response to the expected response provided by the logical model of the system. Also the user interface of the on-line part of the test harness needs development. Methods for generation of the test cases also need further development eg. for achieving statistical significance for the reliability estimates. (10 refs., 90 figs., 9 tabs.)

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

    DEFF Research Database (Denmark)

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

    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), 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 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...

  17. Geopolymerisation of silt generated from construction and demolition waste washing plants.

    Science.gov (United States)

    Lampris, C; Lupo, R; Cheeseman, C R

    2009-01-01

    Recycling plants that size, sort and wash construction and demolition waste can produce high quality aggregate. However, they also produce up to 80ton per hour of filter cake waste containing fine (waste and normally landfilled. This research investigated the potential to form geopolymers containing silt, which would allow this problematic waste to be beneficially reused as aggregate. This would significantly improve the economic viability of recycling plants that wash wastes. Silt filter cakes have been collected from a number of aggregate washing plants operating in the UK. These were found to contain similar aluminosilicate crystalline phases. Geopolymer samples were produced using silt and silt mixed with either metakaolin or pulverised fuel ash (PFA). Silt geopolymers cured at room temperature had average 7-day compressive strengths of 18.7MPa, while partial substitution of silt by metakaolin or PFA increased average compressive strengths to 30.5 and 21.9MPa, respectively. Curing specimens for 24h at 105 degrees C resulted in a compressive strength of 39.7MPa and microstructural analysis confirmed the formation of dense materials. These strengths are in excess of those required for materials to be used as aggregate, particularly in unbound applications. The implications of this research for the management of waste silt at construction and demolition waste washing plants are discussed.

  18. Analysis of silt abrasion of the impeller ring in a centrifugal pump with J-grooves

    Science.gov (United States)

    Qian, Z. D.; Wang, Z. Y.; Guo, Z. W.; Dong, J.; Lu, J.

    2016-05-01

    The water flow and movement of silt in a prototype double-suction centrifugal pump was simulated using an Euler-Lagrange multiphase flow model. J-Grooves were adopted to protect the impeller ring from silt abrasion. The influence of J-grooves on the silt concentration and pump efficiency was analyzed. The results show that the radial component of the relative velocity around the impeller ring is too low to move the silt out of the spacing between the impeller plate and the casing. The high silt concentration around the impeller ring is the major contributor to silt abrasion of the impeller ring. The J-grooves induce two strong vortices, which increase the radial component of the relative velocity of water and reduce the silt concentration around the impeller ring, but additional friction losses are introduced and the pump efficiency is decreased. Optimization of the number and shape of J-grooves decreases losses in the efficiency of the pump, and effectively protects the impeller ring. Case 4 was found the most effective configuration in this study.

  19. Transport of atrazine and dicamba through silt and loam soils

    Science.gov (United States)

    Tindall, James A.; Friedel, Michael J.

    2016-01-01

    The objectives of this research were to determine the role of preferential flow paths in the transport of atrazine (2-chloro-4-(ethylamino)-6-(isopropylamino)-s-triazine) and dicamba (3-6-dichloro-2-methoxybenzoic acid) through silt and loam soils overlying the High Plains aquifer in Nebraska. In a previous study, 3 of 6 study areas demonstrated high percentages of macropores; those three areas were used in this study for analysis of chemical transport. As a subsequent part of the study, 12 intact soil cores (30-cm diameter by 40-cm height), were excavated sequentially, two from each of the following depths: 0-40cm and 40-80cm. These cores were used to study preferential flow characteristics using dye staining and to determine hydraulic properties. Two undisturbed experimental field plots, each with a 3-m2 surface area, were installed in three study areas in Nebraska. Each was instrumented with suction lysimeters and tensiometers at depths of 10cm to 80cm in 10-cm increments. Additionally, each plot was planted with corn (Zea mays). A neutron probe access tube was installed in each plot to determine soil w ater content at 15-cm intervals. All plots were enclosed w ith a raised frame (of 8-cm height) to prevent surface runoff. All suction lysimeters were purged monthly for three months and were sampled immediately prior to pre-plant herbicide application to obtain background chemical concentrations. Atrazine and dicamba moved rapidly through the soil, but only after a heavy rainfall event, probably owing to the presence of preferential flow paths and lack of microbial degradation in these soil areas. Staining of laboratory cores showed a positive correlation between the percent area stained by depth and the subsequent breakthrough of Br- in the laboratory and leaching of field-applied herbicides owing to large rainfall events. Suction lysimeter samples in the field showed increases in concentrations of herbicides at depths where laboratory data indicated greater

  20. Coarse-graining complex dynamics

    DEFF Research Database (Denmark)

    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-tailed distribu......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...

  1. Researches on the Constitutive Models of Artificial Frozen Silt in Underground Engineering

    Directory of Open Access Journals (Sweden)

    Yugui Yang

    2014-01-01

    Full Text Available The researches on the mechanical characteristic and constitutive models of frozen soil have important meanings in structural design of deep frozen soil wall. In the present study, the triaxial compression and creep tests have been carried out, and the mechanical characteristic of frozen silt is obtained. The experiment results show that the deformation characteristic of frozen silt is related to confining pressure under conventional triaxial compression condition. The frozen silt presents strain softening in shear process; with increase of confining pressure, the strain softening characteristic gradually decreases. The creep curves of frozen silt present the decaying and the stable creep stages under low stress level; however, under high stress level, once the strain increases to a critical value, the creep strain velocity gradually increases and the specimen quickly happens to destroy. To reproduce the deformation behavior, the disturbed state elastoplastic and new creep constitutive models of frozen silt are developed. The comparisons between experimental results and calculated results from constitutive models show that the proposed constitutive models could describe the conventional triaxial compression and creep deformation behaviors of frozen silt.

  2. Pretreatment of turkey fat-containing wastewater in coarse sand and gravel/coarse sand bioreactors.

    Science.gov (United States)

    Gaur, Rashmi Singh; Cai, Ling; Tuovinen, Olli H; Mancl, Karen M

    2010-02-01

    Fat, oil and grease in wastewater can be difficult to treat because of their slow decomposition. Traditional pretreatment facilities to remove fat, oil and grease from wastewater are increasingly costly. The hypothesis in this study was that pretreatment of animal fat-containing wastewater in sand and sand/gravel filters facilitates the conversion of slowly degradable organic matter measured as the difference between chemical oxygen demand (COD) and 5-day biochemical oxygen demand (BOD(5)) for subsequent biological treatment. The pretreatment was evaluated using simulated turkey-processing wastewater and coarse sand and sand/gravel filters at a constant hydraulic loading rate of 132L/m(2)/day. Two types of fixed media reactors were employed: (i) one set with a varying depth of coarse sand, and (ii) the second was similar but with an additional pea gravel cap. The results indicated that the relative removal of COD was slightly improved in the sand bioreactors with a pea gravel cap irrespective of the depth of coarse sand, but partial conversion to BOD(5) was not consistently demonstrated. Pea gravel may act as a sieve to entrap organic matter including fat globules from the wastewater. Multiple dosing at the same daily loading rate slightly improved the treatment efficiency of the sand bioreactors. The ratios of influent-COD/effluent-COD were always greater than 1.0 following a change in the dosing frequency after a rest period, suggesting that organic matter, specifically fat globules in this case, was retained by the column matrix.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  4. Recycled Coarse Aggregate Produced by Pulsed Discharge in Water

    Science.gov (United States)

    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.

  5. Testing Re-entrained Aerosol Kinetic Emissions from Roads : a new approach to infer silt loading on roadways

    Science.gov (United States)

    Kuhns, H.; Etyemezian, V.; Landwehr, D.; MacDougall, C.; Pitchford, M.; Green, M.

    PM 10 and PM 2.5 emissions from roadways are currently estimated using the silt loading on the road surface as a surrogate for the emissions potential of road dust. While the United States Environmental Protection Agency prescribes this method in AP-42, there is considerable cost associated with silt loading measurements; it is feasible to sample only a small portion of a roadway network. A new approach for measuring the concentration of suspendable PM 10 above road surfaces has been developed to obtain a more spatially representative estimate of a road's potential to emit dust. The Testing Re-entrained Aerosols Kinetic Emissions from Roads (TRAKER) system uses real-time aerosol sensors mounted on a vehicle to measure the concentration of dust suspended from the road while the vehicle is in motion. When coupled with a Global Positioning System (GPS) instrument, TRAKER can be used to efficiently survey the changes in suspendable particles due to varying road conditions over a large spatial domain. In a recent study on paved roads in Las Vegas, the TRAKER system was compared with collocated silt loading measurements. The TRAKER system was also used to survey the relative amounts of suspendable road dust on approximately 300 miles of paved roads. The system provides a unique perspective on road dust sources and their spatial distribution. Results of this study indicated that the difference of the PM 10 concentrations measured behind the tire and on the hood is exponentially related to vehicle speed. This was an interesting finding because current AP-42 road dust emissions estimation methods do not include vehicle speed as a factor in the emissions calculations. The experiment also demonstrated that the distribution of suspendable material on roadways is highly variable and that a large number of samples are needed to represent road dust emissions potential on an urban scale for a variety of road and activity conditions.

  6. Chemical pretreatments for improving the radiocarbon dates of peats and organic silts in a gley podzol environment : Grahams Terrace, north Westland

    International Nuclear Information System (INIS)

    Hammond, A.P.; Goh, K.M.; Tonkin, P.J.; Manning, M.R.

    1991-01-01

    Radiocarbon dates obtained for peats and organic silts from the high rainfall/leaching environment of North Westland have been shown to conflict with known stratigraphic evidence by yielding anomalously young dates. This study examines the effectiveness of 14 chemical pretreatment methods, including classical humus fractionation of soil organic matter, hydrolysis with mineral acids (6 M HCl and 70% HNO 3 ), and extraction of lipids and cellulose, in removing young carbon contaminants from peat and organic silt samples prior to radiocarbon assay. The criterion chosen for judging the effectiveness of a treatment in removing young contaminants is an increase in 14 C age, with the assumption that contamination is largely due to young carbon. Chemical pretreatments were undertaken on peat and organic silt samples taken immediately above (5-0 cm) and below (0-5 cm) a layer of Kawakawa Tephra found at Grahams Terrace in North Westland. Radiocarbon dates, obtained by accelerator mass spectrometer (AMS), showed that most of the pretreatments and their extracts improved the 14 C ages compared with untreated samples. The hydrolysis of peat and organic silt samples with 70% HNO 3 and dating the resultant residue produced significantly increased 14 C dates (c. 6000 years) with respect to untreated samples. The major conclusion from this study is that existing radiocarbon dates of 12,000 yr B.P. and older, on peats and organic silts from gley podzol environments, are contaminated by younger, less stable, more mobile carbon, such as fulvic and humic acid fractions. (author). 20 refs., 1 fig., 1 tab

  7. Concretes with red mud coarse aggregates

    Directory of Open Access Journals (Sweden)

    Dênio Ramam Carvalho de Oliveira

    2012-06-01

    Full Text Available Red mud (RM is a mineral waste, residue of the Bayer process used to obtain alumina from bauxite. While the exploration of rolled pebble damages the environment and is much more controlled by the government, the huge RM disposal areas do not stop increasing and polluting soil, rivers and groundwater sources in Amazon. In this work, the material mixtures used to produce coarse aggregates presented up to 80% of RM, 30% of metakaolin and 30% of active silica as recycled waste. Several tests were carried out to determine the aggregates physical properties and to evaluate the mechanical performance of the concretes with the new aggregates, including hydraulic abrasion strength, and the results were compared to the reference ones, i.e. rolled pebble concretes. Additionally, the sintering process neutralizes any toxic substance as occur in some RM products like tiles and bricks, and these results have encouraged an industrial or semi-industrial production of RM aggregates for concretes.

  8. The MARTINI coarse-grained force field : Extension to proteins

    NARCIS (Netherlands)

    Monticelli, Luca; Kandasamy, Senthil K.; Periole, Xavier; Larson, Ronald G.; Tieleman, D. Peter; Marrink, Siewert-Jan

    Many biologically interesting phenomena occur on a time scale that is too long to be studied by atomistic simulations. These phenomena include the dynamics of large proteins and self-assembly of biological materials. Coarse-grained (CG) molecular modeling allows computer simulations to be run on

  9. Coarse particles-water mixtures flow in pipes

    Czech Academy of Sciences Publication Activity Database

    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)

  10. Coarse particles-water mixtures flow in pipes

    Czech Academy of Sciences Publication Activity Database

    Vlasák, Pavel

    2017-01-01

    Roč. 225, č. 2017 (2017), s. 338-341 ISSN 2411-3336 R&D Project s: 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)

  11. Learning to Play Efficient Coarse Correlated Equilibria

    KAUST Repository

    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.

  12. Turnover of intra- and extra-aggregate organic matter at the silt-size scale

    Science.gov (United States)

    I. Virto; C. Moni; C. Swanston; C. Chenu

    2010-01-01

    Temperate silty soils are especially sensitive to organic matter losses associated to some agricultural management systems. Long-term preservation of organic C in these soils has been demonstrated to occur mainly in the silt- and clay-size fractions, although our knowledge about the mechanisms through which it happens remains unclear. Although organic matter in such...

  13. Influence of wood-derived biochar on the compactibility and strength of silt loam soil

    Science.gov (United States)

    Ahmed, Ahmed; Gariepy, Yvan; Raghavan, Vijaya

    2017-04-01

    Biochar is proven to enhance soil fertility and increase crop productivity. Given that the influence of biochar on soil compaction remains unclear, selected physico-mechanical properties of soil amended with wood-derived biochar were assessed. For unamended silt loam, the bulk density, maximum bulk density, optimum moisture content, plastic limit, liquid limit, and plasticity index were 1.05 Mg m-3, 1.69 Mg m-3, 16.55, 17.1, 29.3, and 12.2%, respectively. The penetration resistance and shear strength of the unamended silt loam compacted in the standard compaction Proctor mold and at its optimum moisture content were 1800 kPa and 850 kPa, respectively. Results from amending the silt loam with 10% particle size ranges (0.5-212 μm) led to relative decreases of 18.1, 17.75, 66.66, and 97.4% in bulk density, maximum bulk density, penetration resistance, and shear strength, respectively; a 26.8% relative increase in optimum moisture content; along with absolute increases in plastic limit, liquid limit, and plasticity index of 5.3, 13.7, and 8.4%, respectively. While the biochar-amended silt loam soil was more susceptible to compaction, however, soil mechanical impedance enhanced.

  14. Interpretation of Piezocones in Silt, Using Cavity Expansion and Critical State Methods

    DEFF Research Database (Denmark)

    Bakmar, Christian LeBlanc; Randolph, M. F.

    2008-01-01

    to differ significantly from those obtained by investigating intact samples in the triaxial apparatus. Use of the state parameter y in conjunction with the critical state line provides a precise definition for the state of silt, and thereby important aspects, such as resistance to cyclic liquefaction...

  15. Studies for determining drain solid flow in bed silt, using radioisotope techniques

    International Nuclear Information System (INIS)

    Sanchez, W.

    1976-01-01

    A process for measuring solid flow in silt bed using isotopic technique is studied. Comparative studies for initial movement of grinded glass grains and sand grains is done. The development for determining the minimum mass of radioative grains of sand, used for flow evaluation is also studied. Further experiments in the field of reference confirm technological conditions for the method [pt

  16. Evaluation of cyclic resistance of providence silts using mini-cone penetration and standard penetration tests.

    Science.gov (United States)

    2010-12-01

    Most areas of coastal Rhode Island are underlain by thick layers of non-plastic silt and it is important to : know if the existing standard-of-practice liquefaction potential evaluations (e.g. Robertson and Wride (1998) or : Seed et al. (1985)) are a...

  17. NEW RSW & Wall Coarse Tet Only Grid

    Data.gov (United States)

    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=...

  18. NEW RSW & Wall Coarse Mixed Element Grid

    Data.gov (United States)

    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...

  19. Fault creep and stress drops in saturated silt-clay gouge

    International Nuclear Information System (INIS)

    Bombolakis, E.G.; Hepburn, J.C.; Roy, D.C.

    1978-01-01

    An analysis of physicochemical processes in saturated silt-clay gouge indicates that this type of fault zone material can account for for the following phenomena: (1) the nonlinear mechanical behavior indicated by certain geophysical measurements along the San Andreas fault zone, (2) the low stress drops associated with earthquakes to several kilometers' depth, and (3) the recurrence of creep-induced instabilities at shallow depths along fault zones. A rheological model is described for a gouge consisting of colloidal size clay platelets with absorbed water, brittle silt size particles, and 'free' pore water. Recurrence of shallow earthquakes or accelerated creep is explained in the model by thixotropic hardening of the colloidal phase following shear deformation, i.e., by electrochemical reorientation of clay platelets from a dispersed structure to a face-to-edge type of structure during a quiescent period. The silt phase must support part of the effective mean stress for thixotropic hardening to occur at several kilometers' depth. The peak shear strength of the gouge in this case is expressed in functional form by S/sub p/=f[kappaP/sub e/+sigma-bar/sub c/ tan psi/sub e/; sigma-bar/sub s/ tan psi/sub s/], where kappa, P/sub e/, and psi/sub e/ are Hvorslev parameters; sigma-bar/sub c/ is the effective stress in the colloidal phase, acting normal to the shear zone; sigma-bar/sub s/ is the effective stress in the silt phase, acting normal to the shear zone; and psi/sub s/ is the 'friction angle' of the silt phase. The peak shear strength is time dependent owing to viscous type contacts between absorbed water layers surrounding the colloidal platelets. The time-dependent nature of S/sub p/ may be responsible for certain nonlinear behavior noted in fault zones and for the small stress drops associated with earthquakes occurring at several kilometers' depth

  20. Mineralogia, química e estabilidade de agregados do tamanho de silte de solos da Região Sudeste do Brasil Mineralogy, chemistry and stability of silt-size aggregates of soils from the Southeast Region of Brazil

    Directory of Open Access Journals (Sweden)

    Antonio Carlos Tadeu Vitorino

    2003-01-01

    Full Text Available Com o objetivo de avaliar a relação da composição mineralógica e química do solo com a estabilidade de agregados do tamanho de silte, foram realizados estudos utilizando-se amostras de horizontes A e B de diversos solos da Região Sudeste do Brasil. Amostras de TFSA foram dispersas a 12.000 rpm por 20 minutos e a fração silte foi separada por esgotamento da fração argila, constituindo-se na fração denominada pseudo-silte, a qual foi sonificada, separando-se a fração argila desagregada (por sifonamento da fração silte propriamente dita. Estudos de correlação mostraram que as composições mineralógica e química dos solos têm efeito marcante na dispersão de argila, com reflexos na fração silte. Maiores teores de gibbsita refletem em maior estabilidade dos agregados do tamanho de silte ao passo que a caulinita proporciona efeito inverso. As formas de Al determinadas na fração pseudo-silte estão associadas à maior dificuldade de dispersão da fração argila dos solos.The objective of this work was to evaluate the relationship of soil mineralogical and chemical composition with stability of silt-size aggregates. The studies were carried out using samples of A and B horizons of some soils from the Southeast Region of Brazil. Fine-earth samples were dispersed at 12,000 rpm during 20 minutes and the silt fraction was separated through clay fraction drain, constituting the fraction named pseudo-silt, which was sonificated, separating the desegregated clay fraction (by sonication from the properly named silt fraction. Correlation analyses showed that the soil mineralogical and chemical compositions have marked influence upon clay dispersion, with reflections on the silt fraction. Higher amounts of gibbsite reflect in higher stability of silt-size aggregates, while the kaolinite promotes inverse effect. The Al forms determined on the pseudo-silt fraction are associated with higher difficult of dispersion of clay fraction of

  1. Coarse-Grained Modeling of Polyelectrolyte Solutions

    Science.gov (United States)

    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.

  2. Intellectual disability, coarse face, relative macrocephaly, and cerebellar hypotrophy in two sisters

    NARCIS (Netherlands)

    Sousa, Sérgio B.; Ramos, Fabiana; Garcia, Paula; Pais, Rui P.; Paiva, Catarina; Beales, Philip L.; Moore, Gudrun E.; Saraiva, Jorge M.; Hennekam, Raoul C. M.

    2014-01-01

    We report on two Portuguese sisters with a very similar phenotype characterized by severe intellectual disability, absent speech, relative macrocephaly, coarse face, cerebellar hypotrophy, and severe ataxia. Additional common features include increased thickness of the cranial vault, delayed dental

  3. Characterizing the variation of small strain shear modulus for silt and sand during hydraulic hysteresis

    OpenAIRE

    Khosravi Ali; Rahimi Mehrzad; Shahbazan Parisa; Pak Ali; Gheibi Amin

    2016-01-01

    Experimental studies have indicated that the small strain shear modulus, Gmax, of unsaturated silt and clay has a greater amount during imbibition than during drainage, when presented as a function of matric suction. However, due to material properties and inter-particle forces, different behavior is expected in the case of sand. Although considerable research has been devoted in recent years to characterize the behaviour of Gmax of sand during drainage, rather less attention has been paid to...

  4. Carbon saturation in the silt and clay particles in soils with contrasting mineralogy

    Directory of Open Access Journals (Sweden)

    Francisco Matus

    2016-07-01

    Full Text Available The silt and clay particles play a key role as stabilizing agents of soil organic carbon (SOC. Several lines of evidence indicate a theoretical maximum or C saturation in individual particles. In the present study, we hypothesized that a C fraction displaying linear accumulation relative to the SOC is not influenced by C saturation, while a fraction displaying an asymptotic relationship is regarded as saturated (Stewart et al., 2008. The aim of the present study was to compare the amount of C in the silt and clay sized fractions in temperate and subtropical cropping soils across a range of textures with different mineralogy. Twenty-one and 18 soil samples containing 1:1 and 2:1 clay of temperate soil from Chile under monoculture of maize (Zea maiz L. for at least 30 years and 9 subtropical soils from Mexico under maize and bean (Phaseolus vulgaris L. cropping for 9 years having mixed clay were collected at 0-0.1 m. The SOC of 2:1 soils was significantly higher (14±0.5 g kg-1 dry soil than 1:1 soils (10±0.7 g kg-1. However, subtropical soils showed the highest values (59±0.5 g kg-1. A positive (P < 0.01 relationship was observed between the SOC and the C in the silt fraction (R2 0.80-0.97, P < 0.01. In contrast, the clay fraction remained constant or showed asymptotic behavior. We conclude that the silt fraction, unlike clay, showed no evidence of C saturation, while clay accumulates C to a maximum. On average, the 2:1 clay was saturated at 1-2 g C kg-1 and 1:1 at 1 g C kg-1, and subtropical soils at 14 g C kg-1.

  5. Using of Porcelinite as Coarse Aggregate in Concrete

    Directory of Open Access Journals (Sweden)

    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.

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

    DEFF Research Database (Denmark)

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

    2017-01-01

    This 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 AMGe coarse spaces with approximation properties used in this work enable us to overcome the difficulties...... 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...

  7. Full utilization of silt density index (SDI) measurements for seawater pre-treatment

    KAUST Repository

    Wei, Chunhai

    2012-07-01

    In order to clarify the fouling mechanism during silt density index (SDI) measurements of seawater in the seawater reverse osmosis (SWRO) desalination process, 11 runs were conducted under constant-pressure (207kPa) dead-end filtration mode according to the standard protocol for SDI measurement, in which two kinds of 0.45μm membranes of different material and seawater samples from the Mediterranean including raw seawater and seawater pre-treated by coagulation followed by sand filtration (CSF) and coagulation followed by microfiltration (CMF) technologies were tested. Fouling mechanisms based on the constant-pressure filtration equation were fully analyzed. For all runs, only t/(V/A)∼t showed very good linearity (correlation coefficient R 2>0.99) since the first moment of the filtration, indicating that standard blocking rather than cake filtration was the dominant fouling mechanism during the entire filtration process. The very low concentration of suspended solids rejected by MF of 0.45μm in seawater was the main reason why a cake layer was not formed. High turbidity removal during filtration indicated that organic colloids retained on and/or adsorbed in membrane pores governed the filtration process (i.e., standard blocking) due to the important contribution of organic substances to seawater turbidity in this study. Therefore the standard blocking coefficient k s, i.e., the slope of t/(V/A)∼t, could be used as a good fouling index for seawater because it showed good linearity with feed seawater turbidity. The correlation of SDI with k s and feed seawater quality indicated that SDI could be reliably used for seawater with low fouling potential (SDI 15min<5) like pre-treated seawater in this study. From both k s and SDI, the order of fouling potential was raw seawater>seawater pre-treated by CSF>seawater pre-treated by CMF, indicating the better performance of CMF than CSF. © 2012 Elsevier B.V.

  8. Coarse grained model for semiquantitative lipid simulations

    NARCIS (Netherlands)

    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

  9. Quantum theory of multiscale coarse-graining

    Science.gov (United States)

    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.

  10. Quantum theory of multiscale coarse-graining.

    Science.gov (United States)

    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. Orimulsion penetration and retention in coarse sediments

    International Nuclear Information System (INIS)

    Harper, J.R.; Ward, S.; Brown, T.; Sergy, G.; Dempsey, M.

    2002-01-01

    Orimulsion is a fuel alternative composed of 70 per cent bitumen in 30 per cent water. It is shipped from Venezuela to New Brunswick where it is used as fuel oil for power plants. While there have not been any major spills of Orimulsion, it is recognized that very little is known regarding the dispersal and weathering processes of Orimulsion, or the behaviour and cleanup of the product on both rocky and course sediment shorelines. For that reason, this study was conducted to evaluate Orimulsion penetration and retention in coarse sediments. The objectives were to develop a standardized method to apply dispersed and coalesced bitumen to the coarse grained sediment test substrates and to estimate the quantity of bitumen retained on and in the substrate. Another objective was to evaluate how the two forms of bitumen interact with coarse sediments in terms of penetration and retention characteristics. The impact of tides and temperature on penetration and retention in coarse sediments was also evaluated. The results were interpreted in terms of potential response options and cleanup options for coarse sediment shorelines. It was determined that spilled Orimulsion would be stranded in the form of tar balls. Initial penetration of coalesced bitumen would be limited in granules and pebbles, Penetration of more than 30 cm would occur in cobbles within 4 tidal cycles. Penetration is temperature sensitive. Cold temperatures would limit penetration in cobbles. No washing method was identified for removal of coalesced bitumen, but coalesced bitumen remains buoyant after penetration. The retention of dispersed bitumen is less than 50 mg of bitumen per kg of sediment. 4 refs., 5 tabs., 12 figs

  12. Post-cyclic behavior of low plasticity silt under full and limited liquefaction using triaxial compression testing.

    Science.gov (United States)

    2010-02-01

    During an earthquake, liquefaction does not happen all the time. It depends on the duration and magnitude of the earthquake and the properties (with relationship to resistance of liquefaction) of the low plasticity silt. Under low duration or magnitu...

  13. Characterizing the variation of small strain shear modulus for silt and sand during hydraulic hysteresis

    Directory of Open Access Journals (Sweden)

    Khosravi Ali

    2016-01-01

    Full Text Available Experimental studies have indicated that the small strain shear modulus, Gmax, of unsaturated silt and clay has a greater amount during imbibition than during drainage, when presented as a function of matric suction. However, due to material properties and inter-particle forces, different behavior is expected in the case of sand. Although considerable research has been devoted in recent years to characterize the behaviour of Gmax of sand during drainage, rather less attention has been paid to the effect of hydraulic hysteresis on Gmax and its variations during imbibition. In the study presented herein, an effort has been made to compare the Gmax behavior of specimens of silt and sand during hydraulic hysteresis. In this regard, a series of bender element tests were carried out in a modified triaxial test device with suction-saturation control to evaluate the impact of hydraulic hysteresis on Gmax for specimens of silt and sand. Trends between the Gmax and matric suction for unsaturated sand were found to be different from those for silty specimens. The variations in Gmax showed an up and down trend in both drainage and imbibition paths for sandy specimens, where plotted as a function of matric suction. Results also indicated smaller magnitudes of Gmax upon imbibition than those during drainage; a behavior which is believed to be attributed to variations in suction stress with matric suction. In silty specimens, a stiffer response was measured during imbibition which was hypothesized to be due to drainage-induced hardening experienced by the specimens that was not fully recovered during imbibition.

  14. National Map Data Base On Landslide Prerequisites In Clay and Silt Areas - Development of Prototype

    Science.gov (United States)

    Viberg, Leif

    Swedish geotechnical institute, SGI, has in co-operation with Swedish geologic survey, Lantmateriet (land surveying) and Swedish Rescue Service developed a theme database on landslide prerequisites in clay and silt areas. The work is carried out on commission of the Swedish government. A report with suggestions for production of the database has been delivered to the government. The database is a prototype, which has been tested in an area in northern Sweden. Recommended presentation map scale is about 1:50 000. Distribution of the database via Internet is discussed. The aim of the database is to use it as a modern planning tool in combination with other databases, e g databases on flooding prognoses. The main use is supposed to be in early planning stages, e g for new building and infrastructure development and for risk analyses. The database can also be used in more acute cases, e g for risk analyses and rescue operations in connection with flooding over large areas. Users are supposed to be municipal and county planners and rescue services, infrastructure planners, consultants and assurance companies. The database is constructed by combination of two existing databases: Elevation data and soil map data. The investigation area is divided into three zones with different stability criteria: 1. Clay and silt in sloping ground or adjoining water. 2. Clay and silt in flat ground. 3. Rock and other soils than clay and silt. The geometrical and soil criteria for the zones are specified in an algoritm, that will do the job to sort out the different zones. The algoritm is thereby using data from the elevation and soil databases. The investigation area is divided into cells (raster format) with 5 x 5 m side length. Different algoritms had to be developed before reasonable calculation time was reached. The theme may be presented on screen or as a map plot. A prototype map has been produced for the test area. A description is accompanying the map. The database is suggested

  15. Management effects on greenhouse gas emissions from a fen covered with riverine silt

    Science.gov (United States)

    Bräuer, Melanie; Gatersleben, Peter; Tiemeyer, Bärbel

    2017-04-01

    Drainage is necessary to use peatlands for conventional agriculture, but this practice causes high emissions of the greenhouse gases carbon dioxide (CO2) and nitrous oxide (N2O). The effect of hydrological conditions and management on greenhouse gas (GHG) emissions from "true" peat soils is relatively well examined, but there is little data on GHG emissions from organic soils covered with mineral soil. Such a cover may either be man-made to improve the trafficability of the fields or natural, e.g. due to the deposition of riverine silt. Such mineral covers are widespread in North-Western Germany and other regions with intensively used peatlands. Here, we aim to evaluate the effect of management, water table depth and properties of the mineral cover on the emissions of CO2, N2O and methane (CH4). As the majority of peatlands in North-Western Germany, the study area is used as grassland. The area is artificially drained and intensively used (4 to 5 cuts per year, annual nitrogen fertilisation of 112 to 157 kg/ha). The fen peat with a thickness of 0.6 to 1.50 m is covered by riverine silt deposited by the river Weser. Six measurement sites have been chosen to represent typical agricultural management, soil properties and hydrological conditions of one hydrological management unit. The sites differ in the soil organic carbon (SOC) content of the riverine silt (4 - 15 % SOC), the occurrence of a ploughed horizon as well as water and agricultural management. We use static closed chambers to measure CO2, CH4 and N2O fluxes. CO2 measurement campaigns using transparent and opaque chambers and a portable IRGA take place every third or fourth week depending on season. CH4 and N2O samples are taken every second week and, in addition, on the first, third and seventh day after fertilizer application. Samples are analyzed by gas chromatography. First results show negligible CH4 fluxes due to low groundwater levels. Total N2O emissions reflected mainly the different fertilizer

  16. From shifting silt to solid stone: the manufacture of synthetic basalt in ancient mesopotamia

    Science.gov (United States)

    Stone; Lindsley; Pigott; Harbottle; Ford

    1998-06-26

    Slabs and fragments of gray-black vesicular "rock," superficially resembling natural basalt but distinctive in chemistry and mineralogy, were excavated at the second-millennium B.C. Mesopotamian city of Mashkan-shapir, about 80 kilometers south of Baghdad, Iraq. Most of this material appears to have been deliberately manufactured by the melting and slow cooling of local alluvial silts. The high temperatures (about 1200 degreesC) required and the large volume of material processed indicate an industry in which lithic materials were manufactured ("synthetic basalt") for grinding grain and construction.

  17. Spacetime coarse grainings in nonrelativistic quantum mechanics

    International Nuclear Information System (INIS)

    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

  18. Symmetries and the coarse-mesh method

    International Nuclear Information System (INIS)

    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.)

  19. Oxygen isotopic ratios in fine quartz silt from sediments and soils of southern Africa

    International Nuclear Information System (INIS)

    Le Roux, J.; Jackson, M.L.; Clayton, R.N.

    1980-01-01

    Fine quartz silt (1 to 10 μm dia, important in aerosol dust) isolated from a large number of soils, as well as Phanerozoic shales, sandstones and recent sands of the southern African stratigraphic column (Carboniferous, Permian and Triassic) exhibits a mean delta 18 O of 12.2 +- 2.1 parts per thousand. These values are similar to those reported for South Pacific pelagic sediments and adjacent land areas of similar latitude but are lower than those reported for this size fraction of 30 Mesozoic and Paleozoic shales (20.7 +- 1.8 parts per thousand) and soils from mid-continental U.S.A., for aerosol quartz in the North Pacific pelagic sediments, and for eolian caps in high-elevation soils of Hawaii. The lower oxygen isotopic ratios in fine quartz silt of southern Africa reinforces the earlier indication that Southern Hemisphere detrital sedimentary reservoirs contain a higher proportion of igneous and metamorphic quartz (lower delta 18 O) and less low-temperature authigenic quartz (higher delta 18 O) than Northern Hemisphere detrital sediments. The difference reflects climates, as continents drifted in latitude. (author)

  20. Discovery of laterally extensive drape of siliciclastic silt in the Northern Calcareous Alps, Austria: Late-glacial to ?early Holocene aeolian deposition.

    Science.gov (United States)

    Gild, Charlotte; Geitner, Clemens; Haas, Jean Nicolas; Sanders, Diethard

    2016-04-01

    Field surveys in the Northern Calcareous Alps (NCA, a nappe stack of Triassic carbonate rocks) revealed a drape, or drapes, typically 20-40 cm in thickness of siliciclastic silt over extensive landscape areas, from valley floors to LGM (Last Glacial Maximum) nunataks. The drape veneers substrates ranging from country rocks to diverse post-LGM deposits - the latter with depositional and/or erosional topographies. The drape mostly is overlain by vegetated organic material and, in turn, tops inactive/abandoned post-LGM successions of fluvial (including kame terrace), alluvial fan, scree slope, LGM basal till, and rock-avalanche origin. The drape extends over kilometers at least (limit of field investigation in specific areas), up to LGM nunatak plateaus. Deposystems (e.g., scree slopes, alluvial fans) on carbonate-rocky terrain that remained active until the Holocene are not topped by the drape; a level of siliciclastic silt, however, was spotted within a few of these successions. The possibility that several levels of silt are intercalated within or top post-glacial deposits cannot be excluded at present; the large lateral extent and the stratigraphic position, however, suggest that at least most locations pertain to a single widespread level (with that reservation, we prefer to speak in singular of the drape). Over the inspected area (~ 90 x 20 km), the drape consists mainly of silt-sized grains of quartz, feldspars, micas, and amphiboles; at a few sites, calci- or dolosilt are admixed. Most of the grains are angular to subrounded, some grains show features of corrosion. Preliminary palynological analyses of this silt - seven locations from LGM nunataks to kame terrace and alluvial fans - suggest vegetation types that, together, may be assigned to palaeoclimates ranging from the late-glacial (Younger Dryas?) to the middle Holocene. A few of the pollen spectra appear to record sparse vegetation cover allowing for enhanced aeolian deposition, but other spectra (e

  1. Origin and character of loesslike silt in unglaciated south-central Yakutia, Siberia, U.S.S.R.

    Science.gov (United States)

    Pewe, Troy Lewis; Journaux, Andre

    1983-01-01

    Loesslike silt mantles upland terraces and low plateaus throughout unglaciated south-central Yakutia but is thickest along the south side of the lower Aldan River valley and the east side of the Lena River valley. The silt is probably loess deposited during glacial advances by winds blowing southward from the Verkhoyansk Range and eastward across the broad vegetation-free flood plain of the braided Lena River. The well-sorted uniform tan silt is well displayed along the Aldan and Lena Rivers; the thickest exposure measured, more than 60 m, is on the Tyungyulyu Terrace on the east side of the Lena River. On the west side of the valley, it is 10-25 m thick but thins rapidly to a featheredge west of Yakutsk. Almost all scarps along the south side of the Aldan River are capped by 10-35 m of silt. The texture and mineral composition of the loess like silt are uniform throughout south-central Yakutia, whether it overlies limestone, poorly consolidated sandstone, alluvium, and glacial outwash. All silt samples examined contained a high percentage of quartz and feldspar. The silt stands in sheer cliffs and is massive, with little or no stratification. The origin of the loesslike silt has been ascribed to disintegration in place of country rock by a marine, estuarine, lacustrine, fluvial, residual, or eolian source, or to a combination of these processes. The marine and estuarine hypotheses have never had strong support, but the lacustrine, fluvial, and residual hypotheses have been advanced by many Soviet workers. The most widely accepted explanation of the origin of the upland silt is that it is a combination of lacustrine and alluvial deposits formed on great flood plains and marshy plains. This origin is unlikely, however, because there are no shorelines, wave-cut beaches, deltas, mudcracks, or ripple marks. Neither distinct stratification nor an appreciable amount of clay exists in the silt. Moreover, there is no definite upper boundary to the deposits, as would be

  2. Coarse mode aerosols in the High Arctic

    Science.gov (United States)

    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.

  3. The gravitational description of coarse grained microstates

    Energy Technology Data Exchange (ETDEWEB)

    Alday, Luis F. [Institute for Theoretical Physics and Spinoza Institute, Utrecht University, 3508 TD Utrecht (Netherlands); Boer, Jan de [Instituut voor Theoretische Fysica, Valckenierstraat 65, 1018XE Amsterdam (Netherlands); Messamah, Ilies [Instituut voor Theoretische Fysica, Valckenierstraat 65, 1018XE Amsterdam (Netherlands)

    2006-12-15

    In this paper we construct a detailed map from pure and mixed half-BPS states of the D1-D5 system to half-BPS solutions of type IIB supergravity. Using this map, we can see how gravity arises through coarse graining microstates, and we can explicitly confirm the microscopic description of conical defect metrics, the M = 0 BTZ black hole and of small black rings. We find that the entropy associated to the natural geometric stretched horizon typically exceeds that of the mixed state from which the geometry was obtained.

  4. Determination of p-y Curves for Bucket Foundations in Silt and Sand Using Finite Element Modelling

    DEFF Research Database (Denmark)

    Vethanayagam, Vinojan; Ibsen, Lars Bo

    slender than the tested piles. The suction bucket has a slenderness ratio of 0.5-1, thus its response is a rigid movement, where slender piles undergoes a flexible movement. Due to the importance of precise estimations, p-y formulations for suction buckets in drained and undrained silt are sought...... developed with use of finite element. In general the developed p-y formulations for the drained and undrained silt are fairly precise. Furthermore, the same method and basic formulation of the drained silt is applied to data of the drained sand from Østergaard et al. [2015]. The developed formulation...... herefore shows to be more versatile and precise than the formulation suggested by Østergaard et al. [2015]. The developed p-y formulations are functions of the effective vertical in-situ stress, soil stiffness, diameter of the bucket and the internal friction angle/the undrained shear strength....

  5. Predicting saturated hydraulic conductivity from percolation test results in layered silt loam soils.

    Science.gov (United States)

    Jabro, Jay D

    2009-12-01

    The objectives of the study discussed in this article were to develop an empirical relationship between the saturated hydraulic conductivity (Ks) of layered soils and their percolation times (PT) in order to understand the influence of individual layers and compare this with the equations developed by Winneberger (1974) and Fritton, Ratvasky, and Petersen (1986). Field research was conducted on three silt loam soils. Six holes were spaced evenly in two parallel rows of three holes. The Ks was measured at three different layers for each soil using a constant head well permeameter. After completion of the second Ks measurement, the percolation test was conducted. Three linear equations for the upper, middle, and lower layers were developed between the Ks values of each individual layer in all three sites and the corresponding PT. Significant differences were found between the author's results and those predicted by Winneberger (1974) and Fritton and co-authors (1986).

  6. Degradation of roxarsone in a silt loam soil and its toxicity assessment.

    Science.gov (United States)

    Liang, Tengfang; Ke, Zhengchen; Chen, Qing; Liu, Li; Chen, Guowei

    2014-10-01

    The land application of poultry or swine litter, containing large amounts of roxarsone, causes serious arsenic pollution in soil. Understanding biotransformation process of roxarsone and its potential risks favors proper disposal of roxarsone-contaminated animal litter, yet remains not achieved. We report an experimental study of biotransformation process of roxarsone in a silt loam soil under various soil moisture and temperature conditions, and the toxicity of roxarsone and its products from degradation. Results showed that soil moisture and higher temperature promoted roxarsone degradation, associating with emergent pentavalent arsenic. Analysis of fluorescein diacetate (FDA) hydrolysis activity revealed that roxarsone does not exert acute toxic on soil microbes. With the release of inorganic arsenic, FDA hydrolysis activity was inhibited gradually, as evidenced by ecotoxicological assessment using Photobacterium leiognathi. The results shade new lights on the dynamic roxarsone biotransformation processes in soil, which is important for guiding appropriate disposal of poultry or swine litter in the environment. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. Water and solute transport in agricultural soils predicted by volumetric clay and silt contents

    DEFF Research Database (Denmark)

    Karup, Dan; Møldrup, Per; Paradelo Pérez, Marcos

    2016-01-01

    tracer mass could be well fitted to an analytical solution to the classical convection-dispersion equation. Both cumulative tracer mass and concentration as a function of time were hereby reasonable well predicted from the simple inputs of bulk density, clay and silt contents, and applied tracer mass......-and-eighty-seven undisturbed soil columns 20 cm in height and 20 cm in diameter were sampled from six conventionally managed agricultural fields in Denmark. The soils exhibited a wide range in texture, with clay contents and organic carbon (OC) contents ranging from 0.03 to 0.41 kg kg-1 and 0.01 to 0.08 kg kg-1, respectively...

  8. Early deterioration of coarse woody debris.

    Energy Technology Data Exchange (ETDEWEB)

    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.

  9. A Bayesian statistics approach to multiscale coarse graining

    Science.gov (United States)

    Liu, Pu; Shi, Qiang; Daumé, Hal; Voth, Gregory A.

    2008-12-01

    Coarse-grained (CG) modeling provides a promising way to investigate many important physical and biological phenomena over large spatial and temporal scales. The multiscale coarse-graining (MS-CG) method has been proven to be a thermodynamically consistent way to systematically derive a CG model from atomistic force information, as shown in a variety of systems, ranging from simple liquids to proteins embedded in lipid bilayers. In the present work, Bayes' theorem, an advanced statistical tool widely used in signal processing and pattern recognition, is adopted to further improve the MS-CG force field obtained from the CG modeling. This approach can regularize the linear equation resulting from the underlying force-matching methodology, therefore substantially improving the quality of the MS-CG force field, especially for the regions with limited sampling. Moreover, this Bayesian approach can naturally provide an error estimation for each force field parameter, from which one can know the extent the results can be trusted. The robustness and accuracy of the Bayesian MS-CG algorithm is demonstrated for three different systems, including simple liquid methanol, polyalanine peptide solvated in explicit water, and a much more complicated peptide assembly with 32 NNQQNY hexapeptides.

  10. Management of Coarse Sediment in Regulated Rivers of California

    OpenAIRE

    Kondolf, G. Mathias; Matthews, W.V. Graham

    1991-01-01

    There are significant problems in the management of coarse sediment (sand and gravels) in regulated rivers of California. Unfortunately, these have been generally treated (or ignored) on a case-by-case basis, however, the effects are pervasive and profound, with substantial costs and severe environmental impacts. Problems arise due to the human manipulation of coarse sediment through reservoir construction, which blocks the movement of coarse sediment down the river, and through instream grav...

  11. Bryophyte species associations with coarse woody debris and stand ages in Oregon

    Science.gov (United States)

    Rambo, T.; Muir, Patricia S.

    1998-01-01

    We quantified the relationships of 93 forest floor bryophyte species, including epiphytes from incorporated litterfall, to substrate and stand age in Pseudotsuga menziesii-Tsuga heterophylla stands at two sites in western Oregon. We used the method of Dufrêne and Legendre that combines a species' relative abundance and relative frequency, to calculate that species' importance in relation to environmental variables. The resulting "indicator value" describes a species' reliability for indicating the given environmental parameter. Thirty-nine species were indicative of either humus, a decay class of coarse woody debris, or stand age. Bryophyte community composition changed along the continuum of coarse woody debris decomposition from recently fallen trees with intact bark to forest floor humus. Richness of forest floor bryophytes will be enhanced when a full range of coarse woody debris decay classes is present. A suite of bryophytes indicated old-growth forest. These were mainly either epiphytes associated with older conifers or liverworts associated with coarse woody debris. Hardwood-associated epiphytes mainly indicated young stands. Mature conifers, hardwoods, and coarse woody debris are biological legacies that can be protected when thinning managed stands to foster habitat complexity and biodiversity, consistent with an ecosystem approach to forest management.

  12. Soil nitrogen dynamics and Capsicum Annuum sp. plant response to biochar amendment in silt loam soil

    Science.gov (United States)

    Horel, Agota; Gelybo, Gyorgyi; Dencso, Marton; Toth, Eszter; Farkas, Csilla; Kasa, Ilona; Pokovai, Klara

    2017-04-01

    The present study investigated the growth of Capsicum Annuum sp. (pepper) in small-scale experiment to observe changes in plant growth and health as reflected by leaf area, plant height, yield, root density, and nitrogen usage. Based on field conditions, part of the study aimed to examine the photosynthetic and photochemical responses of plants to treatments resulting from different plant growth rates. During the 12.5 week long study, four treatments were investigated with biochar amount of 0, 0.5%, 2.5%, and 5.0% (by weight) added to silt loam soil. The plants were placed under natural environmental conditions, such that photosynthetic activities from photosynthetically active radiation (PAR) and the plants photochemical reflectance index (PRI) could be continuously measured after exposure to sunlight. In this study we found that benefits from biochar addition to silt loam soil most distinguishable occurred in the BC2.5 treatments, where the highest plant yield, highest root density, and highest leaf areas were observed compared to other treatments. Furthermore, data showed that too low (0.5%) or too high (5.0%) biochar addition to the soil had diminishing effects on Capsicum Annuum sp. growth and yield over time. At the end of the 12th week, BC2.5 had 22.2%, while BC0.5 and BC5.0 showed 17.4% and 15.7% increase in yield dry weight respectively compared to controls. The collected data also showed that the PRI values of plants growing on biochar treated soils were generally lower compared to control treatments, which could relate to leaf nitrogen levels. Total nitrogen amount showed marginal changes over time in all treatments. The total nitrogen concentration showed 28.6% and 17.7% increase after the 6th week of the experiment for BC2.5 and BC5.0, respectively, while inorganic nutrients of NO3-N and NH4+-N showed a continuous decrease during the course of the study, with a substantial drop during the first few weeks. The present study provides evidence for impact

  13. Physicochemical Properties of Silt Loamy Soil and Diversity of Diatom Species Under Winter Wheat and Oats

    Directory of Open Access Journals (Sweden)

    Jadwiga Stanek-Tarkowska

    2017-11-01

    Full Text Available The aim of the research was to investigate the soil properties and the species diversity of diatoms growing in different agricultural fields with silt loamy soil. The field experiment was conducted in 2014 in Kosina, near Łańcut (SE Poland, at three sites (indicated as fields K1, K2, K3 with different soil environmental conditions and plants. The growth of winter wheat Triticum aestivum (cv. Bogatka in fields K1 and K2 and oats Avena Sativa (cv. Haker in field K3 under different soil management were studied. The soil samples were collected from the top layers (0-5 cm depth each month, from April to December. Certain physical and chemical parameters of soil were measured. The pH of soil was acidic and slightly acidic in fields K1 (5.0-5.4, K2 (4.9-5.9 and K3 (4.5-5.1. The soil in field K3 had a significantly greater content of organic matter (1.06-1.30% and water content (12.9–33.8%, v/v than fields K1 and K2. A total of 91 diatom taxa were found. The diversity was greatest in field K2 (71 taxa, lower in K1 (54 taxa and K3 (24 taxa. In K1, the most numerous species were Luticola D.G. Mann cf. mutica, Mayamaea atomus var. permitis (Hust. Lange-Bertalot, and Stauroneis thermicola (Petersen Lund, with more than a 20% share in the assemblage. In K2, very abundant assemblages were formed by Mayamaea atomus (Kütz. Lange-Bertalot, Mayamaea atomus var. permitis (Hust. Lange-Bertalot, and Stauroneis thermicola (Petersen Lund with a 25 to 50% share in the total diatom community. In K3, with oat cultivation, a different diatom species structure was found. Here, the most abundant were Halamphora montana (Krasske Levkov, Hantzchia amphioxys (Ehrenb. Grunow, Mayamaea atomus (Kütz. Lange-Bertalot, and Nitzschia pusilla Grunow, which attained a share in the assemblage exceeding than 20%. The effects of different soil management regimes under different plants on the physical and chemical properties of the soil, and on the diversity of diatoms, were

  14. A Structure-Based Coarse-Fine Approach for Diversity Tuning in Cellular GAs

    Directory of Open Access Journals (Sweden)

    MORALES-REYES, A.

    2012-08-01

    Full Text Available This article empirically assesses a coarse-fine approach for diversity tuning in cellular Genetic Algorithms (cGAs. The coarse tuning is performed through the constant reconfiguration of the grid while the fine tuning is locally achieved through dynamic anisotropic selection which considers individuals' locations in the local neighborhood. Benchmark problems including continuous, real-world and combinatorial problems are evaluated. The experimental results show an improvement in cGAs performance when compared to having a fixed topology configuration or to independently applying dynamic lattice reconfiguration or dynamic anisotropic.

  15. Gas detection in sands of high silt-clay content in the Cook Inlet area

    International Nuclear Information System (INIS)

    Bettis, F.

    1976-01-01

    When a sand contains a large amount of silt and clay it is often difficult to detect zones that contain gas using only the Archie Saturation Relationship. However, gas may be detected in these shaly formations using certain quick-look techniques. Log examples of these are presented in this paper. The first quick-look technique is an overlay of the neutron log on a density log. The neutron log is shifted relative to the density log to make the two porosity curves track in shaly water sands. Gas-bearing intervals become readily apparent from separations of the two curves where the density porosity is reading higher than the shifted neutron porosity. The second is an overlay of a neutron log on the sonic interval-transit-time log. The sonic log is shifted so as to match the neutron log in average tight sands in the section. This method has proved to be more optimistic than the density-neutron overlay above. It will find the gas-bearing zones, but may result in testing a zone or two which is nonproductive. The third method, used when no neutron log has been run, is a crossplot of the difference, sonic porosity minus density porosity, versus gamma ray API units. This is the most unreliable of the three methods because of the difficulty of determining the end points and the slope of the line on the plot which separates the gas zones from the non-gas zones

  16. The ecological half-life of 137Cs in undisturbed silt soil

    International Nuclear Information System (INIS)

    Drosg, M.

    2012-01-01

    The time necessary to safely cultivate agricultural areas after they have been contaminated by radioactivity (e.g. after the Chernobyl accident) is not determined by the physical half-life of the radioactive isotopes in question but by their (usually much shorter) ecological half-life (). This half-life not only depends on the type of soil but also on whether the soil was fertilized or not. Therefore it is not possible to determine an ecological half-life that is universally valid. However, the value for undisturbed, unfertilized soil should provide a general indication for the duration of ecological half-life. In a silt soil in Vienna, Austria, the ecological half-life of 137 Cs was determined to be 0.8 years, which is much shorter than the physical half-life of 30 years. - Highlights: ► Absolute measurements of 137 Cs radioactivity in leaves of perennial plants. ► The natural 40 K radioactivity served as reference. ► The ecological half-life of 137 Cs in loamy soil was determined.

  17. Assessment of silt density index (SDI) as fouling propensity parameter in reverse osmosis (RO) desalination systems

    KAUST Repository

    Rachman, Rinaldi

    2013-01-01

    Due to its simplicity, silt density index (SDI) is extensively used in reverse osmosis systems despite its limitations in predicting membrane fouling. Employing a reliable fouling index with good reproducibility and precision is necessary. The aim of this investigation is to assess the reliability of SDI in order to understand the reasons for the low level of precision and accuracy. Different commercial SDI membranes and feed water quality were used in this study. Results showed the existence of membrane properties\\' variation within manufacturers, which then causes a lack of accuracy in fouling risk estimation. The nature of particles during SDI filtration provides information that particle concentration and size play a significant role in SDI quantification with substantial representation given by particles with size close to membrane nominal pore size. Moreover, turbidity-assisted SDI measurements along with determination of ultrafiltration permeate and clean water fouling potential, establish the indication of nonfouling-related phenomena involved on SDI measurement such as natural organic matter adsorption and hydrodynamic conditions that alters during filtration. Additionally, it was found that the latter affects the sensitivity of SDI by being represented by some portions of SDI values. © 2013 Desalination Publications.

  18. Geotechnical characteristics of bentonite/sandy silt mixes for use in waste disposal sites

    International Nuclear Information System (INIS)

    Abeele, W.V.

    1984-06-01

    The coefficient of consolidation for bentonite/sandy silt ratios of 0.04 to 0.14 decreases inversely proportional with the square of that ratio, whereas the compression index, the swelling index, and the permeability change index increase with increasing bentonite ratio. A strong relationship also exists between the void ratio and the logarithm of the applied stress for any given bentonite ratio. The empirical linear relationship between the void ratio and the logarithm of the applied stress, developed by Taylor, is excellent and enables us to limit the evaluation of conductivity at any void ratio to the measurement of the initial and the desired void ratio, the initial conductivity, and the permeability change index. This allows us to read directly, for a given bentonite ratio, the void ratio (or compaction) needed so that a required hydraulic conductivity will prevail. This is crucial in the choice of materials or mixes to be used in a wick system where an established differentiation in hydraulic conductivity is desirable

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

    CERN Document Server

    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...

  20. Coarse sediment and oil database and fate model

    International Nuclear Information System (INIS)

    Humphrey, B.; Owens, E.H.; Patrick, G.

    1992-09-01

    Oil spills in Canadian waters have a high probability of impacting coarse sediment beaches, and there is a need to be able to predict oil fate and estimate natural self-cleaning rates. Data are lacking on many oil-sediment interactions and shoreline interactions have historically been considered using fairly simple concepts. The processes which may occur on a coarse sediment beach were examined. Those considered important are developed into a fate and persistence model for stranded oil. The processes are divided into stages relative to the spill event, and the factors which affect each stage were evaluated. Three areas of special interest are the capacity of a beach to hold oil, the residual capacity of a beach for oil, and the long-term fate of the oil. Model algorithms are developed and the outputs compared to a database of information collected during the Exxon Valdez spill. The database includes files relating to the location and wave energy of beach sediments, surface oil cover for the segments at various times, subsurface oil character, and pit oiling data. Over 10,000 oil cover records are included, from January 1990 to August 1991, along with some total hydrocarbon data. The model provides information at two levels: a general level which can be used for planning and sensitivity mapping, and a more detailed model for prediction of oil fate on specific known beaches. The strengths and weaknesses of the model are assessed in terms of data deficiencies. The type and nature of data most useful for spill planning and monitoring are identified. 42 refs., 23 figs., 7 tabs

  1. Characterization of Soil-Water Retention with Coarse Fragments in ...

    African Journals Online (AJOL)

    The presence of coarse fragments can have profound impact on soil moisture retention characteristics. The study was conducted to assess the effects of coarse fragments on the moisture retention characteristics of 16 soil series, developed over five different parent materials in the Densu basin. Soil profiles were excavated ...

  2. Multilevel Algorithms for Generic Coarse Grids for Multigrid Methods

    Science.gov (United States)

    2001-05-09

    Multilevel Algorithms For Generic Coarse Grids For Multigrid Methods Technical Report Department of Computer Science and Engineering University of... Methods Irene Moulitsas and George Karypis May 09, 2001 MULTILEVEL ALGORITHMS FOR GENERATING COARSEGRIDS FOR MULTIGRID METHODS Irene Moulitsas and...the Minnesota Supercomputing Institute.1 Serial Multilevel Coarse Grid Construction1 IntroductionGeometric Multigrid methods have gained widespread

  3. Impacts of benthic coarse particulate organic matter variations on ...

    African Journals Online (AJOL)

    An investigation to assess the relationship between coarse particulate organic matter (CPOM) and macroinvertebrate communities was undertaken in the Njoro River, Kenya during 2010. Significantly lower macroinvertebrate densities and diversities were observed in study sites with low Coarse Particulate Organic Matter ...

  4. Weeds of cereal stubble-fields on various soils in the Kielce region. P. II. Podzolic and brown soils developed from silt of water origin, loess and chernozem

    Directory of Open Access Journals (Sweden)

    Franciszek Pawłowski

    2013-12-01

    Full Text Available The weedy status of the cereal stubble-fields on a fertile soils (podzolic and brown developed from silt of water origin and loess as well as chemozem were asessed. The 243 phytosociological records, collected in 69 stands situated in 63 localities, were worked out. The species composition, number and constancy (S and indice of coverage (D of weed species are presented in the report. There were from 113 (podzolic loess to 142 (brown loess weed species on the edafic sites considered. The short-lived predominated among them (62-65%. The great floristic similarity was stated within the weed species occupied the investigated soils. The 88 species (including 27 perennial were common for the each of them. From 24 to 37 species dernonstrated high (V-III constancy degree, but only 5-12 along with high (over 200 indice of coverage.

  5. Coarsely resolved topography along protein folding pathways

    Science.gov (United States)

    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.

  6. ASSIMILATION OF COARSE-SCALEDATAUSINGTHE ENSEMBLE KALMAN FILTER

    KAUST Repository

    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.

  7. Self-Medication with Antibiotics and Antimalarials in the Community of Silte Zone, South Ethiopia

    Directory of Open Access Journals (Sweden)

    Nasir Tajure Wabe

    2012-10-01

    Full Text Available AIM: Self-medication with antibiotics and antimalarials occurs among the population in Ethiopian. We studied to estimate the prevalence of self-medication with antibiotics and antimalarials in Ethiopia and evaluate factors associated with self-medications. METHODS: A cross-sectional study was conducted on 405 households, selected from Silte Zone in South Ethiopia, using a random sampling technique by employing a pretested questionnaire. Data were analyzed using SPSS for windows version 16.0. Chi-square test was used to observe the association of variables. RESULT: The prevalence of self-medication with antibiotics/ antimalarials in this study was 14.5%. Twenty seven (6.7% participants were self medicated with antibiotics, 2.7% used antimalarials drugs while 21 (5.2% used both. Level of monthly income and educational status significantly influence pattern of antibiotics and antimalarials self medication (P<0.05.The top three diseases that led to self medication in this study were headache (38.5%, fever (35.9%, and cough (14.1%. Among self-medicated antibiotics, Amoxicillin (13.5% followed by Ciprofloxacin (8.5% were the most commonly used class of drug. From antimalarials chloroquine (10.1% were highly abused. The main source of antibiotics /antimalarials was pharmacies (59.0% followed by shops (Kiosks (17.9%. The majority (20.5% of the respondents practiced self medication to avoid waiting time at health facilities. CONCLUSION: The prevalence of self-medication with anti-biotic/ antimalarials in the study community was low. Self medication tended to be higher in people with a higher education and those on higher monthly incomes. The major reason for self-medication is found to be to avoid waiting time at health facility. Community pharmacies are the major source drugs. [TAF Prev Med Bull 2012; 11(5.000: 529-536

  8. Preparation and mechanism of the sintered bricks produced from Yellow River silt and red mud

    Energy Technology Data Exchange (ETDEWEB)

    He, Hongtao [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Yue, Qinyan, E-mail: qyyue@sdu.edu.cn [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Su, Yuan; Gao, Baoyu; Gao, Yue; Wang, Jingzhou; Yu, Hui [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China)

    2012-02-15

    Highlights: Black-Right-Pointing-Pointer The best condition was red mud content of 40% and sintering at 1050 Degree-Sign C for 2 h. Black-Right-Pointing-Pointer Bricks' weight loss was caused by the removal of absorbed water and crystal water. Black-Right-Pointing-Pointer Bricks' sintering shrinkage depended on the sodium and iron compounds of red mud. Black-Right-Pointing-Pointer Sintering can strengthen bricks and decrease leaching concentration of toxic metal. - Abstract: The preparation, characteristics and mechanisms of sintered bricks manufactured by Yellow River silt and red mud were studied. The sintering shrinkage, weight loss on ignition, water absorption and compressive strength were tested to determine the optimum preparation condition. Sintering mechanisms were discussed through linear regression analysis. Crystalline components of raw materials and bricks were analyzed by X-ray diffraction. Leaching toxicity of raw materials and bricks were measured according to sulphuric acid and nitric acid method. Radiation safety of the sintered bricks was characterized by calculating internal exposure index and external exposure index. The results showed that at the chosen best parameters (red mud content of 40%, sintering temperature of 1050 Degree-Sign C and sintering time of 2 h), the best characteristics of sintered bricks could be obtained. The weight loss on ignition of sintered bricks was principally caused by the removal of absorbed water and crystal water. The sintering shrinkage of sintered bricks mainly depended on sodium compounds and iron compounds of red mud. The sintering process made some components of raw materials transform into other crystals having better thermostability. Besides, the leaching toxicity and radioactivity index of sintered bricks produced under the optimum condition were all below standards.

  9. ESR signal intensity of quartz in the fine-silt fraction of riverbed sediments from the Yangtze River: a provenance tracer for suspended particulate matter

    Science.gov (United States)

    Saito, Keita; Tada, Ryuji; Zheng, Hongbo; Irino, Tomohisa; Luo, Chao; He, Mengying; Wang, Ke; Suzuki, Yoshiaki

    2017-12-01

    The Asian summer monsoon exerts a strong influence on the hydrologic cycle in East Asia. Moreover, the distribution of heavy precipitation in the Yangtze River basin, which covers a large area of South China, is sensitive to changes in monsoon intensity. Thus, the paleo-distribution of heavy precipitation in the Yangtze basin is key in reconstructing the paleo-monsoon intensity. In this study, we established proxies for distinguishing sediments from the northwestern and southeastern parts of the Yangtze River basin, with the goal of using them to reconstruct the paleo-distribution of heavy precipitation in the basin based on changes in the provenance of detrital sediments, as determined using sediment records at the river mouth. The proxies included the electron spin resonance (ESR) signal intensity and the crystallinity index (CI) of quartz in modern riverbed sediments along the mainstream and tributaries of the Yangtze River. The data revealed that the fine-silt fraction of the sediments (which represents suspended particulate matter, SPM) from each major tributary can be distinguished on the basis of ESR signal intensity and CI values. The values for each tributary reflect the age and type of bedrock in the tributary basin and show distinct regional variations according to the distribution of geological blocks within the Yangtze basin. In addition, the analyzed ESR signal intensity and CI values of the fine-silt fraction of riverbed sediments below mainstream-tributary junctions agree well with values calculated according to a simple mixing model of SPM discharged from the tributaries and the mainstream.

  10. Non-Galerkin Coarse Grids for Algebraic Multigrid

    Energy Technology Data Exchange (ETDEWEB)

    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.

  11. Rheology and zeta potential of cement pastes containing calcined silt and ground granulated blast-furnace slag

    Directory of Open Access Journals (Sweden)

    Safi, B.

    2011-09-01

    Full Text Available This study aimed to analyse the re-use of dam silt as a supplementary binder for self-compacting concrete (SCC. When burnt, silt becomes more reactive because the kaolin it contains is converted into metakaolin. Portland cement, calcined or burnt silt and ground granulated blast furnace slag were used in this research. Cement pastes were prepared with blends containing two or three of these materials. The replacement ratio for burnt silt in both cases was 10 % and 20 % by cement weight and the ratio for the slag was a constant 30 % by weight of the blend. Rheological and zeta potential tests were conducted to evaluate paste electrokinetics and rheological behaviour. The findings showed that burnt silt is apt for use as an addition to cement for SCC manufacture.

    En el presente trabajo se ha analizado la posibilidad de utilizar los lodos procedentes de embalses como adición en la fabricación del hormigón autocompactante (HAC. Con la calcinación, estos materiales se vuelven más reactivos debido a la transformación en metacaolín, del caolín que forma parte de su composición. Las materias primas empleadas en esta investigación son: cemento Pórtland, lodos de embalse calcinados y escorias granuladas de horno alto. Se prepararon pastas de cemento con mezclas que contenían dos o tres de estos materiales. El porcentaje de reemplazo de los lodos calcinados osciló entre el 10 y el 20 % en peso del cemento, mientras que el de la escoria fue del 30 % en peso de la mezcla. Se llevaron a cabo ensayos reológicos y de potencial zeta para evaluar el comportamiento electrocinético y reológico de las distintas pastas. De acuerdo con los resultados obtenidos, una vez calcinados, los lodos de embalse son aprovechables como adición al cemento con destino a la preparación de HAC.

  12. Coarse-grained Simulations of Viral Assembly

    Science.gov (United States)

    Elrad, Oren M.

    2011-12-01

    The formation of viral capsids is a marvel of natural engineering and design. A large number (from 60 to thousands) of protein subunits assemble into complete, reproducible structures under a variety of conditions while avoiding kinetic and thermodynamic traps. Small single-stranded RNA viruses not only assemble their coat proteins in this fashion but also package their genome during the self-assembly process. Recent experiments have shown that the coat proteins are competent to assemble not merely around their own genomes but heterologous RNA, synthetic polyanions and even functionalized gold nanoparticles. Remarkably these viruses can even assemble around cargo not commensurate with their native state by adopting different morphologies. Understanding the properties that confer such exquisite precision and flexibility to the assembly process could aid biomedical research in the search for novel antiviral remedies, drug-delivery vehicles and contrast agents used in bioimaging. At the same time, viral assembly provides an excellent model system for the development of a statistical mechanical understanding of biological self-assembly, in the hopes of that we will identify some universal principles that underly such processes. This work consists of computational studies using coarse-grained representations of viral coat proteins and their cargoes. We find the relative strength of protein-cargo and protein-protein interactions has a profound effect on the assembly pathway, in some cases leading to assembly mechanisms that are markedly different from those found in previous work on the assembly of empty capsids. In the case of polymeric cargo, we find the first evidence for a previously theorized mechanism in which the polymer actively participates in recruiting free subunits to the assembly process through cooperative polymer-protein motions. We find that successful assembly is non-monotonic in protein-cargo affinity, such affinity can be detrimental to assembly if it

  13. Behaviour of fibre reinforced concrete using steel slag coarse aggregate produced in Qatar

    Directory of Open Access Journals (Sweden)

    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.

  14. Coarse-grained Monte Carlo simulations of non-equilibrium systems.

    Science.gov (United States)

    Liu, Xiao; Crocker, John C; Sinno, Talid

    2013-06-28

    We extend the scope of a recent method for generating coarse-grained lattice Metropolis Monte Carlo simulations [X. Liu, W. D. Seider, and T. Sinno, Phys. Rev. E 86, 026708 (2012); and J. Chem. Phys. 138, 114104 (2013)] from continuous interaction potentials to non-equilibrium situations. The original method has been shown to satisfy detailed balance at the coarse scale and to provide a good representation of various equilibrium properties in both atomic and molecular systems. However, we show here that the original method is inconsistent with non-equilibrium trajectories generated by full-resolution Monte Carlo simulations, which, under certain conditions, have been shown to correspond to Langevin dynamics. The modified coarse-grained method is generated by simultaneously biasing the forward and backward transition probability for every possible move, thereby preserving the detailed balance of the original method. The resulting coarse-grained Monte Carlo simulations are shown to provide trajectories that are consistent with overdamped Langevin (Smoluchowski) dynamics using a sequence of simple non-equilibrium examples. We first consider the purely diffusional spreading of a Gaussian pulse of ideal-gas particles and then include an external potential to study the influence of drift. Finally, we validate the method using a more general situation in which the particles interact via a Lennard-Jones interparticle potential.

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

    Science.gov (United States)

    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 ...

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

    DEFF Research Database (Denmark)

    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...

  17. Non-Steady Oscillatory Flow in Coarse Granular Materials

    DEFF Research Database (Denmark)

    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...

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    OpenAIRE

    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...

  20. PHYSICAL PROPERTIES, PERMEABILITY AND RETENTIVENESS OF SILT LOAM AND ITS COMPOSITES WITH SAND FOR CONSTRUCTING CARRYING LAYER OF A FOOTBALL FIELD

    Directory of Open Access Journals (Sweden)

    Tomasz Kowalik

    2014-10-01

    Full Text Available Physical and water properties of silt loam from the area of planned football field were tested and compared with analogous properties of several composites made in laboratory conditions from the collected material with a dominant sand share. The research was conducted in a view of silt loam and its composites usefulness for constructing a carrying layer of football fields. Water permeability of silt loam and composites, as well as retention abilities were tested. The created composites met the water permeability requirements specified by DIN 18035 standard for constructing carrying layer of football fields. On the other hand, silt loam without sand admixture did not meet the requirements, but revealed a high retention capacity and water availability to plants. Among the composites the best retention capacity characterised the mixtures with the biggest content of silt loam, but the best water availability was registered in composites with medium content of silt loam from the football field area. The obtained results may be useful for more precise determination of the standards for grain size distribution of the composites used for constructing the carrying layer of a football field.

  1. Near-road enhancement and solubility of fine and coarse ...

    Science.gov (United States)

    Communities near major roadways are disproportionately affected by traffic-related air pollution which can contribute to adverse health outcomes. The specific role of particulate matter (PM) from traffic sources is not fully understood due to complex emissions processes and physical/chemical properties of PM in the near-road environment. To investigate the spatial profile and water solubility of elemental PM species near a major roadway, filter-based measurements of fine (PM2.5) and coarse (PM10-2.5) PM were simultaneously collected at multiple distances (10 m, 100 m, and 300 m) from Interstate I-96 in Detroit, Michigan during September–November 2010. Filters were extracted in water, followed by a hot acid extraction, and analyzed by magnetic sector field high resolution inductively coupled plasma mass spectrometry (HR-ICPMS) to quantify water-soluble and acid-soluble trace elements for each PM size fraction. PM2.5 and PM10-2.5 species measured in the near-road samples included elements associated with traffic activity, local industrial sources, and regional pollution. Metals indicative of brake wear (Ba, Cu) were dramatically enriched near the roadway during downwind conditions (factor of 5 concentration increase), with the largest increase within 100 m of the roadway. Moderate near-roadway increases were observed for crustal elements and other traffic-related PM (Fe, Ca), and the lowest increases observed for regional PM species (S). Water solubility varied

  2. Intellectual disability, coarse face, relative macrocephaly, and cerebellar hypotrophy in two sisters

    OpenAIRE

    Sousa, SB; Ramos, F; Garcia, P; Pais, RP; Paiva, C; Beales, PL; Moore, GE; Saraiva, JM; Hennekam, RC

    2014-01-01

    We report on two Portuguese sisters with a very similar phenotype characterized by severe intellectual disability, absent speech, relative macrocephaly, coarse face, cerebellar hypotrophy, and severe ataxia. Additional common features include increased thickness of the cranial vault, delayed dental eruption, talipes equino-varus, clinodactyly, and camptodactyly of the fifth finger. The older sister has retinal dystrophy and the younger sister has short stature. Their parents are consanguineou...

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

    Czech Academy of Sciences Publication Activity Database

    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

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

    Energy Technology Data Exchange (ETDEWEB)

    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

  5. Characterizing and contrasting instream and riparian coarse wood in western Montana basins

    Science.gov (United States)

    Michael K. Young; Ethan A. Mace; Eric T. Ziegler; Elaine K. Sutherland

    2006-01-01

    The importance of coarse wood to aquatic biota and stream channel structure is widely recognized, yet characterizations of large-scale patterns in coarse wood dimensions and loads are rare. To address these issues, we censused instream coarse wood ( 2 m long and 10 cm minimum diameter) and sampled riparian coarse wood and channel characteristics in and along 13 streams...

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

    Directory of Open Access Journals (Sweden)

    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.

  7. Coarse-graining polymers with the MARTINI force-field: polystyrene as a benchmark case

    DEFF Research Database (Denmark)

    Rossi, G.; Monticelli, L.; Puisto, S. R.

    2011-01-01

    in the parameterization. We refine the MARTINI procedure by including one additional target property related to the structure of the polymer, namely the radius of gyration. The force-field optimization is mainly based on experimental data. We test our procedure on polystyrene, a standard benchmark for coarse-grained (CG...... 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.......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...

  8. Pesticide residues in individual versus composite samples of apples after fine or coarse spray quality application

    DEFF Research Database (Denmark)

    Poulsen, Mette E.; Wenneker, Marcel; Withagen, Jacques

    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 coarse spray quality application on residue levels. The applications included boscalid, bupirimate, captan, fenoxycarb, indoxacarb, pirimicarb, pyraclostrobin and thiophanate-methyl. Apples were collected from four zones in the tree and pesticide residues were detected in the individual apples....... None of the results for the pesticides residues measured in individual apples exceeded the EU Maximum Residue Levels (MRLs). However, there was a large variation in the residues levels in the apples, with levels from 0.01 to 1.4 mg kg−1 for captan, the pesticide with the highest variation, and from 0...

  9. BioVEC: a program for biomolecule visualization with ellipsoidal coarse-graining.

    Science.gov (United States)

    Abrahamsson, Erik; Plotkin, Steven S

    2009-09-01

    Biomolecule Visualization with Ellipsoidal Coarse-graining (BioVEC) is a tool for visualizing molecular dynamics simulation data while allowing coarse-grained residues to be rendered as ellipsoids. BioVEC reads in configuration files, which may be output from molecular dynamics simulations that include orientation output in either quaternion or ANISOU format, and can render frames of the trajectory in several common image formats for subsequent concatenation into a movie file. The BioVEC program is written in C++, uses the OpenGL API for rendering, and is open source. It is lightweight, allows for user-defined settings for and texture, and runs on either Windows or Linux platforms.

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

    CERN Document Server

    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

  11. Characterization of coarse particulate matter in school gyms

    International Nuclear Information System (INIS)

    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

  12. the effect of ceramic waste as coarse aggregate on strength ...

    African Journals Online (AJOL)

    This paper reports the findings on an experimental investigation of the effect of partial replacement of coarse aggregate with ceramic waste on strength properties of concrete. Compressive strength tests were conducted using 150x150x150mm cube specimens, while tensile strength was investigated using 150x300mm ...

  13. Exploration of scaling effects on coarse resolution land surface phenology

    Science.gov (United States)

    A great number of land surface phenoloy (LSP) data have been produced from various coarse resolution satellite datasets and detection algorithms across regional and global scales. Unlike field- measured phenological events which are quantitatively defined with clear biophysical meaning, current LSP ...

  14. Property A and Coarse Embedding for Locally Compact Groups

    DEFF Research Database (Denmark)

    Li, Kang

    spaces (see Article C). Consequently, all locally compact groupswhose weak Haagerup constant is 1 embed coarsely into Hilbert spaces.In a joint work with Brodzki and Cave, we show that exactness of a locally compact second countable group is equivalent to amenability at infinity, which solves an open...

  15. Coarse woody debris metrics in a California oak woodland

    Science.gov (United States)

    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 (

  16. Coarse woody debris in oak woodlands of California.

    Science.gov (United States)

    William D. Tietje; Karen L. Waddell; Justin K. Vreeland; Charles L. Bolsinger

    2002-01-01

    An extensive forest inventory was conducted to estimate the amount and distribution of coarse woody debris (CWD) on 5.6 million ac of woodlands in California that are outside of national forests and reserved areas. Woodlands consist primarily of oak (Quercus spp.) types and are defined as forestland incapable of producing commercial quantities of...

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

    International Nuclear Information System (INIS)

    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. Profuse coarse pulmonary nodules in a patient with lymphangioleiomyomatosis

    DEFF Research Database (Denmark)

    Rasmussen, Daniel B; Shaker, Saher B; Seersholm, Niels

    2014-01-01

    Lymphangioleiomyomatosis (LAM) is a rare disease characterized by progressive cystic destruction of the lungs. We present an unusual radiological presentation of lymphangioleiomyomatosis in a patient followed for 33 years with profuse coarse lung nodules in addition to the classical cystic lesions...

  19. Relating Water and Air Flow Characteristics in Coarse Granular Materials

    DEFF Research Database (Denmark)

    Andreasen, Rune Røjgaard; Canga, Eriona; Kjærgaard, Charlotte

    2013-01-01

    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...

  20. Improved Angle Potentials for Coarse-Grained Molecular Dynamics Simulations

    NARCIS (Netherlands)

    Bulacu, Monica; Goga, Nicolae; Zhao, Wei; Rossi, Giulia; Monticelli, Luca; Periole, Xavier; Tieleman, D. Peter; Marrink, Siewert J.

    Potentials routinely used in atomistic molecular dynamics simulations are not always suitable for modeling systems at coarse-grained resolution. For example, in the calculation of traditional torsion angle potentials, numerical instability is often encountered in the case of very flexible molecules.

  1. A general-purpose coarse-grained molecular dynamics program

    Science.gov (United States)

    Aoyagi, Takeshi; Sawa, Fumio; Shoji, Tatsuya; Fukunaga, Hiroo; Takimoto, Jun-ichi; Doi, Masao

    2002-05-01

    In this article, we describe a general-purpose coarse-grained molecular dynamics program COGNAC ( COarse Grained molecular dynamics program by NAgoya Cooperation). COGNAC has been developed for general molecular dynamics simulation, especially for coarse-grained polymer chain models. COGNAC can deal with general molecular models, in which each molecule consists of coarse-grained atomic units connected by chemical bonds. The chemical bonds are specified by bonding potentials for the stretching, bending and twisting of the bonds, each of which are the functions of the position coordinates of the two, three and four atomic units. COGNAC can deal with both isotropic and anisotropic interactions between the non-bonded atomic units. As an example, the Gay-Berne potential is implemented. New potential functions can be added to the list of existing potential functions by users. COGNAC can do simulations for various situations such as under constant temperature, under constant pressure, under shear and elongational deformation, etc. Some new methods are implemented in COGNAC for modeling multiphase structures of polymer blends and block copolymers. A density biased Monte Carlo method and a density biased potential method can generate equilibrium chain configurations from the results of the self-consistent field calculations. Staggered reflective boundary conditions can generate interfacial structures with smaller system size compared with those of periodic boundary conditions.

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

    African Journals Online (AJOL)

    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 ...

  3. Coarse – grained molecular dynamics simulation of cross – linking ...

    African Journals Online (AJOL)

    In this work we attempt to predict the work of separation of crosslinked diglycidyl ether of bisphenol (A) (DGEBA) adhesive confined between two rigid adherends. To this end we start from merely the molecular structure of DGEBA and coarse grain the molecule into a chain comprised of three superatoms. These three ...

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

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 129; Issue 7. Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of α and β toxin nanopores in lipid membranes. RAJAT DESIKAN SWARNA M PATRA KUMAR SARTHAK PRABAL K MAITI K G AYAPPA. REGULAR ARTICLE ...

  5. Efficient Estimation of Smooth Distributions From Coarsely Grouped Data

    DEFF Research Database (Denmark)

    Rizzi, Silvia; Gampe, Jutta; Eilers, Paul H C

    2015-01-01

    Ungrouping binned data can be desirable for many reasons: Bins can be too coarse to allow for accurate analysis; comparisons can be hindered when different grouping approaches are used in different histograms; and the last interval is often wide and open-ended and, thus, covers a lot of informati...

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  7. Coarse – grained molecular dynamics simulation of cross – linking ...

    African Journals Online (AJOL)

    Coarse – grained molecular dynamics simulation of cross – linking of DGEBA epoxy resin and estimation of the adhesive strength. ... The PDF file you selected should load here if your Web browser has a PDF reader plug-in installed (for example, a recent version of Adobe Acrobat Reader). If you would like more ...

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

    Energy Technology Data Exchange (ETDEWEB)

    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)

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

    Energy Technology Data Exchange (ETDEWEB)

    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)

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

    International Nuclear Information System (INIS)

    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)

  11. Multilevel Methods for Elliptic Problems with Highly Varying Coefficients on Nonaligned Coarse Grids

    Energy Technology Data Exchange (ETDEWEB)

    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.

  12. A general coarse and fine mesh solution scheme for fluid flow modeling in VHTRS

    International Nuclear Information System (INIS)

    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)

  13. Chemical-mineralogical characterisation of coarse recycled concrete aggregate

    International Nuclear Information System (INIS)

    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

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

    Science.gov (United States)

    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.

  15. Date noi privind compozitia mineralogica a siltului lutitic de la Dumbrava, judetul Cluj (New Mineralogical Data on the Clayey Silt from Dumbrava (Cluj County

    Directory of Open Access Journals (Sweden)

    Lucret̡ia Ghergari

    2000-04-01

    Full Text Available New Mineralogical Data on the Clayey Silt from Dumbrava (Cluj County. New mineralogical data on the lutitic silt occurrence from the Dumbrava (Cluj County, Romania, based on TEM and X-ray diffraction studies, are presented in the paper. Mainly kaolinite, and subordinately illite and illite/montmorillonite represent the mineralogical compounds of the clayey fraction of the rock. The lutitic silt represents a local facies, sedimented in subaquatic environments (a small lake or pool after a short-distance transport from the sources. The source for the brown clays was probably a paleosoil formed nearby magmatic rocks. The source for the light coloured clays (creamy gray was the alterated zone of metamorphic rocks.

  16. Effects of creating two forest structures and using prescribed fire on coarse woody debris in northeastern California, USA

    Science.gov (United States)

    Fabian C. C. Uzoh; Carl N. Skinner

    2009-01-01

    Little is known about the dynamics of coarse woody debris (CWD) in forests that were originally characterized by frequent, low-moderate intensity fires. We investigated effects of prescribed burning at the Blacks Mountain Experimental Forest in northeastern California following creation of two stand structure conditions: 1) high structural diversity (HiD) that included...

  17. Elevated gas hydrate saturation within silt and silty clay sediments in the Shenhu area, South China Sea

    Science.gov (United States)

    Wang, Xiujuan; Hutchinson, Deborah R.; Wu, Shiguo; Yang, Shengxiong; Guo, Yiqun

    2011-01-01

    Gas hydrate saturations were estimated using five different methods in silt and silty clay foraminiferous sediments from drill hole SH2 in the South China Sea. Gas hydrate saturations derived from observed pore water chloride values in core samples range from 10 to 45% of the pore space at 190–221 m below seafloor (mbsf). Gas hydrate saturations estimated from resistivity (Rt) using wireline logging results are similar and range from 10 to 40.5% in the pore space. Gas hydrate saturations were also estimated by P wave velocity obtained during wireline logging by using a simplified three-phase equation (STPE) and effective medium theory (EMT) models. Gas hydrate saturations obtained from the STPE velocity model (41.0% maximum) are slightly higher than those calculated with the EMT velocity model (38.5% maximum). Methane analysis from a 69 cm long depressurized core from the hydrate-bearing sediment zone indicates that gas hydrate saturation is about 27.08% of the pore space at 197.5 mbsf. Results from the five methods show similar values and nearly identical trends in gas hydrate saturations above the base of the gas hydrate stability zone at depths of 190 to 221 mbsf. Gas hydrate occurs within units of clayey slit and silt containing abundant calcareous nannofossils and foraminifer, which increase the porosities of the fine-grained sediments and provide space for enhanced gas hydrate formation. In addition, gas chimneys, faults, and fractures identified from three-dimensional (3-D) and high-resolution two-dimensional (2-D) seismic data provide pathways for fluids migrating into the gas hydrate stability zone which transport methane for the formation of gas hydrate. Sedimentation and local canyon migration may contribute to higher gas hydrate saturations near the base of the stability zone.

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

    International Nuclear Information System (INIS)

    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

  19. Coarse grainings and irreversibility in quantum field theory

    International Nuclear Information System (INIS)

    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

  20. Coarse-to-fine region selection and matching

    KAUST Repository

    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.

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

    Directory of Open Access Journals (Sweden)

    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.

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

    Science.gov (United States)

    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...

  3. Towards coarse graining of discrete Lorentzian quantum gravity

    Science.gov (United States)

    Eichhorn, Astrid

    2018-02-01

    A first step towards implementing a notion of coarse graining in an intrinsically Lorentzian, discrete quantum-gravity approach, namely causal set quantum gravity, is taken. It makes use of an abstract notion of scale, based on counting the number of discrete elements. To that end, the space of actions for causal set quantum gravity is written in a matrix-model-like language, and a flow equation for the effective action of the model is derived from the path integral.

  4. Adaptive Genetic Algorithm for Sensor Coarse Signal Processing

    OpenAIRE

    Xuan Huang; Wenhua Zeng

    2014-01-01

    As with the development of computer technology and informatization, network technique, sensor technique and communication technology become three necessary components of information industry. As the core technique of sensor application, signal processing mainly determines the sensor performances. For this reason, study on signal processing mode is very important to sensors and the application of sensor network. In this paper, we introduce a new sensor coarse signal processing mode based on ad...

  5. Enhancing physiologic simulations using supervised learning on coarse mesh solutions.

    Science.gov (United States)

    Kolandaivelu, Kumaran; O'Brien, Caroline C; Shazly, Tarek; Edelman, Elazer R; Kolachalama, Vijaya B

    2015-03-06

    Computational modelling of physical and biochemical processes has emerged as a means of evaluating medical devices, offering new insights that explain current performance, inform future designs and even enable personalized use. Yet resource limitations force one to compromise with reduced order computational models and idealized assumptions that yield either qualitative descriptions or approximate, quantitative solutions to problems of interest. Considering endovascular drug delivery as an exemplary scenario, we used a supervised machine learning framework to process data generated from low fidelity coarse meshes and predict high fidelity solutions on refined mesh configurations. We considered two models simulating drug delivery to the arterial wall: (i) two-dimensional drug-coated balloons and (ii) three-dimensional drug-eluting stents. Simulations were performed on computational mesh configurations of increasing density. Supervised learners based on Gaussian process modelling were constructed from combinations of coarse mesh setting solutions of drug concentrations and nearest neighbourhood distance information as inputs, and higher fidelity mesh solutions as outputs. These learners were then used as computationally inexpensive surrogates to extend predictions using low fidelity information to higher levels of mesh refinement. The cross-validated, supervised learner-based predictions improved fidelity as compared with computational simulations performed at coarse level meshes--a result consistent across all outputs and computational models considered. Supervised learning on coarse mesh solutions can augment traditional physics-based modelling of complex physiologic phenomena. By obtaining efficient solutions at a fraction of the computational cost, this framework has the potential to transform how modelling approaches can be applied in the evaluation of medical technologies and their real-time administration in an increasingly personalized fashion.

  6. Parametrizing coarse grained models for molecular systems at equilibrium

    KAUST Repository

    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.

  7. Coarse-Grained Modeling of Molecular Machines in AAA+ Family

    Science.gov (United States)

    Yoshimoto, Kenji; Brooks, Charles L., III

    2007-03-01

    We present a new coarse-grained model of the large protein complexes which belong to AAA+ (ATPase associated with diverse cellular activities) family. The AAA+ proteins are highly efficient molecular machines driven by the ATP (adenosine triphosphate) binding and hydrolysis and are involved in various cellular events. While a number of groups are developing various coarse-grained models for different AAA+ proteins, the molecular details of ATP binding and hydrolysis are often neglected. In this study, we provide a robust approach to coarse-graining both the AAA+ protein and the ATP (or ADP) molecules. By imposing the distance restraints between the phosphates of the ATP and the neighboring Cα of the proteins, which are used to conserve a typical motif of ATP binding pocket, we are able to predict large conformational changes of the AAA+ proteins, such as replicative hexameric helicases. In the case of the hexameric LTag (large tumor antigen), the backbone RMSD between the predicted ATP-bound structure and the X-ray structure is 1.2 å, and the RMSD between the predicted ADP-bound structure and the X-ray structure is 1.5 å. Using the same approach, we also investigate conformational changes in the hexameric E1 protein, whose X-ray structure was recently solved with ssDNA, and give some insights into the molecular mechanisms of DNA translocation.

  8. Improved Angle Potentials for Coarse-Grained Molecular Dynamics Simulations.

    Science.gov (United States)

    Bulacu, Monica; Goga, Nicolae; Zhao, Wei; Rossi, Giulia; Monticelli, Luca; Periole, Xavier; Tieleman, D Peter; Marrink, Siewert J

    2013-08-13

    Potentials routinely used in atomistic molecular dynamics simulations are not always suitable for modeling systems at coarse-grained resolution. For example, in the calculation of traditional torsion angle potentials, numerical instability is often encountered in the case of very flexible molecules. To improve the stability and accuracy of coarse-grained molecular dynamics simulations, we propose two approaches. The first makes use of improved forms for the angle potentials: the restricted bending (ReB) potential prevents torsion angles from visiting unstable or unphysical configurations and the combined bending-torsion (CBT) potential smoothly flattens the interactions when such configurations are sampled. In the second approach, dummy-assisted dihedral (DAD), the torsion potential is applied differently: instead of acting directly on the beads, it acts on virtual beads, bound to the real ones. For simple geometrical reasons, the unstable region is excluded from the accessible conformational space. The benefits of the new approaches are demonstrated in simulations of polyethylene glycol (PEG), polystyrene (PS), and polypeptide molecules described by the MARTINI coarse-grained force field. The new potentials are implemented in an in-house version of the Gromacs package, publicly available.

  9. Connectivity and percolation of pore networks in a cultivated silt loam soil quantified by X-ray tomography

    Science.gov (United States)

    Jarvis, Nicholas; Koestel, John; Larsbo, Mats

    2016-04-01

    The connectivity of macropore networks is thought to exert an important control on transport processes in soil. However, little progress has been made towards quantifying these effects for natural soils in the field, partly because of the experimental difficulties but also because the concept of connectivity lacks a unique mathematical definition. To investigate this question, X-ray tomography was used to measure pore volume, size distribution and connectivity at an image resolution of 65 microns for 64 samples taken in two consecutive years in the harrowed and ploughed layers of a silt loam soil a few weeks after spring cultivation. Three different connectivity metrics were evaluated and compared: one local metric, the Euler number, and two global measures, the connection probability and the probability of percolation (the fraction of the porosity which is continuous across the sample). The connection probability was found to be a good measure of the long-range connectivity (i.e. continuity) of the pore networks. In contrast, the Euler number was not a sensitive measure of global connectivity, although all samples with negative Euler numbers did percolate. We also found that the way connection is defined in the image analysis (either by 6 or 26 nearest neighbours) did not influence the calculations of percolating porosity. The results also demonstrate that harrowing has a clear homogenizing effect on the distribution of the pore space. However, a comparison with random field simulations and the evidence of small percolation thresholds shows that the macropore system developed in the recently harrowed soil was far from completely random or disordered. In some samples, more than one pore cluster percolated, while in others the percolating cluster was not the largest one. Nevertheless, the macropore networks in this cultivated silt loam soil displayed some key features predicted by percolation theory: a strong relationship was found between the percolating fraction

  10. Quantifying the coarse-root biomass of intensively managed loblolly pine plantations

    Science.gov (United States)

    Ashley T. Miller; H. Lee Allen; Chris A. Maier

    2006-01-01

    Most of the carbon accumulation during a forest rotation is in plant biomass and the forest floor. Most of the belowground biomass in older loblolly pine (Pinus taeda L.) forests is in coarse roots, and coarse roots persist longer after harvest than aboveground biomass and fine roots. The main objective was to assess the carbon accumulation in coarse...

  11. Intellectual disability, coarse face, relative macrocephaly, and cerebellar hypotrophy in two sisters.

    Science.gov (United States)

    Sousa, Sérgio B; Ramos, Fabiana; Garcia, Paula; Pais, Rui P; Paiva, Catarina; Beales, Philip L; Moore, Gudrun E; Saraiva, Jorge M; Hennekam, Raoul C M

    2014-01-01

    We report on two Portuguese sisters with a very similar phenotype characterized by severe intellectual disability, absent speech, relative macrocephaly, coarse face, cerebellar hypotrophy, and severe ataxia. Additional common features include increased thickness of the cranial vault, delayed dental eruption, talipes equino-varus, clinodactyly, and camptodactyly of the fifth finger. The older sister has retinal dystrophy and the younger sister has short stature. Their parents are consanguineous. We suggest this condition constitutes a previously unreported autosomal recessive entity. © 2013 Wiley Periodicals, Inc.

  12. Rapid runoff via shallow throughflow and deeper preferential flow in a boreal catchment underlain by frozen silt (Alaska, USA)

    Science.gov (United States)

    Koch, Joshua C.; Ewing, Stephanie A.; Striegl, Robert G.; McKnight, Diane M.

    2013-01-01

    In high-latitude catchments where permafrost is present, runoff dynamics are complicated by seasonal active-layer thaw, which may cause a change in the dominant flowpaths as water increasingly contacts mineral soils of low hydraulic conductivity. A 2-year study, conducted in an upland catchment in Alaska (USA) underlain by frozen, well-sorted eolian silt, examined changes in infiltration and runoff with thaw. It was hypothesized that rapid runoff would be maintained by flow through shallow soils during the early summer and deeper preferential flow later in the summer. Seasonal changes in soil moisture, infiltration, and runoff magnitude, location, and chemistry suggest that transport is rapid, even when soils are thawed to their maximum extent. Between June and September, a shift occurred in the location of runoff, consistent with subsurface preferential flow in steep and wet areas. Uranium isotopes suggest that late summer runoff erodes permafrost, indicating that substantial rapid flow may occur along the frozen boundary. Together, throughflow and deep preferential flow may limit upland boreal catchment water and solute storage, and subsequently biogeochemical cycling on seasonal to annual timescales. Deep preferential flow may be important for stream incision, network drainage development, and the release of ancient carbon to ecosystems

  13. Parametric study of the physical properties of hydrate-bearing sand, silt, and clay sediments: 1. Electromagnetic properties

    Science.gov (United States)

    Lee, J.Y.; Santamarina, J.C.; Ruppel, C.

    2010-01-01

    The marked decrease in bulk electrical conductivity of sediments in the presence of gas hydrates has been used to interpret borehole electrical resistivity logs and, to a lesser extent, the results of controlled source electromagnetic surveys to constrain the spatial distribution and predicted concentration of gas hydrate in natural settings. Until now, an exhaustive laboratory data set that could be used to assess the impact of gas hydrate on the electromagnetic properties of different soils (sand, silt, and clay) at different effective stress and with different saturations of hydrate has been lacking. The laboratory results reported here are obtained using a standard geotechnical cell and the hydrate-formed tetrahydrofuran (THF), a liquid that is fully miscible in water and able to produce closely controlled saturations of hydrate from dissolved phase. Both permittivity and electrical conductivity are good indicators of the volume fraction of free water in the sediment, which is in turn dependent on hydrate saturation. Permittivity in the microwave frequency range is particularly predictive of free water content since it is barely affected by ionic concentration, pore structure, and surface conduction. Electrical conductivity (or resistivity) is less reliable for constraining water content or hydrate saturation: In addition to fluid-filled porosity, other factors, such as the ionic concentration of the pore fluid and possibly other conduction effects (e.g., surface conduction in high specific surface soils having low conductivity pore fluid), also influence electrical conductivity.

  14. Fingerprinting of glacial silt in lake sediments yields continuous records of alpine glaciation (35–15 ka), western USA

    Science.gov (United States)

    Rosenbaum, Joseph G.; Reynolds, Richard L.; Colman, Steven M.

    2012-01-01

    Fingerprinting glacial silt in last glacial-age sediments from Upper Klamath Lake (UKL) and Bear Lake (BL) provides continuous radiocarbon-dated records of glaciation for the southeastern Cascade Range and northwestern Uinta Mountains, respectively. Comparing of these records to cosmogenic exposure ages from moraines suggests that variations in glacial flour largely reflect glacial extent. The two areas are at similar latitudes and yield similar records of glacial growth and recession, even though UKL lies less than 200 km from the ocean and BL is in the continental interior. As sea level began to fall prior to the global Last Glacial Maximum (LGM), existing glaciers in the UKL area expanded. Near the beginning of the global LGM (26.5 ka), the BL record indicates onset of glaciation and UKL-area glaciers underwent further expansion. Both records indicate that local glaciers reached their maximum extents near the end of the global LGM, remained near their maxima for ~1000 yr, and underwent two stages of retreat separated by a short period of expansion.

  15. Fate of corrosion products released from stainless steel in marine sediments and seawater. Part 2. Sequim Bay clayey silt

    International Nuclear Information System (INIS)

    Schmidt, R.L.

    1982-04-01

    This report describes laboratory experiments in which neutron-activated 347 stainless steel specimens were exposed to clayey silt from Sequim Bay, Washington. The properties and trace metal geochemistry of the sediment and the amounts of corrosion products that were released under oxic and reduced conditions and their distribution among different chemical fractions of the sediment are discussed. The distributions of Cr, Mn, Fe, Ni and Cu among different chemical forms in the Sequim Bay sediment show that DTPA removed <10% of extractable Cr, Fe and Mn, approx. 20% of extractable Ni and approx. 30% of extractable Cu. The inorganic fraction (material soluble in 2.5% acetic acid) accounted for approx. 30% of total extractable Mn and approx. 10% or less of Cr, Fe, Ni and Cu. Major portions of Cr and Cu, and a large amount of Fe were in the organic fraction. Extractable Mn, Fe and Ni were associated with hydrous oxides likely as coatings on the mineral substrate of the sediment. No Co was detectable in any of the extracts

  16. Multiscale design of coarse-grained elastic network-based potentials for the μ opioid receptor.

    Science.gov (United States)

    Fossépré, Mathieu; Leherte, Laurence; Laaksonen, Aatto; Vercauteren, Daniel P

    2016-09-01

    Despite progress in computer modeling, most biological processes are still out of reach when using all-atom (AA) models. Coarse-grained (CG) models allow classical molecular dynamics (MD) simulations to be accelerated. Although simplification of spatial resolution at different levels is often investigated, simplification of the CG potential in itself has been less common. CG potentials are often similar to AA potentials. In this work, we consider the design and reliability of purely mechanical CG models of the μ opioid receptor (μOR), a G protein-coupled receptor (GPCR). In this sense, CG force fields (FF) consist of a set of holonomic constraints guided by an elastic network model (ENM). Even though ENMs are used widely to perform normal mode analysis (NMA), they are not often implemented as a single FF in the context of MD simulations. In this work, various ENM-like potentials were investigated by varying their force constant schemes and connectivity patterns. A method was established to systematically parameterize ENM-like potentials at different spatial resolutions by using AA data. To do so, new descriptors were introduced. The choice of conformation descriptors that also include flexibility information is important for a reliable parameterization of ENMs with different degrees of sensitivity. Hence, ENM-like potentials, with specific parameters, can be sufficient to accurately reproduce AA MD simulations of μOR at highly coarse-grained resolutions. Therefore, the essence of the flexibility properties of μOR can be captured with simple models at different CG spatial resolutions, opening the way to mechanical approaches to understanding GPCR functions. Graphical Abstract All atom structure, residue interaction network and coarse-grained elastic network models of the μ opioid receptor (μOR).

  17. Coarse particles-water mixtures flow in pipes

    Directory of Open Access Journals (Sweden)

    П. Власак

    2017-06-01

    Full Text Available The present paper is focused on evaluation of the effect of average mixture velocity and overall concentration on the pressure drop versus the slurry average velocity relationship, on slurry flow behaviour and local concentration distribution. The experimental investigation was carried out on the pipe loop of inner diameter D =100 mm, which consists of smooth stainless steel pipes and horizontal, inclinable and vertical pipe sections. The frictional pressure drop in the horizontal pipe section were significantly higher than that in the vertical pipe due to the fact, that for stratified flow the contact load produced significant energy losses. The frictional pressure drop of coarse particles mixtures in vertical pipe increased with the increasing mixture concentration and velocity, what confirmed effect of inner friction, inter-particles collision, and the drag due to particle-liquid slip. It was found that for stratified coarse particles-water mixture the frictional pressure drop was not significantly influenced by the pipe inclination, especially for low concentration values. The effect of pipe inclination decreased with increasing mixture velocity in ascending pipe section; the maximum value was reached for inclination between 20 and 40 degrees. Inclination of pressure drop maximum increased with decreasing mixture velocity. In descending pipe section the frictional pressure drop gradually decreased with increasing pipe inclination. The effect of inclination on frictional pressure drops could be practically neglected, especially for low mixture concentration and higher flow velocities. The study revealed that the coarse particle-water 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 [1] was found to

  18. Coarse fraction of soils from building rubble (WWII)

    Science.gov (United States)

    Mekiffer, Beate; Wessolek, Gerd; Scheytt, Traugott; Bussert, Robert; Nehls, Thomas

    2010-05-01

    Soils, resulting from building rubble of WWII are wide spread in whole Europe. The parent material for pedogenesis originates from different kinds of buildings, which where destroyed of different ways. Also the kind of sorting and disposing was varying for this material. So the most important feature of soils, resulting from building rubble of WWII, is their heterogeneity. We investigated samples of soils developed from building rubble to answer the following questions: ­ What are the amounts of coarse fraction and what are their main components? ­ What are the chemical properties and what is the crystalline mineral composition of technogenic components? ­ What is the release of ions from coarse technogenic components? We sieved and hand sorted the materials, used the X-ray diffractometry and X-ray fluorescence spectroscopy and measured the ions released in 1:2-extract. In most cases, the soils have a high amount of coarse fraction (> 2mm) (median 25% w/w, N=52). Dominating components in the coarse fraction are in the order of decreasing abundance: bricks, mortar (incl. plaster and stucco), slag, ashes and unburned coals. The analyzed components show alkalescent to alkaline pH-values. 75% of the samples show low electrical conductivities of up to 141 µS/cm. Bricks mainly consist of Si oxides, followed by oxides of Al, Ca, Fe, Mg and K. X-Ray-diffractometry of bricks showed, that most common minerals are clay minerals (Kaolinit, Illit, Montmorillonit and Chlorit), Quarz, and Carbonates (Calcite and Dolomite, Siderite). Bricks contain Fe-Oxides (Hematite, Goethite), Sulphates and Sulfides (Gypsum, Pyrite, Markasite) in lower amounts. 5-20 % of the minerals are x-ray-amorphous. Mortar is characterized by a high amount of silicates (nearby 80%). The samples showed a lower percentage of Al- and Ca-compounds than bricks. Chemical composition of ashes and slag varies in wide ranges, depending on their genesis. We found mainly ashes from stove heating. They contained

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

    KAUST Repository

    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.

  20. Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM)

    Science.gov (United States)

    Sinitskiy, Anton V.; Voth, Gregory A.

    2018-01-01

    Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used. However, the QM/MM approach often faces a number of challenges, including the high cost of repetitive QM computations, the slow sampling even for the MM part in those cases where a system under investigation has a complex dynamics, and a difficulty in providing a simple, qualitative interpretation of numerical results in terms of the influence of the molecular environment upon the active QM region. In this paper, we address these issues by combining QM/MM modeling with the methodology of "bottom-up" coarse-graining (CG) to provide the theoretical basis for a systematic quantum-mechanical/coarse-grained molecular mechanics (QM/CG-MM) mixed resolution approach. A derivation of the method is presented based on a combination of statistical mechanics and quantum mechanics, leading to an equation for the effective Hamiltonian of the QM part, a central concept in the QM/CG-MM theory. A detailed analysis of different contributions to the effective Hamiltonian from electrostatic, induction, dispersion, and exchange interactions between the QM part and the surroundings is provided, serving as a foundation for a potential hierarchy of QM/CG-MM methods varying in their accuracy and computational cost. A relationship of the QM/CG-MM methodology to other mixed resolution approaches is also discussed.

  1. Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM).

    Science.gov (United States)

    Sinitskiy, Anton V; Voth, Gregory A

    2018-01-07

    Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used. However, the QM/MM approach often faces a number of challenges, including the high cost of repetitive QM computations, the slow sampling even for the MM part in those cases where a system under investigation has a complex dynamics, and a difficulty in providing a simple, qualitative interpretation of numerical results in terms of the influence of the molecular environment upon the active QM region. In this paper, we address these issues by combining QM/MM modeling with the methodology of "bottom-up" coarse-graining (CG) to provide the theoretical basis for a systematic quantum-mechanical/coarse-grained molecular mechanics (QM/CG-MM) mixed resolution approach. A derivation of the method is presented based on a combination of statistical mechanics and quantum mechanics, leading to an equation for the effective Hamiltonian of the QM part, a central concept in the QM/CG-MM theory. A detailed analysis of different contributions to the effective Hamiltonian from electrostatic, induction, dispersion, and exchange interactions between the QM part and the surroundings is provided, serving as a foundation for a potential hierarchy of QM/CG-MM methods varying in their accuracy and computational cost. A relationship of the QM/CG-MM methodology to other mixed resolution approaches is also discussed.

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

    Science.gov (United States)

    Holnbeck, Stephen R.

    2011-01-01

    A primary goal of ongoing field research of bridge scour is improvement of scour-prediction equations so that pier-scour depth is predicted accurately-an important element of hydraulic analysis and design of highway bridges that cross streams, rivers, and other waterways. Scour depth for piers in streambeds with a mixture of sand, gravel, cobbles, and boulders (coarse-bed streams, which are common in Montana) generally is less than the scour depth in finer-grained (sandy) streambeds under similar conditions. That difference is attributed to an armor layer of coarser material. Pier-scour data from the U.S. Geological Survey were used in this study to develop a bed-material correction factor, which was incorporated into the Federal Highway Administration's recommended equation for computing pier scour. This report describes results of a study of pier scour in coarse-bed streams at 59 bridge sites during 2001-2007 in the mountain and foothill regions of western Montana. Respective drainage areas ranged from about 3 square miles (mi2) to almost 20,000 mi2. Data collected and analyzed for this study included 103 pier-scour measurements; the report further describes data collection, shows expansion of the national coarse pier-scour database, discusses use of the new data in evaluation of relative accuracy of various predictive equations, and demonstrates how differences in size and gradation between surface bed material and shallow-subsurface bed material might relate to pier scour. Nearly all measurements were made under clear-water conditions with no incoming sediment supply to the bridge opening. Half of the measurements showed approach velocities that equaled or surpassed the critical velocity for incipient motion of bed material, possibly indicating that measurements were made very near the threshold between clear-water and live-bed scour, where maximum scour was shown in laboratory studies. Data collected in this study were compared to selected pier-scour data from

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

    Directory of Open Access Journals (Sweden)

    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.

  4. Coarse-grained modeling of RNA 3D structure.

    Science.gov (United States)

    Dawson, Wayne K; Maciejczyk, Maciej; Jankowska, Elzbieta J; Bujnicki, Janusz M

    2016-07-01

    Functional RNA molecules depend on three-dimensional (3D) structures to carry out their tasks within the cell. Understanding how these molecules interact to carry out their biological roles requires a detailed knowledge of RNA 3D structure and dynamics as well as thermodynamics, which strongly governs the folding of RNA and RNA-RNA interactions as well as a host of other interactions within the cellular environment. Experimental determination of these properties is difficult, and various computational methods have been developed to model the folding of RNA 3D structures and their interactions with other molecules. However, computational methods also have their limitations, especially when the biological effects demand computation of the dynamics beyond a few hundred nanoseconds. For the researcher confronted with such challenges, a more amenable approach is to resort to coarse-grained modeling to reduce the number of data points and computational demand to a more tractable size, while sacrificing as little critical information as possible. This review presents an introduction to the topic of coarse-grained modeling of RNA 3D structures and dynamics, covering both high- and low-resolution strategies. We discuss how physics-based approaches compare with knowledge based methods that rely on databases of information. In the course of this review, we discuss important aspects in the reasoning process behind building different models and the goals and pitfalls that can result. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  5. Multiple Coarse Grid Multigrid Methods for Solving Elliptic Problems

    Science.gov (United States)

    Xiao, Shengyou; Young, David

    1996-01-01

    In this paper we describe some classes of multigrid methods for solving large linear systems arising in the solution by finite difference methods of certain boundary value problems involving Poisson's equation on rectangular regions. If parallel computing systems are used, then with standard multigrid methods many of the processors will be idle when one is working at the coarsest grid levels. We describe the use of Multiple Coarse Grid MultiGrid (MCGMG) methods. Here one first constructs a periodic set of equations corresponding to the given system. One then constructs a set of coarse grids such that for each grid corresponding to the grid size h there are four grids corresponding to the grid size 2*h. Multigrid operations such as restriction of residuals and interpolation of corrections are done in parallel at each grid level. For suitable choices of the multigrid operators the MCGMG method is equivalent to the Parallel Superconvergent MultiGrid (PSMG) method of Frederickson and McBryan. The convergence properties of MCGMG methods can be accurately analyzed using spectral methods.

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

    Science.gov (United States)

    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.

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

    International Nuclear Information System (INIS)

    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)

  8. Data-driven coarse graining of large biomolecular structures.

    Science.gov (United States)

    Chen, Yi-Ling; Habeck, Michael

    2017-01-01

    Advances in experimental and computational techniques allow us to study the structure and dynamics of large biomolecular assemblies at increasingly higher resolution. However, with increasing structural detail it can be challenging to unravel the mechanism underlying the function of molecular machines. One reason is that atomistic simulations become computationally prohibitive. Moreover it is difficult to rationalize the functional mechanism of systems composed of tens of thousands to millions of atoms by following each atom's movements. Coarse graining (CG) allows us to understand biological structures from a hierarchical perspective and to gradually zoom into the adequate level of structural detail. This article introduces a Bayesian approach for coarse graining biomolecular structures. We develop a probabilistic model that aims to represent the shape of an experimental structure as a cloud of bead particles. The particles interact via a pairwise potential whose parameters are estimated along with the bead positions and the CG mapping between atoms and beads. Our model can also be applied to density maps obtained by cryo-electron microscopy. We illustrate our approach on various test systems.

  9. Coarse to fine: toward an intelligent 3D acquisition system

    Science.gov (United States)

    Daval, V.; Aubreton, O.; Truchetet, F.

    2015-03-01

    The 3D acquisition-compression-processing chain is, most of the time, sequenced into independent stages. As resulting, a large amount of 3D points are acquired whatever the geometry of the object and the processing to be done in further steps. It appears, particularly in mechanical part 3D modeling and in CAD, that the acquisition of such an amount of data is not always mandatory. We propose a method aiming at minimizing the number of 3D points to be acquired with respect to the local geometry of the part and therefore to compress the cloud of points during the acquisition stage. The method we propose is based on a new coarse to fine approach in which from a coarse set of 2D points associated to the local normals the 3D object model is segmented into a combination of primitives. The obtained model is enriched where it is needed with new points and a new primitive extraction stage is performed in the refined regions. This is done until a given precision of the reconstructed object is attained. It is noticeable that contrary to other studies we do not work on a meshed model but directly on the data provided by the scanning device.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  11. Does substrate coarseness matter for foraging ants? An experiment with Lasius niger (Hymenoptera; Formicidae).

    Science.gov (United States)

    Bernadou, Abel; Fourcassié, Vincent

    2008-03-01

    We investigated whether workers of the ant species Lasius niger are able to sense and discriminate the coarseness of the substrate on which they walk. First, we studied the way in which substrate coarseness affects the ants' locomotory behaviour. Second, we investigated the spontaneous preference of ants for substrates of different coarseness. And third, we tested with a differential conditioning procedure the ants' capacity to learn to associate a given coarseness with a food reward. The locomotory behaviour of ants differed according to substrate coarseness: ants moved significantly faster and had more sinuous trajectories on a fine than on a coarse substrate. No spontaneous preference for a substrate of a given coarseness was observed and, even after 20 successive conditioning trials, there was little evidence of the effect of experience on substrate coarseness discrimination. Overall however, ants trained on fine sand made significantly more correct choice than those trained on coarse sand. We discuss these results and argue that in L. niger substrate coarseness may be more important at the collective level, by interacting with the chemical properties of the pheromone trail used in mass recruitment to food source, than at the individual level.

  12. Holliday Junction Thermodynamics and Structure: Coarse-Grained Simulations and Experiments

    Science.gov (United States)

    Wang, Wujie; Nocka, Laura M.; Wiemann, Brianne Z.; Hinckley, Daniel M.; Mukerji, Ishita; Starr, Francis W.

    2016-03-01

    Holliday junctions play a central role in genetic recombination, DNA repair and other cellular processes. We combine simulations and experiments to evaluate the ability of the 3SPN.2 model, a coarse-grained representation designed to mimic B-DNA, to predict the properties of DNA Holliday junctions. The model reproduces many experimentally determined aspects of junction structure and stability, including the temperature dependence of melting on salt concentration, the bias between open and stacked conformations, the relative populations of conformers at high salt concentration, and the inter-duplex angle (IDA) between arms. We also obtain a close correspondence between the junction structure evaluated by all-atom and coarse-grained simulations. We predict that, for salt concentrations at physiological and higher levels, the populations of the stacked conformers are independent of salt concentration, and directly observe proposed tetrahedral intermediate sub-states implicated in conformational transitions. Our findings demonstrate that the 3SPN.2 model captures junction properties that are inaccessible to all-atom studies, opening the possibility to simulate complex aspects of junction behavior.

  13. Parameterizing the Morse potential for coarse-grained modeling of blood plasma

    International Nuclear Information System (INIS)

    Zhang, Na; Zhang, Peng; Kang, Wei; Bluestein, Danny; Deng, Yuefan

    2014-01-01

    Multiscale simulations of fluids such as blood represent a major computational challenge of coupling the disparate spatiotemporal scales between molecular and macroscopic transport phenomena characterizing such complex fluids. In this paper, a coarse-grained (CG) particle model is developed for simulating blood flow by modifying the Morse potential, traditionally used in Molecular Dynamics for modeling vibrating structures. The modified Morse potential is parameterized with effective mass scales for reproducing blood viscous flow properties, including density, pressure, viscosity, compressibility and characteristic flow dynamics of human blood plasma fluid. The parameterization follows a standard inverse-problem approach in which the optimal micro parameters are systematically searched, by gradually decoupling loosely correlated parameter spaces, to match the macro physical quantities of viscous blood flow. The predictions of this particle based multiscale model compare favorably to classic viscous flow solutions such as Counter-Poiseuille and Couette flows. It demonstrates that such coarse grained particle model can be applied to replicate the dynamics of viscous blood flow, with the advantage of bridging the gap between macroscopic flow scales and the cellular scales characterizing blood flow that continuum based models fail to handle adequately

  14. Pipeline for inferring protein function from dynamics using coarse-grained molecular mechanics forcefield.

    Science.gov (United States)

    Bhadra, Pratiti; Pal, Debnath

    2017-04-01

    Dynamics is integral to the function of proteins, yet the use of molecular dynamics (MD) simulation as a technique remains under-explored for molecular function inference. This is more important in the context of genomics projects where novel proteins are determined with limited evolutionary information. Recently we developed a method to match the query protein's flexible segments to infer function using a novel approach combining analysis of residue fluctuation-graphs and auto-correlation vectors derived from coarse-grained (CG) MD trajectory. The method was validated on a diverse dataset with sequence identity between proteins as low as 3%, with high function-recall rates. Here we share its implementation as a publicly accessible web service, named DynFunc (Dynamics Match for Function) to query protein function from ≥1 µs long CG dynamics trajectory information of protein subunits. Users are provided with the custom-developed coarse-grained molecular mechanics (CGMM) forcefield to generate the MD trajectories for their protein of interest. On upload of trajectory information, the DynFunc web server identifies specific flexible regions of the protein linked to putative molecular function. Our unique application does not use evolutionary information to infer molecular function from MD information and can, therefore, work for all proteins, including moonlighting and the novel ones, whenever structural information is available. Our pipeline is expected to be of utility to all structural biologists working with novel proteins and interested in moonlighting functions. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Consolidation and compaction as a means to prevent settlement of bentonite/sandy silt mixes for use in waste disposal sites

    International Nuclear Information System (INIS)

    Abeele, W.V.

    1985-01-01

    The texture of the local Los Alamos tuff is that of a sandy silt with a high hydraulic conductivity. The permeability is dramatically decreased by addition of small amounts of bentonite. The coefficient of consolidation for bentonite/sandy silt ratios decreases inversely proportional with the square of that ratio, whereas the compression index, the swelling index, and the permeability change index increase with increasing bentonite ratio. A strong relationship also exists between the void ratio and the logarithm of the applied stress for any given bentonite ratio. The empirical linear relationship between the void ratio and the logarithm of the applied stress, developed by Taylor, is excellent and enables us to limit the evaluation of conductivity at any void ratio to the measurement of the initial and the desired void ratio, the initial conductivity, and the permeability change index. The decrease in void ratio caused by consolidation or natural compaction of the mixes are scrutinized. Examples of expected settlement and subsidence are calculated based on the known geotechnical characteristics of bentonite/sandy silt mixes. Remedial actions, i.e., means to limit the amount of settlement, are considered. We finally discuss our field experiment, which studies the influence of subsidence on layered systems in general and on biobarriers in particular. 15 refs., 5 tabs

  16. Coarse-grain parallelism using remote method invocation

    Energy Technology Data Exchange (ETDEWEB)

    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)

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  19. Coarse-grain parallelism using remote method invocation

    International Nuclear Information System (INIS)

    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)

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

    International Nuclear Information System (INIS)

    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)

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

    Energy Technology Data Exchange (ETDEWEB)

    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)

  2. Can mud (silt and clay) concentration be used to predict soil organic carbon content within seagrass ecosystems?

    KAUST Repository

    Serrano, Oscar

    2016-09-07

    The emerging field of blue carbon science is seeking cost-effective ways to estimate the organic carbon content of soils that are bound by coastal vegetated ecosystems. Organic carbon (C-org) content in terrestrial soils and marine sediments has been correlated with mud content (i.e., silt and clay, particle sizes <63 mu m), however, empirical tests of this theory are lacking for coastal vegetated ecosystems. Here, we compiled data (n = 1345) on the relationship between C-org and mud contents in seagrass ecosystems (79 cores) and adjacent bare sediments (21 cores) to address whether mud can be used to predict soil C-org content. We also combined these data with the delta C-13 signatures of the soil C-org to understand the sources of Corg stores. The results showed that mud is positively correlated with soil C-org content only when the contribution of seagrass-derived C-org to the sedimentary C-org pool is relatively low, such as in small and fast-growing meadows of the genera Zostera, Halodule and Halophila, and in bare sediments adjacent to seagrass ecosystems. In large and long-living seagrass meadows of the genera Posidonia and Amphibolis there was a lack of, or poor relationship between mud and soil C-org content, related to a higher contribution of seagrass-derived C-org to the sedimentary C-org pool in these meadows. The relatively high soil C-org contents with relatively low mud contents (e.g., mud-C-org saturation) in bare sediments and Zostera, Halodule and Halophila meadows was related to significant allochthonous inputs of terrestrial organic matter, while higher contribution of seagrass detritus in Amphibolis and Posidonia meadows disrupted the correlation expected between soil C-org and mud contents. This study shows that mud is not a universal proxy for blue carbon content in seagrass ecosystems, and therefore should not be applied generally across all seagrass habitats. Mud content can only be used as a proxy to estimate soil C-org content for

  3. Classical predictability and coarse-grained evolution of the quantum baker's map

    International Nuclear Information System (INIS)

    Scherer, Artur; Soklakov, Andrei N.; Schack, Ruediger

    2006-01-01

    We investigate how classical predictability of the coarse-grained evolution of the quantum baker's map depends on the character of the coarse-graining. Our analysis extends earlier work by Brun and Hartle [Phys. Rev. D 60, 123503 (1999)] to the case of a chaotic map. To quantify predictability, we compare the rate of entropy increase for a family of coarse-grainings in the decoherent histories formalism. We find that the rate of entropy increase is dominated by the number of scales characterizing the coarse-graining

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  5. Discriminating silt-and-clay from suspended-sand in rivers using side-looking acoustic profilers

    Science.gov (United States)

    Wright, Scott A.; Topping, David J.; Williams, Cory A.

    2010-01-01

    techniques rely on measurements of ancillary properties that correlate with suspended-sediment concentration and particle size and thus require the collection of traditional samples for calibration. Through in situ deployments, these methods can provide the high temporal resolution that cannot be achieved through traditional sampling. Here we focus on the evaluation of acoustic profiling techniques (e.g. acoustic-Doppler sideways-looking profilers, or ADPs). One major advantage of acoustic profiling is the ability to concurrently measure water velocity (using Doppler-shift methods) and suspended-sediment concentration such that suspended-sediment flux can be directly computed using data from a single instrument. Acoustic-Doppler profilers have become popular for measuring water velocity and discharge in rivers, through both moving-boat operations and from fixed deployments such as bank-mounted sideways-looking instruments (Hirsch and Costa, 2004, Muste et al., 2007). The method presented herein is most suited to sideways-looking applications as a complement to the "index velocity" technique, whereby an index velocity from a sideways-looking instrument is related to the cross-section average velocity (determined from moving-boat discharge measurements) as a means for developing a continuous water-discharge record (Ruhl and Simpson, 2005). Topping et al. (2007) presented a method for discriminating silt-and-clay from suspended sand, using single frequency ADPs. This method takes advantage of the relations among acoustic backscatter, sediment-induced acoustic attenuation, suspended-sediment concentration (SSC), and particle size distribution (PSD). Backscatter is the amount of sound scattered back and received at the transducer while sediment-induced attenuation is the amount of sound scattered in other directions and absorbed by the sediment particles. Both of these parameters can be measured with an ADP, and their different dependencies on SSC and PSD allow for the

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

    Science.gov (United States)

    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.

  7. Coarse-grained entropy decrease and phase-space focusing in Hamiltonian dynamics

    International Nuclear Information System (INIS)

    Pattanayak, Arjendu K.; Brooks, Daniel W.C.; Fuente, Anton de la; Uricchio, Lawrence; Holby, Edward; Krawisz, Daniel; Silva, Jorge I.

    2005-01-01

    We analyze the behavior of the coarse-grained entropy for classical probabilities in nonlinear Hamiltonians. We focus on the result that if the trajectory dynamics are integrable, the probability ensemble shows transient increases in the coherence, corresponding to an increase in localization of the ensemble and hence the phase-space density of the ensemble. We discuss the connection of these dynamics to the problem of cooling in atomic ensembles. We show how these dynamics can be understood in terms of the behavior of individual trajectories, allowing us to manipulate ensembles to create 'cold' dense final ensembles. We illustrate these results with an analysis of the behavior of particular nonlinear integrable systems, including discussions of the spin-echo effect and the seeming violation of Liouville's theorem

  8. Secondary Structure Analysis of Native Cellulose by Molecular Dynamics Simulations with Coarse Grained Model

    Science.gov (United States)

    Wu, Shuai; Zhan, Hai-yi; Wang, Hong-ming; Ju, Yan

    2012-04-01

    The secondary structure of different Iβ cellulose was analyzed by a molecular dynamics simulation with MARTINI coarse-grained force field, where each chain of the cellulose includes 40 D-glucoses units. Calculation gives a satisfied description about the secondary structure of the cellulose. As the chain number increasing, the cellulose becomes the form of a helix, with the diameter of screw growing and spiral rising. Interestingly, the celluloses with chain number N 4 of 6, 24 and 36 do show right-hand twisting. On the contrast, the celluloses with N 8 of 12, 16 chains are left-hand twisting. These simulations indicate that the cellulose with chain number larger than 36 will break down to two parts. Besides, the result indicates that 36-chains cellulose model is the most stable among all models. Furthermore, the Lennard-Jones potential determines the secondary structure. In addition, an equation was set up to analyze the twisting structure.

  9. Transformation and VHDL Code Generation from Coarse-grained Data flow Graph

    Energy Technology Data Exchange (ETDEWEB)

    Oh, M.W.; Ha, S.H. [Seoul National University, Seoul (Korea, Republic of)

    1998-12-01

    This paper discusses how we generate VHDL codes for DSP applications described in data flow graphs. Because the generated VHDL code implements the details of the control structure, we can easily transform it into a running circuit without any modifications, using logic synthesis tools. To improve the quality of the synthesized circuit we apply some graph transformation techniques to the original data flow graph. We mainly consider coarse-grained data flow graphs in which each node corresponds to an IP component of considerable size. The proposed facility is very useful for data flow graph based high level design tools, including our co design framework PeaCE (Ptolemy extension as Codesign Environment). (author). 12 refs., 7 figs., 1 tab.

  10. Durability and Shrinkage Characteristics of Self-Compacting Concretes Containing Recycled Coarse and/or Fine Aggregates

    Directory of Open Access Journals (Sweden)

    Mehmet Gesoglu

    2015-01-01

    Full Text Available This paper addresses durability and shrinkage performance of the self-compacting concretes (SCCs in which natural coarse aggregate (NCA and/or natural fine aggregate (NFA were replaced by recycled coarse aggregate (RCA and/or recycled fine aggregate (RFA, respectively. A total of 16 SCCs were produced and classified into four series, each of which included four mixes designed with two water to binder (w/b ratios of 0.3 and 0.43 and two silica fume replacement levels of 0 and 10%. Durability properties of SCCs were tested for rapid chloride penetration, water sorptivity, gas permeability, and water permeability at 56 days. Also, drying shrinkage accompanied by the water loss and restrained shrinkage of SCCs were monitored over 56 days of drying period. Test results revealed that incorporating recycled coarse and/or fine aggregates aggravated the durability properties of SCCs tested in this study. The drying shrinkage and restrained shrinkage cracking of recycled aggregate (RA concretes had significantly poorer performance than natural aggregate (NA concretes. The time of cracking greatly prolonged as the RAs were used along with the increase in water/binder ratio.

  11. A 2.5-million-year perspective on coarse-filter strategies for conserving nature's stage.

    Science.gov (United States)

    Gill, Jacquelyn L; Blois, Jessica L; Benito, Blas; Dobrowski, Solomon; Hunter, Malcolm L; McGuire, Jenny L

    2015-06-01

    Climate change will require novel conservation strategies. One such tactic is a coarse-filter approach that focuses on conserving nature's stage (CNS) rather than the actors (individual species). However, there is a temporal mismatch between the long-term goals of conservation and the short-term nature of most ecological studies, which leaves many assumptions untested. Paleoecology provides a valuable perspective on coarse-filter strategies by marshaling the natural experiments of the past to contextualize extinction risk due to the emerging impacts of climate change and anthropogenic threats. We reviewed examples from the paleoecological record that highlight the strengths, opportunities, and caveats of a CNS approach. We focused on the near-time geological past of the Quaternary, during which species were subjected to widespread changes in climate and concomitant changes in the physical environment in general. Species experienced a range of individualistic responses to these changes, including community turnover and novel associations, extinction and speciation, range shifts, changes in local richness and evenness, and both equilibrium and disequilibrium responses. Due to the dynamic nature of species responses to Quaternary climate change, a coarse-filter strategy may be appropriate for many taxa because it can accommodate dynamic processes. However, conservationists should also consider that the persistence of landforms varies across space and time, which could have potential long-term consequences for geodiversity and thus biodiversity. © 2015 Society for Conservation Biology.

  12. Spatial variability of fine and coarse particle composition and sources in Cyprus

    Science.gov (United States)

    Achilleos, Souzana; Wolfson, Jack M.; Ferguson, Stephen T.; Kang, Choong-Min; Hadjimitsis, Diofantos G.; Hadjicharalambous, Marios; Achilleos, Constantia; Christodoulou, Andri; Nisanzti, Argyro; Papoutsa, Christiana; Themistocleous, Kyriacos; Athanasatos, Spyros; Perdikou, Skevi; Koutrakis, Petros

    2016-03-01

    Southern and Eastern European countries exceed WHO and EU air quality standards very often, and are influenced by both local and external sources from Europe, Asia and Africa. However, there are limited data on particle composition and source profiles. We collected PM2.5 and PM10 samples (particulate matter with aerodynamic diameter less than 2.5 and 10 μm, respectively) in four cities in Cyprus using Harvard Impactors. Measurements were conducted between January 2012 and January 2013. We analyzed these samples for mass concentration and chemical composition, and conducted a source apportionment analysis using Positive Matrix Factorization (PMF). All sites complied with PM2.5 and PM10 WHO daily standards for most of the days. As in other Eastern European countries, we found higher sulfate contribution and less organic carbon than in the Western and central Europe. For PM2.5, seven source types were identified including regional sulfur, traffic emissions, biomass, re-suspended soil, oil combustion, road dust, and sea salt. In all four sites, regional sulfur was the predominant source (> 30%). High inter-site correlations were observed for both PM2.5 component concentrations and source contributions, may be because a large fraction of PM2.5 is transported. Finally, for PM10 -2.5 (coarse particles with aerodynamic diameter between 2.5 and 10 μm) three sources were identified, which include road dust, soil, and sea salt. Significant inter-site correlations were also observed for coarse particles. All dust storm samples, except one, had PM levels below the daily standard. However, mineral dust, defined as the total mass of crustal metal oxides, increased up to ten times during the dust events.

  13. A coarse-grained model for synergistic action of multiple enzymes on cellulose

    Directory of Open Access Journals (Sweden)

    Asztalos Andrea

    2012-08-01

    Full Text Available Abstract Background Degradation of cellulose to glucose requires the cooperative action of three classes of enzymes, collectively known as cellulases. Endoglucanases randomly bind to cellulose surfaces and generate new chain ends by hydrolyzing β-1,4-D-glycosidic bonds. Exoglucanases bind to free chain ends and hydrolyze glycosidic bonds in a processive manner releasing cellobiose units. Then, β-glucosidases hydrolyze soluble cellobiose to glucose. Optimal synergistic action of these enzymes is essential for efficient digestion of cellulose. Experiments show that as hydrolysis proceeds and the cellulose substrate becomes more heterogeneous, the overall degradation slows down. As catalysis occurs on the surface of crystalline cellulose, several factors affect the overall hydrolysis. Therefore, spatial models of cellulose degradation must capture effects such as enzyme crowding and surface heterogeneity, which have been shown to lead to a reduction in hydrolysis rates. Results We present a coarse-grained stochastic model for capturing the key events associated with the enzymatic degradation of cellulose at the mesoscopic level. This functional model accounts for the mobility and action of a single cellulase enzyme as well as the synergy of multiple endo- and exo-cellulases on a cellulose surface. The quantitative description of cellulose degradation is calculated on a spatial model by including free and bound states of both endo- and exo-cellulases with explicit reactive surface terms (e.g., hydrogen bond breaking, covalent bond cleavages and corresponding reaction rates. The dynamical evolution of the system is simulated by including physical interactions between cellulases and cellulose. Conclusions Our coarse-grained model reproduces the qualitative behavior of endoglucanases and exoglucanases by accounting for the spatial heterogeneity of the cellulose surface as well as other spatial factors such as enzyme crowding. Importantly, it captures

  14. Function of a deltaic silt deposit as a repository and long-term source of sulfate and related weathering products in a glaciofluvial aquifer derived from organic-rich shale (North Dakota, USA)

    Science.gov (United States)

    Schuh, W. M.; Bottrell, S. H.

    2014-05-01

    A shallow unconfined glaciofluvial aquifer in North Dakota (USA) has largest groundwater sulfate concentrations near the bottom boundary. A deltaic silt layer underlying the aquifer, at >16 m, is the modern proximate sulfate source for the aquifer. The original sulfate source was pyrite in the organic-rich shale component of the aquifer and silt grain matrix. An oxidizing event occurred during which grain-matrix pyrite sulfur was oxidized to sulfate. Thereafter the silt served as a "conserving" layer, slowly feeding sulfate into the lower part of the aquifer and the underlying till. A method was developed for estimating the approximate initial sulfate concentration in the source layer and the redistribution time since the oxidizing event, using a semi-generic convection-dispersion model. The convection-dispersion model and a model for the evolution of modern sulfate δ 34S in silt-layer pore water from the initial grain-matrix pyrite δ 34S, both estimated that the oxidizing event occurred several thousand years ago, and was likely related to the dry conditions of the Hypsithermal Interval. The silt layer also serves as an arsenic source. Results indicate that deltaic silts derived from organic-rich shale parent materials in a glacial environment can provide long-term sources for sulfate and arsenic and possibly other related oxidative weathering products.

  15. Coarse-grained molecular dynamics simulation of DNA translocation in chemically modified nanopores.

    Science.gov (United States)

    Ramachandran, Abhijit; Guo, Qingjiang; Iqbal, Samir M; Liu, Yaling

    2011-05-19

    Solid-state nanopores provide a direct means to detect and analyze DNA and proteins. In a typical setup, the DNA molecules travel through a nanopore under electrophoretic voltage bias. The nanopore is sandwiched between two chambers that are filled with ionic solution. A major challenge in using solid-state nanopores for DNA sequencing and gene detection is to improve their selectivity and detection sensitivity. To achieve these goals, one solution is to functionalize the nanopores by chemically modifying the pore walls with silanes or nucleic acids. However, little is known about molecular interactions in functionalized nanopores. This paper presents DNA translocation dynamics and the mechanism of DNA sequencing in a functionalized nanopore through a coarse-grained molecular dynamics model. The DNA nucleotide is coarse-grained into two interaction sites: one site corresponds to the base group and the other encompasses the phosphate and sugar groups. The water molecules are included in the model implicitly through Langevin dynamics. The coarse-grained model immensely improves the computational efficiency while still capturing the essential translocation dynamics. The model characterizes important physical properties of functionalized nanopores such as the effective pore diameter and effect of biasing voltage on the DNA translocation dynamics. The model reveals a nonlinear relationship between translocation speed of DNA and applied voltage. Moreover, DNA translocation in nanopores functionalized with hairpin-loop (HPL) DNA and single-stranded DNA (ss-DNA) shows significant differences: a target DNA is found to translocate through a ss-DNA coated nanopore 9 times faster than through an HPL coated one at a bias of 100 mV, putatively from lower stiffness of ss-DNA than that for HPL. The DNA translocation speed is also largely influenced by interaction potential between the DNA and surface-tethered molecules. The results reveal that such selective translocation

  16. Multistage point relascope and randomized branch sampling for downed coarse woody debris estimation

    Science.gov (United States)

    Jeffrey H. Gove; Mark J. Ducey; Harry T. Valentine

    2002-01-01

    New sampling methods have recently been introduced that allow estimation of downed coarse woody debris using an angle gauge, or relascope. The theory behind these methods is based on sampling straight pieces of downed coarse woody debris. When pieces deviate from this ideal situation, auxillary methods must be employed. We describe a two-stage procedure where the...

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

    Science.gov (United States)

    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...

  18. Theory of Wavelet-Based Coarse-Graining Hierarchies for Molecular Dynamics

    Science.gov (United States)

    2017-04-01

    atomistic to the mesoscale and back: coarse graining an azobenzene liquid crystal. Soft Matter. 2008;4:859-869. 25. Ismail AE, Rutledge GC, Stephanopoulos G...Ismail AE, Stephanopoulos G, Rutledge GC. Topological coarse graining of polymer chains using wavelet-accelerated Monte Carlo. II. Self-avoiding chains. J

  19. mineral elements content of some coarse grains used as staple food

    African Journals Online (AJOL)

    DR. AMINU

    2014-06-01

    Jun 1, 2014 ... Analysis of mineral elements were carried out on some coarse grains used as staple food in Kano ... major part of human diets, are the most widely staple food used. At present, coarse grains have attracted more attention to common diet because they contain ..... retention of ascorbic acid, riboflavin and.

  20. Characterization of coarse woody debris across a 100 year chronosequence of upland oak-hickory forest

    Science.gov (United States)

    Travis W. Idol; Phillip E. Pope; Rebecca A. Figler; Felix Ponder Jr.

    1999-01-01

    Coarse woody debris is an important component influencing forest nutrient cycling and contributes to long-term soil productivity. The common practice of classifying coarse woody debris into different decomposition classes has seldom been related to the chemistry/biochemistry of the litter, which is the long term objective of our research. The objective of this...

  1. A Column Arrangement Algorithm for a Coarse-grained Reconfigurable Architecture

    NARCIS (Netherlands)

    Guo, Y.; Hoede, C.; Plaks, T.P.; DeMara, R.; Gokhale, M.; Guccione, S.; Platzner, M.; Smit, Gerardus Johannes Maria; Wirthlin, M.

    In a coarse-grained reconfigurable architecture, the functions of resources such as Arithmetic Logic Units (ALUs) can be reconfigured. Unlike the programmability of a general purpose processor, the programmability of a coarse-grained reconfigurable architecture is limited. The limitation might be

  2. Small proportions of silt linked to distinct and predictable differences in marine macrofaunal assemblages on the continental shelf of the Pacific Northwest

    Science.gov (United States)

    Henkel, S. K.; Politano, K. K.

    2017-07-01

    Increasing interest in offshore development has motivated intensified efforts to map the seafloor for marine spatial planning. However, surficial geologic maps do not accurately represent habitats for various species groups of concern. This study used a bottom-up approach to integrate macrofaunal densities and benthic conditions on the Pacific Northwest shelf to identify macrofaunal assemblages and associated habitat features. Benthic cores and water-column profiles were collected from 137 stations from 50 to 110 m depth. Analyses grouping stations based on both similar species abundances and benthic conditions resulted in six broad habitats. Within the sampled depth and latitudinal range, sediment characteristics were the primary structuring variable. A major break in assemblages was detected between sediment that had less than 1% silt/clay and those containing more than 1% silt/clay. Assemblages differed primarily in the bivalve species present and secondarily in polychaete species. Within the greater than and less than 1% silt/clay habitats, further discretization of assemblages was based mostly on differing abundances of characteristic bivalves and polychaetes associated with differing median grain sizes, which did not correspond to traditional definitions of fine or medium sand. These data show that a bottom-up methodology is necessary to discern habitats for macrofauna and that site-specific physical sampling is necessary to predict macrofaunal assemblage composition. However, if detailed sediment characteristics are known, macrofaunal assemblages may be predicted without time-intensive biological sampling and processing. These results also indicate that seemingly small sedimentary changes due to offshore installations may have measureable effects on the relative abundances and even the species composition of macrofauna.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  5. Coarse graining of star-polymer--colloid nanocomposites.

    Science.gov (United States)

    Marzi, Daniela; Likos, Christos N; Capone, Barbara

    2012-07-07

    We consider mixtures of self-avoiding multiarm star polymers with hard colloids that are smaller than the star polymer size. By employing computer simulations, and by extending previous theoretical approaches, developed for the opposite limit of small star polymers [A. Jusufi et al., J. Phys.: Condens. Matter 13, 6177 (2001)], we coarse-grain the mixture by deriving an effective cross-interaction between the unlike species. The excellent agreement between theory and simulation for all size ratios examined demonstrates that the theoretical approaches developed for the colloidal limit can be successfully modified to maintain their validity also for the present case of the protein limit, in contrast to the situation for mixtures of colloids and linear polymers. We further analyze, on the basis of the derived interactions, the non-additivity parameter of the mixture as a function of size ratio and star functionality and delineate the regions in which we expect mixing as opposed to demixing behavior. Our results are relevant for the study of star-colloid nanocomposites and pave the way for further investigations of the structure and thermodynamics of the same.

  6. Coarse-grained molecular simulations of allosteric cooperativity

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    Science.gov (United States)

    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.

  9. Emerging dynamics arising from coarse-grained quantum systems

    Science.gov (United States)

    Duarte, Cristhiano; Carvalho, Gabriel Dias; Bernardes, Nadja K.; de Melo, Fernando

    2017-09-01

    The purpose of physics is to describe nature from elementary particles all the way up to cosmological objects like cluster of galaxies and black holes. Although a unified description for all this spectrum of events is desirable, this would be highly impractical. To not get lost in unnecessary details, effective descriptions are mandatory. Here we analyze the dynamics that may emerge from a full quantum description when one does not have access to all the degrees of freedom of a system. More concretely, we describe the properties of the dynamics that arise from quantum mechanics if one has access only to a coarse-grained description of the system. We obtain that the effective maps are not necessarily of Kraus form, due to correlations between accessible and nonaccessible degrees of freedom, and that the distance between two effective states may increase under the action of the effective map. We expect our framework to be useful for addressing questions such as the thermalization of closed quantum systems, as well as the description of measurements in quantum mechanics.

  10. A coarse-grained model for DNA origami

    Science.gov (United States)

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

    2018-01-01

    Abstract 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. PMID:29267876

  11. Thermodynamics of star polymer solutions: A coarse-grained study

    Science.gov (United States)

    Menichetti, Roberto; Pelissetto, Andrea; Randisi, Ferdinando

    2017-06-01

    We consider a coarse-grained (CG) model with pairwise interactions, suitable to describe low-density solutions of star-branched polymers of functionality f. Each macromolecule is represented by a CG molecule with (f + 1) interaction sites, which captures the star topology. Potentials are obtained by requiring the CG model to reproduce a set of distribution functions computed in the microscopic model in the zero-density limit. Explicit results are given for f = 6, 12, and 40. We use the CG model to compute the osmotic equation of state of the solution for concentrations c such that Φp=c /c*≲1 , where c* is the overlap concentration. We also investigate in detail the phase diagram for f = 40, identifying the boundaries of the solid intermediate phase. Finally, we investigate how the polymer size changes with c. For Φp≲0.3 , polymers become harder as f increases at fixed reduced concentration c /c*. On the other hand, for Φp≳0.3 , polymers show the opposite behavior: At fixed Φp, the larger the value of f, the larger their size reduction is.

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  14. Coarse cluster enhancing collaborative recommendation for social network systems

    Science.gov (United States)

    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.

  15. Coarse-grained potentials of single-walled carbon nanotubes

    Science.gov (United States)

    Zhao, Junhua; Jiang, Jin-Wu; Wang, Lifeng; Guo, Wanlin; Rabczuk, Timon

    2014-11-01

    We develop the coarse-grained (CG) potentials of single-walled carbon nanotubes (SWCNTs) in CNT bundles and buckypaper for the study of the static and dynamic behaviors. The explicit expressions of the CG stretching, bending and torsion potentials for the nanotubes are obtained by the stick-spiral and the beam models, respectively. The non-bonded CG potentials between two different CG beads are derived from analytical results based on the cohesive energy between two parallel and crossing SWCNTs from the van der Waals interactions. We show that the CG model is applicable to large deformations of complex CNT systems by combining the bonded potentials with non-bonded potentials. Checking against full atom molecular dynamics calculations and our analytical results shows that the present CG potentials have high accuracy. The established CG potentials are used to study the mechanical properties of the CNT bundles and buckypaper efficiently at minor computational cost, which shows great potential for the design of micro- and nanomechanical devices and systems.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

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

    Directory of Open Access Journals (Sweden)

    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.

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

    Science.gov (United States)

    Ceres, N.; Lavery, R.

    2015-12-01

    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.

  19. A coarse-grained model for DNA origami.

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  1. Surface Mass Balance Distributions: Downscaling of Coarse Climates to drive Ice Sheet Models realistically

    Science.gov (United States)

    Rodehacke, Christian; Mottram, Ruth; Langen, Peter; Madsen, Marianne; Yang, Shuting; Boberg, Fredrik; Christensen, Jens

    2017-04-01

    The surface mass balance (SMB) is the most import boundary conditions for the state of glaciers and ice sheets. Hence its representation in numerical model simulations is of highest interest for glacier, ice cap and ice sheet modeling efforts. While descent SMB distributions of the current climate could be interfered with the help of various observation techniques and platforms, its construction for older past and future climates relies on input from spatially coarse resolved global climate models or reconstructions. These coarse SMB estimates with a footprint in the order of 100 km could hardly resolve the marginal ablations zones where the Greenland ice sheets, for instance, loses snow and ice. We present a downscaling method that is based on the physical calculation of the surface mass and energy balance. By the consequent application of universal and computationally cheap parameterizations we get an astonishing good representation of the SMB distribution including its marginal ablation zone. However the method has its limitations; for example wrong accumulation rates due to an insufficient precipitation field leaves its imprint on the SMB distribution. Also the still not satisfactory description of the bare ice albedo, in particular, in parts of Greenland is a challenge. We inspect our Greenland SMB fields' for various forcings and compare them with some widely used reference fields in the community to highlight the weakness and strength of our approach. We use the ERA-Interim reanalyzes period starting in 1979 directly as well as dynamically downscaled by our regional climate model HIRHAM (5 km resolution). Also SMB distributions obtained from the climate model EC-Earth with a resolution of T159 (approx. 125 km resolution in Greenland) are used either directly or downscaled with our regional climate model HIRHAM. Model-based End-of-the-century SMB estimates give an outlook of the future.

  2. Design of a rotamer library for coarse-grained models in protein-folding simulations.

    Science.gov (United States)

    Larriva, María; Rey, Antonio

    2014-01-27

    Rotamer libraries usually contain geometric information to trace an amino acid side chain, atom by atom, onto a protein backbone. These libraries have been widely used in protein design, structure refinement and prediction, homology modeling, and X-ray and NMR structure validation. However, they usually present too much information and are not always fully compatible with the coarse-grained models of the protein geometry that are frequently used to tackle the protein-folding problem through molecular simulation. In this work, we introduce a new backbone-dependent rotamer library for side chains compatible with low-resolution models in polypeptide chains. We have dispensed with an atomic description of proteins, representing each amino acid side chain by its geometric center (or centroid). The resulting rotamers have been estimated from a statistical analysis of a large structural database consisting of high-resolution X-ray protein structures. As additional information, each rotamer includes the frequency with which it has been found during the statistical analysis. More importantly, the library has been designed with a careful control to ensure that the vast majority of side chains in protein structures (at least 95% of residues) are properly represented. We have tested our library using an independent set of proteins, and our results support a good correlation between the reconstructed centroids from our rotamer library and those in the experimental structures. This new library can serve to improve the definition of side chain centroids in coarse-grained models, avoiding at the same time an excessive additional complexity in a geometric model for the polypeptide chain.

  3. Multiscale Modeling at Nanointerfaces: Polymer Thin Film Materials Discovery via Thermomechanically Consistent Coarse Graining

    Science.gov (United States)

    Hsu, David D.

    Due to high nanointerfacial area to volume ratio, the properties of "nanoconfined" polymer thin films, blends, and composites become highly altered compared to their bulk homopolymer analogues. Understanding the structure-property mechanisms underlying this effect is an active area of research. However, despite extensive work, a fundamental framework for predicting the local and system-averaged thermomechanical properties as a function of configuration and polymer species has yet to be established. Towards bridging this gap, here, we present a novel, systematic coarse-graining (CG) method which is able to capture quantitatively, the thermomechanical properties of real polymer systems in bulk and in nanoconfined geometries. This method, which we call thermomechanically consistent coarse-graining (TCCG), is a two-bead-per-monomer CG hybrid approach through which bonded interactions are optimized to match the atomistic structure via the Iterative Boltzmann Inversion method (IBI), and nonbonded interactions are tuned to macroscopic targets through parametric studies. We validate the TCCG method by systematically developing coarse-grain models for a group of five specialized methacrylate-based polymers including poly(methyl methacrylate) (PMMA). Good correlation with bulk all-atom (AA) simulations and experiments is found for the temperature-dependent glass transition temperature (Tg) Flory-Fox scaling relationships, self-diffusion coefficients of liquid monomers, and modulus of elasticity. We apply this TCCG method also to bulk polystyrene (PS) using a comparable coarse-grain CG bead mapping strategy. The model demonstrates chain stiffness commensurate with experiments, and we utilize a density-correction term to improve the transferability of the elastic modulus over a 500 K range. Additionally, PS and PMMA models capture the unexplained, characteristically dissimilar scaling of Tg with the thickness of free-standing films as seen in experiments. Using vibrational

  4. Revised Soil Classification System for Coarse-Fine Mixtures

    KAUST Repository

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Class, A.G.; Himmel, S.R.; Viellieber, M.O. [Karlsruhe Institute of Technology (KIT), Karlsruhe (DE). Inst. for Nuclear and Energy Technologies (IKET)

    2011-07-01

    In the 1960{sup th} to 80{sup 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.)

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

    International Nuclear Information System (INIS)

    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.

  7. Coarse-Grained Simulations of 3D Printing

    Science.gov (United States)

    Wang, Zilu; Dobrynin, Andrey

    3D printing is a revolutionary manufacturing technique which makes it possible to fabricate a 3D object of any shape and size that is hard to make by traditional methods. We use coarse-grained molecular dynamics simulations to model the Continuous Liquid Interface Production (CLIP) 3D printing techniques. This technique utilizes a continuous curing of the liquid precursor by the UV light within a thin layer during pulling the crosslinked polymeric object out of a liquid pool. Our simulations show that the quality of the shape of the 3D printed objects is determined by a fine interplay between elastic and capillary forces. With decreasing the size of the printed features, the object shape deformations are controlled by optimization of the surface area of the exposed interface. This results in large deviations of the printed shape from the programed one. The high quality of the printed features is obtained when its size is larger than the elastocapillary length - ratio of the surface tension and modulus of crosslinked polymeric material. The condition when size of the feature becomes comparable with the elastocapillary length could be considered as a resolution limit for this 3D printing technique. Using our simulation results we have identified the source of the object shape deformations and developped a set of rules for calibration of the parameters to meet the accuracy requirements. To improve printing quality we have redesigned the CLIP 3D technique. Our simulations show that the proposed modifications of the printing process could improve printing quality. DMR-1624569.

  8. Coarse fragmental material of the littoral zones on the Murmansk and Carelian coasts

    Science.gov (United States)

    Mityaev, M. V.; Gerasimova, M. V.

    2010-04-01

    A three-year study of the abrasion of coarse fragmental material on the Murmansk coast has been carried out. According to the researchers, the average rate of the abrasion of the coarse-fragmental material of granitoid composition on the Murmansk coast has been determined. It was revealed that the rate of the destruction of the blocks increases from the lower littoral zone to the upper one. The estimation of the quantity of sedimentary material coming to the sedimentation basin as a result of the abrasion of coarse-fragmental material has been carried out.

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

    International Nuclear Information System (INIS)

    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

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

    Science.gov (United States)

    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

  11. Microscopic derivation of particle-based coarse-grained dynamics

    Science.gov (United States)

    Izvekov, Sergei

    2013-04-01

    In this paper we revisit the derivation of equations of motion for coarse-grained (CG) particles from the microscopic Hamiltonian dynamics of the underlying atomistic system in equilibrium. The derivation is based on the projection operator method and time-convolution equation. We demonstrate that due to the energy exchange between CG and intraparticle phase space coordinates in the microscopic system, the choice of projection operator is not unique, leading to different CG equations of motion that have the form of the nonlinear generalized Langevin equation (GLE). We derive the idempotence properties for the projection operators along the system trajectories and show that these properties result in streaming terms of the respective GLEs that are conservative forces and allow the expression of the non-conservative forces explicitly through thermodynamic averages, which can be measured from the microscopic simulations. The difference between GLEs that are presented herein lies in how the non-conservative forces are partitioned into dissipative and projected contributions. We compute the projected force and analyze conditions under which the projected (stochastic) force is orthogonal to (uncorrelated with) the momenta of CG particles, therefore justifying a transition to a framework of stochastic differential equations. We show that a position- and momentum-independent memory function appears only if the projected force is fully decoupled from the past CG positions and momenta, respectively. In the case of non-vanishing correlations between the projected force and the CG coordinates in past times, we derive explicitly the position- and momentum-dependent memory function in a form of projection onto a space spanned by N-order Hermite polynomials. The expressions presented herein can be used to construct a hierarchy of thermodynamically consistent CG models with momentum-dependent memory functions. They can also be used to design computational schemes for obtaining the

  12. Coarse-grained modeling of hybrid block copolymer system

    Science.gov (United States)

    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. LBA-ECO CD-08 Coarse Wood Litter Respiration and Decomposition, Manaus, Brazil

    Data.gov (United States)

    National Aeronautics and Space Administration — This data sets contains data on coarse wood density, moisture content, respiration rates and decomposition rate constants in csv format from Manaus Brazil measured...

  14. LBA-ECO CD-08 Coarse Wood Litter Respiration and Decomposition, Manaus, Brazil

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: This data sets contains data on coarse wood density, moisture content, respiration rates and decomposition rate constants in csv format from Manaus Brazil...

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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.

  18. MT-ADRES: multi-threading on coarse-grained reconfigurable architecture

    DEFF Research Database (Denmark)

    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...

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

    DEFF Research Database (Denmark)

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

    2010-01-01

    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...... in simulating more complex systems by performing a non-periodic Molecular Dynamics simulation of a DPPC lipid in liquid coarse grained water....

  20. Determination of the local heterogeneous power distribution in nodal coarse-mesh methods

    International Nuclear Information System (INIS)

    Koebke, K.

    1978-01-01

    In the last few years, methods have been developed which enable the power of single fuel rods and the activation rates at the location of the spherical measuring positions to be determined with high accuracy on the basis of the converged nodal coarse-mesh solution. The new programme PINPOW has been established as an evaluation programme for the 2- and 3-dimensional coarse-mesh programmes MEDIUM-2, BOXER, IQSBOX, (orig./RW) [de

  1. Mechanical and durability properties of fly ash geopolymer concrete containing recycled coarse aggregates

    OpenAIRE

    Shaikh, Faiz Uddin Ahmed

    2016-01-01

    This paper presents mechanical and durability properties of geopolymer concrete containing recycled coarse aggregate (RCA). The RCA is sourced from local construction and demolition (C&D) waste in Perth, Australia. The RCA is used as a partial replacement of natural coarse aggregate (NCA) in geopolymer concrete at 15%, 30% and 50% by wt. which corresponds to series two, three and four, respectively, while the geopolymer concrete containing 100% NCA is control and is considered as the first se...

  2. Coarse implicit time integration of a cellular scale particle model for plant tissue deformation

    OpenAIRE

    Ghysels, Pieter; Samaey, Giovanni; Van Liedekerke, Paul; Tijskens, Engelbert; Ramon, Herman; Roose, Dirk

    2010-01-01

    We describe a multiscale method to simulate the deformation of plant tissue. At the cellular scale we use a combination of Smoothed Particle Hydrodynamics (SPH) and discrete elements to model the geometrical structure and basic properties of individual plant cells. At the coarse level, the material is described by the standard continuum approach without explicitly constructing a constitutive equation. Instead, the coarse scale finite element model uses simulations with the fine (cellular) sca...

  3. Mechanical response of two polyimides through coarse-grained molecular dynamics simulations

    Science.gov (United States)

    Sudarkodi, V.; Sooraj, K.; Nair, Nisanth N.; Basu, Sumit; Parandekar, Priya V.; Sinha, Nishant K.; Prakash, Om; Tsotsis, Tom

    2018-03-01

    Coarse-grained molecular dynamics (MD) simulations allow us to predict the mechanical responses of polymers, starting merely with a description of their molecular architectures. It is interesting to ask whether, given two competing molecular architectures, coarse-grained MD simulations can predict the differences that can be expected in their mechanical responses. We have studied two crosslinked polyimides PMR15 and HFPE52—both used in high- temperature applications—to assess whether the subtle differences in their uniaxial stress–strain responses, revealed by experiments, can be reproduced by carefully coarse-grained MD models. The coarse graining procedure for PMR15 is outlined in this work, while the coarse grain forcefields for HFPE52 are borrowed from an earlier one (Pandiyan et al 2015 Macromol. Theory Simul. 24 513–20). We show that the stress–strain responses of both these polyimides are qualitatively reproduced, and important insights into their deformation and failure mechanisms are obtained. More importantly, the differences in the molecular architecture between the polyimides carry over to the differences in the stress–strain responses in a manner that parallels the experimental results. A critical assessment of the successes and shortcomings of predicting mechanical responses through coarse-grained MD simulations has been made.

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

    Directory of Open Access Journals (Sweden)

    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.

  5. Coarse-grained model of nanoscale segregation, water diffusion, and proton transport in Nafion membranes

    Science.gov (United States)

    Vishnyakov, Aleksey; Mao, Runfang; Lee, Ming-Tsung; Neimark, Alexander V.

    2018-01-01

    We present a coarse-grained model of the acid form of Nafion membrane that explicitly includes proton transport. This model is based on a soft-core bead representation of the polymer implemented into the dissipative particle dynamics (DPD) simulation framework. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with water beads. Morse bond formation and breakup artificially mimics the Grotthuss hopping mechanism of proton transport. The proposed DPD model is parameterized to account for the specifics of the conformations and flexibility of the Nafion backbone and sidechains; it treats electrostatic interactions in the smeared charge approximation. The simulation results qualitatively, and in many respects quantitatively, predict the specifics of nanoscale segregation in the hydrated Nafion membrane into hydrophobic and hydrophilic subphases, water diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from a collection of isolated water clusters to a 3D network of pores filled with water embedded in the hydrophobic matrix. The segregated morphology is characterized in terms of the pore size distribution with the average size growing with hydration from ˜1 to ˜4 nm. Comparison of the predicted water diffusivity with the experimental data taken from different sources shows good agreement at high and moderate hydration and substantial deviation at low hydration, around and below the percolation threshold. This discrepancy is attributed to the dynamic percolation effects of formation and rupture of merging bridges between the water clusters, which become progressively important at low hydration, when the coarse-grained model is unable to mimic the fine structure of water network that includes singe molecule bridges. Selected simulations of water diffusion are performed for the alkali metal substituted membrane which demonstrate the effects of the counter-ions on

  6. Sustainable normal and high strength recycled aggregate concretes using crushed tested cylinders as coarse aggregates

    Directory of Open Access Journals (Sweden)

    Bilal S. Hamad

    2017-12-01

    Full Text Available The paper reports on a research program that was designed at the American University of Beirut (AUB to investigate the fresh and hardened mechanical properties of a high performance concrete mix produced with partial or full substitution of crushed natural lime-stone aggregates with recycled aggregates from crushed tested cylinders in batching plants. Choosing crushed cylinders as source of recycling would result in reusing portion of the waste products of the concrete production industry. An extensive concrete batching and testing program was conducted to achieve two optimum normal and high strength concrete mixes. The variables were the nominal concrete strength (28 or 60 MPa and the percentage replacement of natural coarse aggregates with recycled aggregates from crushed tested cylinders (0, 20, 40, 60, 80, or 100%. Normal strength tested cylinders were used as source of the recycled aggregates for the normal strength concrete (NSC mix and high strength tested cylinders were used for the high strength concrete (HSC mix. Tests on the trial batches included plastic state slump and hardened state mechanical properties including cylinder compressive strength, cylinder splitting tensile strength, modulus of elasticity, and standard beams flexural strength. The results indicated no significant effect on the slump and around 10% average reduction in the hardened mechanical properties for both investigated levels of concrete compressive strength.

  7. Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

    International Nuclear Information System (INIS)

    Snodin, Benedict E. K.; Mosayebi, Majid; Schreck, John S.; Romano, Flavio; Doye, Jonathan P. K.; Randisi, Ferdinando; Šulc, Petr; Ouldridge, Thomas E.; Tsukanov, Roman; Nir, Eyal; Louis, Ard A.

    2015-01-01

    We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures, such as DNA origami, which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na + ] = 0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA

  8. SmartCell: An Energy Efficient Coarse-Grained Reconfigurable Architecture for Stream-Based Applications

    Directory of Open Access Journals (Sweden)

    Liang Cao

    2009-01-01

    Full Text Available This paper presents SmartCell, a novel coarse-grained reconfigurable architecture, which tiles a large number of processor elements with reconfigurable interconnection fabrics on a single chip. SmartCell is able to provide high performance and energy efficient processing for stream-based applications. It can be configured to operate in various modes, such as SIMD, MIMD, and systolic array. This paper describes the SmartCell architecture design, including processing element, reconfigurable interconnection fabrics, instruction and control process, and configuration scheme. The SmartCell prototype with 64 PEs is implemented using 0.13  m CMOS standard cell technology. The core area is about 8.5  , and the power consumption is about 1.6 mW/MHz. The performance is evaluated through a set of benchmark applications, and then compared with FPGA, ASIC, and two well-known reconfigurable architectures including RaPiD and Montium. The results show that the SmartCell can bridge the performance and flexibility gap between ASIC and FPGA. It is also about 8% and 69% more energy efficient than Montium and RaPiD systems for evaluated benchmarks. Meanwhile, SmartCell can achieve 4 and 2 times more throughput gains when comparing with Montium and RaPiD, respectively. It is concluded that SmartCell system is a promising reconfigurable and energy efficient architecture for stream processing.

  9. SmartCell: An Energy Efficient Coarse-Grained Reconfigurable Architecture for Stream-Based Applications

    Directory of Open Access Journals (Sweden)

    Cao Liang

    2009-01-01

    Full Text Available This paper presents SmartCell, a novel coarse-grained reconfigurable architecture, which tiles a large number of processor elements with reconfigurable interconnection fabrics on a single chip. SmartCell is able to provide high performance and energy efficient processing for stream-based applications. It can be configured to operate in various modes, such as SIMD, MIMD, and systolic array. This paper describes the SmartCell architecture design, including processing element, reconfigurable interconnection fabrics, instruction and control process, and configuration scheme. The SmartCell prototype with 64 PEs is implemented using 0.13 μm CMOS standard cell technology. The core area is about 8.5 mm2, and the power consumption is about 1.6 mW/MHz. The performance is evaluated through a set of benchmark applications, and then compared with FPGA, ASIC, and two well-known reconfigurable architectures including RaPiD and Montium. The results show that the SmartCell can bridge the performance and flexibility gap between ASIC and FPGA. It is also about 8% and 69% more energy efficient than Montium and RaPiD systems for evaluated benchmarks. Meanwhile, SmartCell can achieve 4 and 2 times more throughput gains when comparing with Montium and RaPiD, respectively. It is concluded that SmartCell system is a promising reconfigurable and energy efficient architecture for stream processing.

  10. Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

    Energy Technology Data Exchange (ETDEWEB)

    Snodin, Benedict E. K., E-mail: benedict.snodin@chem.ox.ac.uk; Mosayebi, Majid; Schreck, John S.; Romano, Flavio; Doye, Jonathan P. K., E-mail: jonathan.doye@chem.ox.ac.uk [Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom); Randisi, Ferdinando [Life Sciences Interface Doctoral Training Center, South Parks Road, Oxford OX1 3QU (United Kingdom); Rudolf Peierls Centre for Theoretical Physics, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Šulc, Petr [Center for Studies in Physics and Biology, The Rockefeller University, 1230 York Avenue, New York, New York 10065 (United States); Ouldridge, Thomas E. [Department of Mathematics, Imperial College, 180 Queen’s Gate, London SW7 2AZ (United Kingdom); Tsukanov, Roman; Nir, Eyal [Department of Chemistry and the Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer Sheva (Israel); Louis, Ard A. [Rudolf Peierls Centre for Theoretical Physics, 1 Keble Road, Oxford OX1 3NP (United Kingdom)

    2015-06-21

    We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures, such as DNA origami, which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na{sup +}] = 0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA.

  11. Discovery of a landscape-wide drape of late-glacial aeolian silt in the western Northern Calcareous Alps (Austria): First results and implications

    Science.gov (United States)

    Gild, Charlotte; Geitner, Clemens; Sanders, Diethard

    2018-01-01

    Aeolian deposits record palaeoenvironmental conditions and may coin soil properties. Whereas periglacial loess is extensively investigated for 200 years, the study of the intramontane wind-blown deposits of the Alps has just stuttered along. Herein, we describe a drape of polymictic siliciclastic silt interpreted as an aeolian deposit that veneers extensive areas in the western Northern Calcareous Alps (NCA), from kames terraces near valley floors up to last-glacial nunataks. The NCA - part of the Eastern Alps mountain range - consist mainly of Triassic carbonate rocks; these are overlain by deposits of the Last Glacial Maximum (LGM) and its deglacial-paraglacial aftermath (e.g., glacial tills, fluvio-lacustrine successions, alluvial fans, scree slopes) - and a regional drape of polymictic silt newly described herein. The drape is typically a few decimeters in thickness and slightly modified by soil formation; it consists mainly of well-sorted silt of quartz, feldspars, phyllosilicates (muscovite, chlorite, biotite), amphiboles and, rarely, calcite or dolomite. The drape is unrelated to the substrate: it overlies carbonate bedrock and - in lateral continuity - abandoned deposystems such as colluvial slopes of redeposited till, kames, alluvial fans, scree slopes, and rock avalanche deposits. The drape was spotted from near the present valley floors up to LGM nunataks, over a vertical range of some 2000 m; it is also present in catchments of the NCA that were not overridden by far-travelled ice streams and that lack metamorphic rock fragments. Two OSL quartz ages of the drape from two distinct locations (18.77 ± 1.55 ka; 17.81 ± 1.68 ka) fall into the early Alpine late-glacial interval shortly after the collapse of pleniglacial ice streams; this fits with geological and geomorphological evidence, respectively, that the drape should be of early late-glacial age, and that it accumulated during a specific interval of time. In the NCA, localized minor deposition of

  12. Amount of deposited by river silt Cs-137 brought to the river Arbuzynka with sewerage water from South Ukrainian Atomic Power Plant

    International Nuclear Information System (INIS)

    Vyintsukevich, N.V.; Tomyilyin, Yu.A.; Grigor'jeva, L.Yi.

    1996-01-01

    The peculiarities of radionuclide depositing in the silt of the river Arbuzynka in the place of discharge of sewerage water from South Ukrainian Atomic Power Plant have been studied. According to the finding of the observation, the main contribution to the total radioactivity of the sewerage water for the entire period of the plant operation was made by Cs-137. The greatest contamination of the river was observed in 1988 and 1993. It has been established that for the whole period of the plant operation two processes developed dynamically in the Arbuzynka, e.i. Cs-137 accumulation by the bottom deposits and its reserve receipt by the water. The process of accumulation was more dynamic

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

    Science.gov (United States)

    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; PM<7 μm in diameter) from one general monitoring station. We calculated PM7-2.5 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.

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

    Science.gov (United States)

    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; PM<7μm in diameter) from one general monitoring station. As a measure of coarse particles, we calculated PM7-2.5 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.

  15. Coarse needle surface potentiates analgesic effect elicited by acupuncture with twirling manipulation in rats with nociceptive pain.

    Science.gov (United States)

    Kwon, Sunoh; Lee, Yangseok; Park, Hi-Joon; Hahm, Dae-Hyun

    2017-01-03

    Biomechanical phenomenon called "needle grasp" through the winding of connective tissue has been proposed as an action mechanism of acupuncture manipulation. The aim of the present study is to verify whether the needle grasp force affects the pain-relieving activity of acupuncture in the tail-flick latency (TFL) and the rat paw formalin tests. In order to make different roughness on the acupuncture needle surface, the needles with 0.2 mm-diameter were scratched using silicon carbide sandpapers with the grit numbers of 600 (mild coarse) and 200 (extra coarse). The surface roughness and rotation-induced torque of the scratched needles were then measured by atomic force microscope and Acusensor®, respectively. Rat abdominal wall tissues including insertion site of acupuncture needle were excised after 5 unidirectional rotations of the needles having various degrees of roughness, and the morphological changes of connective tissues were analyzed using hematoxylin and eosin (H-E) staining. Finally, the effects of coarse needle surface on anti-nociception induced by twirling manipulation were tested in rat TFL and formalin test. It was observed that the rougher the needle surface, the stronger the needle grasp force and thickness of subcutaneous connective tissue while rotating. TFL increased in proportion to surface roughness of the ground needles 10 min after acupuncture into the Zusanli acupoint (ST36) on rat's legs. In the rat formalin test, the rougher needle also significantly exerted the larger analgesic effect during both early and late phases compared to non-ground normal needle. Surface roughness of the acupuncture needle enhanced an anti-nociceptive activity of acupuncture therapy in rats, which partially supports the mechanical signaling theory through connective tissues in acupuncture manipulation.

  16. Pump apparatus including deconsolidator

    Energy Technology Data Exchange (ETDEWEB)

    Sonwane, Chandrashekhar; Saunders, Timothy; Fitzsimmons, Mark Andrew

    2014-10-07

    A pump apparatus includes a particulate pump that defines a passage that extends from an inlet to an outlet. A duct is in flow communication with the outlet. The duct includes a deconsolidator configured to fragment particle agglomerates received from the passage.

  17. Optical modulator including grapene

    Science.gov (United States)

    Liu, Ming; Yin, Xiaobo; Zhang, Xiang

    2016-06-07

    The present invention provides for a one or more layer graphene optical modulator. In a first exemplary embodiment the optical modulator includes an optical waveguide, a nanoscale oxide spacer adjacent to a working region of the waveguide, and a monolayer graphene sheet adjacent to the spacer. In a second exemplary embodiment, the optical modulator includes at least one pair of active media, where the pair includes an oxide spacer, a first monolayer graphene sheet adjacent to a first side of the spacer, and a second monolayer graphene sheet adjacent to a second side of the spacer, and at least one optical waveguide adjacent to the pair.

  18. A new algorithm for construction of coarse-grained sites of large biomolecules.

    Science.gov (United States)

    Li, Min; Zhang, John Z H; Xia, Fei

    2016-04-05

    The development of coarse-grained (CG) models for large biomolecules remains a challenge in multiscale simulations, including a rigorous definition of CG representations for them. In this work, we proposed a new stepwise optimization imposed with the boundary-constraint (SOBC) algorithm to construct the CG sites of large biomolecules, based on the s cheme of essential dynamics CG. By means of SOBC, we can rigorously derive the CG representations of biomolecules with less computational cost. The SOBC is particularly efficient for the CG definition of large systems with thousands of residues. The resulted CG sites can be parameterized as a CG model using the normal mode analysis based fluctuation matching method. Through normal mode analysis, the obtained modes of CG model can accurately reflect the functionally related slow motions of biomolecules. The SOBC algorithm can be used for the construction of CG sites of large biomolecules such as F-actin and for the study of mechanical properties of biomaterials. © 2015 Wiley Periodicals, Inc.

  19. Influence of coarse woody debris on the soricid community in southeastern Coastal Plain pine stands.

    Energy Technology Data Exchange (ETDEWEB)

    Davis, Justin, C.; Castleberry, Steven, B.; Kilgo, John, C.

    2010-07-01

    Shrew abundance has been linked to the presence of coarse woody debris (CWD), especially downed logs, in many regions in the United States. We investigated the importance of CWD to shrew communities in managed upland pine stands in the southeastern United States Coastal Plain. Using a randomized complete block design, 1 of the following treatments was assigned to twelve 9.3-ha plots: removal (n 5 3; all downed CWD _10 cm in diameter and _60 cm long removed), downed (n 5 3; 5-fold increase in volume of downed CWD), snag (n 5 3; 10-fold increase in volume of standing dead CWD), and control (n 5 3; unmanipulated). Shrews (Blarina carolinensis, Sorex longirostris, and Cryptotis parva) were captured over 7 seasons from January 2007 to August 2008 using drift-fence pitfall trapping arrays within treatment plots. Topographic variables were measured and included as treatment covariates. More captures of B. carolinensis were made in the downed treatment compared to removal, and captures of S. longirostris were greater in downed and snag compared to removal. Captures of C. parva did not differ among treatments. Captures of S. longirostris were positively correlated with slope. Our results suggest that abundance of 2 of the 3 common shrew species of the southeastern Coastal Plain examined in our study is influenced by the presence of CWD.

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

    International Nuclear Information System (INIS)

    Understanding of the emissions of coarse (PM 10 ≤10 μm), fine (PM 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.

  1. Modification of Hazen's equation in coarse grained soils by soft computing techniques

    Science.gov (United States)

    Kaynar, Oguz; Yilmaz, Isik; Marschalko, Marian; Bednarik, Martin; Fojtova, Lucie

    2013-04-01

    Hazen first proposed a Relationship between coefficient of permeability (k) and effective grain size (d10) was first proposed by Hazen, and it was then extended by some other researchers. However many attempts were done for estimation of k, correlation coefficients (R2) of the models were generally lower than ~0.80 and whole grain size distribution curves were not included in the assessments. Soft computing techniques such as; artificial neural networks, fuzzy inference systems, genetic algorithms, etc. and their hybrids are now being successfully used as an alternative tool. In this study, use of some soft computing techniques such as Artificial Neural Networks (ANNs) (MLP, RBF, etc.) and Adaptive Neuro-Fuzzy Inference System (ANFIS) for prediction of permeability of coarse grained soils was described, and Hazen's equation was then modificated. It was found that the soft computing models exhibited high performance in prediction of permeability coefficient. However four different kinds of ANN algorithms showed similar prediction performance, results of MLP was found to be relatively more accurate than RBF models. The most reliable prediction was obtained from ANFIS model.

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

    Directory of Open Access Journals (Sweden)

    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.

  3. Green Concrete from Sustainable Recycled Coarse Aggregates: Mechanical and Durability Properties

    Directory of Open Access Journals (Sweden)

    Neeraj Jain

    2015-01-01

    Full Text Available Present investigations deal with the development of green concrete (M 30 grade using recycled coarse aggregates for sustainable development. Characterization of recycled coarse aggregates showed that physical and mechanical properties are of inferior quality and improvement in properties was observed after washing due to removal of old weak mortar adhered on its surface. The influence of natural coarse aggregates replacement (50 and 100% with recycled coarse aggregate on various mechanical and durability properties of hardened concrete were discussed and compared with controls at different w/c ratio. Improvements in all the engineering properties of hardened concrete were observed using washed recycled coarse aggregates. The compressive strength of 28-day hardened concrete containing 100% washed recycled aggregate was slightly lower (7% than concrete prepared with natural aggregates. Water absorption, carbonation, and rapid chloride penetration test were conducted to assess the durability of the concrete. Concrete was found moderately permeable for chloride ions penetration and no carbonation was observed in all the concrete mixes studied.

  4. Boltzmann rovibrational collisional coarse-grained model for internal energy excitation and dissociation in hypersonic flows.

    Science.gov (United States)

    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.

  5. Coarse dark patterning functionally constrains adaptive shifts from aposematism to crypsis in strawberry poison frogs.

    Science.gov (United States)

    Qvarnström, Anna; Rudh, Andreas; Edström, Torkel; Ödeen, Anders; Løvlie, Hanne; Tullberg, Birgitta S

    2014-10-01

    Ecological specialization often requires tight coevolution of several traits, which may constrain future evolutionary pathways and make species more prone to extinction. Aposematism and crypsis represent two specialized adaptations to avoid predation. We tested whether the combined effects of color and pattern on prey conspicuousness functionally constrain or facilitate shifts between these two adaptations. We combined data from 17 natural populations of strawberry poison frogs, Oophaga pumilio with an experimental approach using digitalized images of frogs and chickens as predators. We show that bright coloration often co-occurs with coarse patterning among the natural populations. Dull green frogs with coarse patterning are rare in nature but in the experiment they were as easily detected as bright red frogs suggesting that this trait combination represents a transient evolutionary state toward aposematism. Hence, a gain of either bright color or coarse patterning leads to conspicuousness, but a transition back to crypsis would be functionally constrained in populations with both bright color and coarse patterning by requiring simultaneous changes in two traits. Thus, populations (or species) signaling aposematism by conspicuous color should be less likely to face an evolutionary dead end and more likely to radiate than populations with both conspicuous color and coarse patterning. © 2014 The Author(s). Evolution © 2014 The Society for the Study of Evolution.

  6. Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies

    Energy Technology Data Exchange (ETDEWEB)

    Salerno, K. Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Agrawal, Anupriya [Washington Univ., St. Louis, MO (United States). Dept. of Mechanical Engineering and Materials Science; Clemson Univ., SC (United States). Dept. of Chemistry; Perahia, Dvora [Clemson Univ., SC (United States). Dept. of Chemistry; Grest, Gary S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-02-05

    Coupled length and time scales determine the dynamic behavior of polymers and underlie their unique viscoelastic properties. To resolve the long-time dynamics it is imperative to determine which time and length scales must be correctly modeled. In this paper, we probe the degree of coarse graining required to simultaneously retain significant atomistic details and 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 linear polyethylene as a model system, we probe how the coarse-graining scale affects the measured dynamics. Iterative Boltzmann inversion is used to derive coarse-grained potentials with 2–6 methylene groups per coarse-grained bead from a fully atomistic melt simulation. We show that atomistic detail is critical to capturing large-scale dynamics. Finally, using these models we simulate polyethylene melts for times over 500 μs to study the viscoelastic properties of well-entangled polymer melts.

  7. Coarse neural tuning for print peaks when children learn to read.

    Science.gov (United States)

    Maurer, Urs; Brem, Silvia; Kranz, Felicitas; Bucher, Kerstin; Benz, Rosmarie; Halder, Pascal; Steinhausen, Hans-Christoph; Brandeis, Daniel

    2006-11-01

    Adult readers exhibit increased fast N1 activity to wordlike strings in their event-related brain potential. This increase has been linked to visual expertise for print, implying a protracted monotonic development. We investigated the development of coarse neural tuning for print by studying children longitudinally before and after learning to read, and comparing them to skilled adults. The coarse N1 tuning, which had been absent in nonreading kindergarten children, emerged in less than 2 years after the same children had mastered basic reading skills in 2nd grade. The N1 became larger for words than symbol strings in every child, and this coarse tuning was stronger for faster readers. Fast brain processes thus specialize rapidly for print when children learn to read, and play an important functional role in the fluency of early reading. Comparing 2nd graders with adults revealed a further decrease of the coarse N1 tuning in adults, presumably reflecting further reading practice. This constitutes a prominent nonlinear development of coarse neurophysiological specialization for print. The maximum tuning in novice readers possibly reflects the high sensitivity of their neural network for visual aspects of print, and a more selective tuning in expert adult readers.

  8. Dynamics in coarse-grained models for oligomer-grafted silica nanoparticles

    KAUST Repository

    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.

  9. Coarse-grained variables for particle-based models: diffusion maps and animal swarming simulations

    Science.gov (United States)

    Liu, Ping; Safford, Hannah R.; Couzin, Iain D.; Kevrekidis, Ioannis G.

    2014-12-01

    As microscopic (e.g. atomistic, stochastic, agent-based, particle-based) simulations become increasingly prevalent in the modeling of complex systems, so does the need to systematically coarse-grain the information they provide. Before even starting to formulate relevant coarse-grained equations, we need to determine the right macroscopic observables—the right variables in terms of which emergent behavior will be described. This paper illustrates the use of data mining (and, in particular, diffusion maps, a nonlinear manifold learning technique) in coarse-graining the dynamics of a particle-based model of animal swarming. Our computational data-driven coarse-graining approach extracts two coarse (collective) variables from the detailed particle-based simulations, and helps formulate a low-dimensional stochastic differential equation in terms of these two collective variables; this allows the efficient quantification of the interplay of "informed" and "naive" individuals in the collective swarm dynamics. We also present a brief exploration of swarm breakup and use data-mining in an attempt to identify useful predictors for it. In our discussion of the scope and limitations of the approach we focus on the key step of selecting an informative metric, allowing us to usefully compare different particle swarm configurations.

  10. Major soil classes of the metropolitan region of Curitiba (PR, Brazil: I - mineralogical characterization of the sand, silt and clay fractions

    Directory of Open Access Journals (Sweden)

    Ana Christina Duarte Pires

    2007-03-01

    Full Text Available The aim of this work was to evaluate the mineralogical and chemical characteristics of most representative soils of the Region of Curitiba, Paraná State. Samples were collected at different depths. The results showed: (a the quartz was the only identified mineral at the silt and sand fractions. The dominant clay mineral was Kaolinite, with contents ranging from 676.7 to 820.8 g kg-1. The gibbsite was also an important constituent of the most weathered horizons and the hematite and goethite contents were low, mainly in the Histosol; (b at the C horizon of the Inceptisol, high intensity of vermiculite/smectite reflections were detected (X-ray diffraction, justifying the high capacity of expansion and contraction, normally showed for this soil horizon; (c was observed a good relation between pedogenetic degree and crystallographic mineral characteristics.Devido a grande importância dos minerais, notadamente aqueles da fração argila, sobre o planejamento de uso e sobre os impactos das atividades antrópicas, estudos detalhados da composição dos solos das regiões metropolitanas são imprescindíveis. Para avaliar as características mineralógicas e químicas de solos mais representativos da Região Metropolitana de Curitiba, estado do Paraná, foram coletadas amostras das classes Organossolo, Latossolo e Cambissolo, em diferentes profundidades. As frações areia, silte e argila foram estudadas por difratometria de Raios-X (DRX e a fração mais fina foi submetida a análise térmica e extrações químicas com oxalato de amônio (OA, ditionito-citrato-bicarbonato (DCB e solução de NaOH 5 mol L-1 fervente. As características cristalográficas da hematita (Hm, goethita (Gt, gibbsita (Gb e caulinita (Ct foram determinadas por DRX. Os resultados permitiram concluir que: (a o quartzo foi o único mineral identificado nas frações areia e silte. Na fração argila, verificou-se o predomínio de Ct, com teores variando de 661,7 a 820,8 g kg-1

  11. Moisture and temperature in a proppant-enveloped silt block of a recharge dam reservoir: Laboratory experiment and 1-D mathematical modelling

    Directory of Open Access Journals (Sweden)

    Anvar Kacimov

    2018-01-01

    Full Text Available Mosaic 3-D cascade of parallelepiped-shaped silt blocks, which sandwich sand- lled cracks, has been discovered in the eld and tested in lab experiments. Controlled wetting-drying of these blocks, collected from a dam reservoir, mimics field ponding-desiccation conditions of the topsoil layer subject to caustic solar radiation, high temperature and wind, typical in the Batinah region of Oman. In 1-D analytical modelling of a transient Richards’ equation for vertical evaporation, the method of small perturbations is applied, assuming that the relative permeability is Avery-anov’s 3.5-power function of the moisture content and capillary pressure is a given (measured function. A linearized advective dispersion equation is solved with respect to the second term in the series expansion of the moisture content as a function of spatial coordinates and time. For a single block of a nite thickness we solve a boundary value problem with a no- ow condition at the bottom and a constant moisture content at the surface. Preliminary comparisons with theta-, TDR- probes measuring the moisture content and temperature at several in-block points are made. Results corroborate that a 3-D heterogeneity of soil physical properties, in particular, horizontal and vertical capillary barriers emerging on the interfaces between silt and sand generate eco-niches with stored soil water compartments favourable for lush vegetation in desert conditions. Desiccation significantly increases the temperature in the blocks and re-wetting of the blocks reduces the daily average and peak temperatures, the latter by almost 15°C. This is important for planning irrigation in smartly designed soil substrates and sustainability of wild plants in the region where the top soil peak temperature in the study area exceeds 70°C in Summer but smartly structured soils maintain lash vegetation. Thee layer of dry top-blocks acts as a thermal insulator for the subjacent layers of wet blocks that

  12. Coarse Grained Molecular Dynamics Simulations of Transmembrane Protein-Lipid Systems

    Directory of Open Access Journals (Sweden)

    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.

  13. Statistical mechanics of coarse graining: estimating dynamical speedups from excess entropies.

    Science.gov (United States)

    Armstrong, J A; Chakravarty, C; Ballone, P

    2012-03-28

    The excess entropy of fluids has been shown to play a decisive role in the determination of dynamical properties [Y. Rosenfeld, Phys. Rev. A 15, 2545 (1977)]. We argue that it could play an equally important role in connecting dynamical properties of atomistic and coarse-grained models of molecular fluid systems. Molecular dynamics simulations for an atomistic and a coarse-grained model of water confirm the validity of this conjecture, showing that the sizable enhancement of the diffusion rate upon coarse-graining is a simple function of the difference in the excess entropy of the two models. This empirical observation could ease the way to a first-principles prediction of the relation of dynamical properties estimated from models at different resolution.

  14. Design and performance evaluation of a coarse/fine precision motion control system

    Energy Technology Data Exchange (ETDEWEB)

    Yang, H; Buice, E S; Smith, S T; Hocken, R J; Fagan, T J; Trumper, D L; Otten, D; Seugling, R M

    2005-03-02

    This abstract presents current collaborative work on the development of a stage system for accurate nanometer level positioning for scanning specimens spanning an area of 50 mm x 50 mm. The completed system employs a coarse/fine approach which comprises a short-range, six degree-of-freedom fine-motion platform (5 microns 200 micro-radians) carried by a long-range, two-axis X-Y coarse positioning system. Relative motion of the stage to a fixed metrology frame will be measured using a heterodyne laser in an eight-pass interferometer configuration. The final stage system will be housed in a vacuum environment and operated in a temperature-controlled laboratory. Results from a simple single coarse/fine axis system will be the design basis for the final multi-axis system. It is expected that initial stage performance evaluation will be presented at the conference.

  15. Separation and collection of coarse aggregate from waste concrete by electric pulsed power

    Science.gov (United States)

    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.

  16. Formulation of coarse mesh finite difference to calculate mathematical adjoint flux

    International Nuclear Information System (INIS)

    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)

  17. Resolution-Adapted All-Atomic and Coarse-Grained Model for Biomolecular Simulations.

    Science.gov (United States)

    Shen, Lin; Hu, Hao

    2014-06-10

    We develop here an adaptive multiresolution method for the simulation of complex heterogeneous systems such as the protein molecules. The target molecular system is described with the atomistic structure while maintaining concurrently a mapping to the coarse-grained models. The theoretical model, or force field, used to describe the interactions between two sites is automatically adjusted in the simulation processes according to the interaction distance/strength. Therefore, all-atomic, coarse-grained, or mixed all-atomic and coarse-grained models would be used together to describe the interactions between a group of atoms and its surroundings. Because the choice of theory is made on the force field level while the sampling is always carried out in the atomic space, the new adaptive method preserves naturally the atomic structure and thermodynamic properties of the entire system throughout the simulation processes. The new method will be very useful in many biomolecular simulations where atomistic details are critically needed.

  18. Improved calibration of IMU biases in analytic coarse alignment for AHRS

    Science.gov (United States)

    Lu, Jiazhen; Lei, Chaohua; Li, Baoguo; Wen, Ting

    2016-07-01

    An improved method for the inertial measurement unit (IMU) calibration of coarse alignment for the low-accuracy attitude heading reference system (AHRS) is proposed in this paper. The sensitivities of the Euler angles with respect to the inertial sensor biases are studied based on the analytic coarse alignment principle, and the errors of earth rotation rate and local gravity in the body frame caused by initial attitude error are analyzed. Then, an improved analytic coarse alignment algorithm with accelerometer and gyro bias calibration in an arbitrary three-position is proposed. Simulation and experiment results show that the novel method can calibrate accelerometer and gyro biases, reduce Euler angle attitude error, and improve navigation precision in practical applications. Moreover, this method can be applied to other low-accuracy inertial navigation systems.

  19. Impact of marble waste as coarse aggregate on properties of lean cement concrete

    Directory of Open Access Journals (Sweden)

    Sudarshan D. Kore

    2016-06-01

    Full Text Available Marble industry produces large amount of waste during mining and processing stages. This waste is dumped on to open land which creates a lot of environmental problems. The main objective of this study was utilization of marble waste as a replacement for conventional natural coarse aggregate in concrete. Experimental investigations were carried out to examine the feasibility of use of marble waste as a coarse aggregate in concrete. Conventional natural coarse aggregate was replaced by marble aggregate in different percentages 0–100% by weight. The concrete formulations were prepared with a constant water–cement ratio 0.60. It was observed that workability of concrete mixes containing marble aggregate was 14% more than that of control concrete. The average compressive strength of all the concrete mixes containing marble aggregate increased by 40% and 18% at 7 and 28 days, respectively.

  20. Systematic and simulation-free coarse graining of homopolymer melts: A structure-based study

    International Nuclear Information System (INIS)

    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

  1. The material from Lampung as coarse aggregate to substitute andesite for concrete-making

    Science.gov (United States)

    Amin, M.; Supriyatna, Y. I.; Sumardi, S.

    2018-01-01

    Andesite stone is usually used for split stone material in the concrete making. However, its availability is decreasing. Lampung province has natural resources that can be used for coarse aggregate materials to substitute andesite stone. These natural materials include limestone, feldspar stone, basalt, granite, and slags from iron processing waste. Therefore, a research on optimizing natural materials in Lampung to substitute andesite stone for concrete making is required. This research used laboratory experiment method. The research activities included making cubical object samples of 150 x 150 x 150 mm with material composition referring to a standard of K.200 and w/c 0.61. Concrete making by using varying types of aggregates (basalt, limestone, slag) and aggregate sizes (A = 5-15 mm, B = 15-25 mm, and 25-50 mm) was followed by compressive strength test. The results showed that the obtained optimal compressive strengths for basalt were 24.47 MPa for 50-150 mm aggregate sizes, 21.2 MPa for 15-25 mm aggregate sizes, and 20.7 MPa for 25-50 mm aggregate sizes. These results of basalt compressive strength values were higher than the same result for andesite (19.69 MPa for 50-150 mm aggregate sizes), slag (22.72 MPa for 50-150 mm aggregate sizes), and limestone (19.69 Mpa for 50-150 mm aggregate sizes). These results indicated that basalt, limestone, and slag aggregates were good enough to substitute andesite as materials for concrete making. Therefore, natural resources in Lampung can be optimized as construction materials in concrete making.

  2. Chemical composition of glass and crystalline phases in coarse coal gasification ash

    Energy Technology Data Exchange (ETDEWEB)

    R.H. Matjie; Zhongsheng Li; Colin R. Ward; David French [Sasol Technology (Pty) Ltd., Sasolburg (South Africa)

    2008-05-15

    A procedure has been developed for determining the chemical composition and relative abundance of the amorphous or glassy material, as well as crystalline phases, present in coarse coal gasification ash, in order to assist in predicting the behaviour of the material in cement/brick/concrete applications. The procedure is based on a combination of quantitative X-ray diffraction (XRD), chemical analysis and electron microprobe studies. XRD analysis indicates that the clinker samples contain a number of crystalline high temperature phases, including anorthite, mullite, cristobalite, quartz and diopside. Quantitative evaluation using Rietveld-based techniques has been used to determine the percentages of both the individual crystalline phases and the glass component. These data were then combined with the chemistry of the crystalline phases and the overall chemical composition of the ash to estimate the chemical composition of the glass phase, which is typically the most abundant component present in the different materials. Although there is some degree of scatter, comparison between the inferred glass composition from XRD and bulk chemistry and actual data on the glass composition using electron microprobe techniques suggest that the two approaches are broadly consistent. The microprobe further indicates that a range of compositions are present in the glassy and crystalline components of the ashes, including Si-Al-rich glass, metakaolin and Fe-Ca-Mg-Ti phases, as well as quartz, anorthite and an aluminophosphate material. Electron microprobe and XRD studies also show that pyrrhotite (FeS), representing a high temperature transformation product of pyrite, is present in some clinker and partially burnt carbonaceous shale samples. 27 refs., 5 figs., 7 tabs.

  3. Coarse analysis of collective behaviors: Bifurcation analysis of the optimal velocity model for traffic jam formation

    Science.gov (United States)

    Miura, Yasunari; Sugiyama, Yuki

    2017-12-01

    We present a general method for analyzing macroscopic collective phenomena observed in many-body systems. For this purpose, we employ diffusion maps, which are one of the dimensionality-reduction techniques, and systematically define a few relevant coarse-grained variables for describing macroscopic phenomena. The time evolution of macroscopic behavior is described as a trajectory in the low-dimensional space constructed by these coarse variables. We apply this method to the analysis of the traffic model, called the optimal velocity model, and reveal a bifurcation structure, which features a transition to the emergence of a moving cluster as a traffic jam.

  4. Fouling of coarse-clastic sediments with macrophytes depending on the rate of abrasion, Murmansk coast

    Science.gov (United States)

    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.

  5. Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models

    DEFF Research Database (Denmark)

    Stovgaard, Kasper; Andreetta, Christian; Ferkinghoff-Borg, Jesper

    2010-01-01

    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, Torus...

  6. Coarse Spaces by Algebraic Multigrid: Multigrid Convergence and Upscaled Error Estimates

    Energy Technology Data Exchange (ETDEWEB)

    Vassilevski, P S

    2010-04-30

    We give an overview of a number of algebraic multigrid methods targeting finite element discretization problems. The focus is on the properties of the constructed hierarchy of coarse spaces that guarantee (two-grid) convergence. In particular, a necessary condition known as 'weak approximation property', and a sufficient one, referred to as 'strong approximation property' are discussed. Their role in proving convergence of the TG method (as iterative method) and also on the approximation properties of the AMG coarse spaces if used as discretization tool is pointed out. Some preliminary numerical results illustrating the latter aspect are also reported.

  7. Modelling ventricular fibrillation coarseness during cardiopulmonary resuscitation by mixed effects stochastic differential equations.

    Science.gov (United States)

    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.

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

    KAUST Repository

    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.

  9. Pore-Water Quality in the Clay-Silt Confining Units of the Lower Miocene Kirkwood Formation and Hypothetical Effects on Water Quality in the Atlantic City 800-Foot Sand, Northeastern Cape May County, New Jersey, 2001

    Science.gov (United States)

    Szabo, Zoltan; Keller, Elizabeth A.; Defawe, Rose M.

    2006-01-01

    Pore water was extracted from clay-silt core samples collected from a borehole at Ocean View, west of Sea Isle City, in northeastern Cape May County, New Jersey. The borehole intersects the lower Miocene Kirkwood Formation, which includes a thick sand and gravel unit between two clay-silt units. The sand and gravel unit forms a major confined aquifer in the region, known as the Atlantic City 800-foot sand, the major source of potable water along the Atlantic Coast of southern New Jersey. The pore water from the core is of interest because the borehole intersects the aquifer in an area where the ground water is sodium-rich and sulfidic. Locally in the aquifer in central and southern Cape May County, sodium concentrations are near the New Jersey secondary drinking-water standard of 50 mg/L (milligrams per liter), and typically are greater than 30 mg/L, but chloride and sulfate do not approach their respective secondary drinking-water standards except in southernmost Cape May County. Pore waters from the confining units are suspected to be a source of sodium, sulfur, and chloride to the aquifer. Constituent concentrations in filtered pore-water samples were determined using the inductively coupled plasma-mass spectrometry analytical technique to facilitate the determination of low-level concentrations of many trace constituents. Calcium-sodium-sulfate-bicarbonate, calcium-chloride-sulfate, calcium-sulfate, and sodium-sulfate-chloride-bicarbonate type waters characterize samples from the deepest part of the confining unit directly overlying the aquifer (termed the 'lower' confining unit). A sodium-chloride-sulfate type water is dominant in the composite confining unit below the aquifer. Sodium, chloride, and sulfate became increasingly dominant with depth. Pore water from the deepest sample recovered (1,390 ft (feet) below land surface) was brackish, with concentrations of sodium, chloride, and sulfate of 5,930, 8,400, and 5,070 mg/L, respectively. Pore-water samples

  10. Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization

    Science.gov (United States)

    Luo, Chuanfu; Sommer, Jens-Uwe

    2009-08-01

    , including test data, etc.: 940 798 No. of bytes in distributed program, including test data, etc.: 12 536 245 Distribution format: tar.gz Programming language: C++/MPI Computer: Tested on Intel-x86 and AMD64 architectures. Should run on any architecture providing a C++ compiler Operating system: Tested under Linux. Any other OS with C++ compiler and MPI library should suffice Has the code been vectorized or parallelized?: Yes RAM: Depends on system size and how many CPUs are used Classification: 7.7 External routines: LAMMPS ( http://lammps.sandia.gov/), FFTW ( http://www.fftw.org/) Nature of problem: Implementing special tabular angle potentials and Lennard-Jones-9-6 style interactions of a coarse grained polymer model for LAMMPS code. Solution method: Cubic spline interpolation of input tabulated angle potential data. Restrictions: The code is based on a former version of LAMMPS. Unusual features.: Any special angular potential can be used if it can be tabulated. Running time: Seconds to weeks, depending on system size, speed of CPU and how many CPUs are used. The test run provided with the package takes about 5 minutes on 4 AMD's opteron (2.6 GHz) CPUs. References:D. Reith, H. Meyer, F. Müller-Plathe, Macromolecules 34 (2001) 2335-2345. H. Meyer, F. Müller-Plathe, J. Chem. Phys. 115 (2001) 7807. H. Meyer, F. Müller-Plathe, Macromolecules 35 (2002) 1241-1252.

  11. Underground riparian wood: Buried stem and coarse root structures of Black Poplar (Populus nigra L.)

    Science.gov (United States)

    Holloway, James V.; Rillig, Matthias C.; Gurnell, Angela M.

    2017-02-01

    Despite the potential importance of tree species in influencing the processes of wood recruitment, transport, retention, and decay that control river wood budgets, focus has been relatively limited on this theme within fluvial wood research. Furthermore, one of the least investigated topics is the belowground living wood component of riparian trees. This paper presents observations of the morphology and age of buried stem and coarse root structures of eight Populus nigra individuals located in the riparian woodland of two sites on the middle to lower Tagliamento River, Italy. This species was selected because of its wide distribution along European rivers and its frequent dominance of riparian woodland. Each tree was excavated by hand to expose a minimum of half of the root system with complete exposure of the main axis. Smaller roots were then removed and larger protruding roots cut back to permit access to the main axis. The excavated structures were photographed from multiple angles for photogrammetric modelling; the structure and character of the exposed sediments around the tree's main axis were recorded; and wood samples were taken from the main aboveground stem(s), sections of the main buried axis, and major roots for dendrochronological analysis. Results from these field observations and laboratory dating of the wood samples were combined to describe the belowground morphology of each tree and to draw inferences concerning the impact of fluvial disturbances. Common features of these excavated structures included: (i) rooting depths to below the bar surface where the original tree established, with many young roots also existing at depth; (ii) translocation of the main buried axis in a downstream direction; (iii) a main buried axis comprised mainly of stems that have become buried and then generated new shoots, including multistem patches, and adventitious roots; (iv) the presence of steps and bends in the main buried axis associated with the generation of

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

    Directory of Open Access Journals (Sweden)

    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.

  13. Suitability of coarse-grade gypsum for sodic soil reclamation: a laboratory experiment

    NARCIS (Netherlands)

    Elshout, van den S.; Kamphorst, A.

    1990-01-01

    Costs of sodic soil reclamation can be reduced when coarse-grade gypsum is used, as the production and transport prices of this gypsum are much lower than that of agricultural-grade gypsum. In a feasibility study laboratory experiments were conducted to evaluate the leaching water requirements for

  14. Systematic coarse graining from structure using internal states: application to phospholipid/cholesterol bilayer

    DEFF Research Database (Denmark)

    Murtola, Teemu; Karttunen, Mikko; Vattulainen, Ilpo

    2009-01-01

    We present a two-dimensional coarse-grained (CG) model for a lipid membrane composed of phospholipids and cholesterol. The effective CG interactions are determined using radial distribution functions (RDFs) from atom-scale molecular dynamics simulations using the inverse Monte Carlo (IMC) technique...

  15. Distance-limited perpendicular distance sampling for coarse woody debris: theory and field results

    Science.gov (United States)

    Mark J. Ducey; Micheal S. Williams; Jeffrey H. Gove; Steven Roberge; Robert S. Kenning

    2013-01-01

    Coarse woody debris (CWD) has been identified as an important component in many forest ecosystem processes. Perpendicular distance sampling (PDS) is one of the several efficient new methods that have been proposed for CWD inventory. One drawback of PDS is that the maximum search distance can be very large, especially if CWD diameters are large or the volume factor...

  16. Climatological Aspects of the Optical Properties of Fine/Coarse Mode Aerosol Mixtures

    Science.gov (United States)

    Eck, T. F.; Holben, B. N.; Sinyuk, A.; Pinker, R. T.; Goloub, P.; Chen, H.; Chatenet, B.; Li, Z.; Singh, R. P.; Tripathi, S.N.; hide

    2010-01-01

    Aerosol mixtures composed of coarse mode desert dust combined with fine mode combustion generated aerosols (from fossil fuel and biomass burning sources) were investigated at three locations that are in and/or downwind of major global aerosol emission source regions. Multiyear monitoring data at Aerosol Robotic Network sites in Beijing (central eastern China), Kanpur (Indo-Gangetic Plain, northern India), and Ilorin (Nigeria, Sudanian zone of West Africa) were utilized to study the climatological characteristics of aerosol optical properties. Multiyear climatological averages of spectral single scattering albedo (SSA) versus fine mode fraction (FMF) of aerosol optical depth at 675 nm at all three sites exhibited relatively linear trends up to 50% FMF. This suggests the possibility that external linear mixing of both fine and coarse mode components (weighted by FMF) dominates the SSA variation, where the SSA of each component remains relatively constant for this range of FMF only. However, it is likely that a combination of other factors is also involved in determining the dynamics of SSA as a function of FMF, such as fine mode particles adhering to coarse mode dust. The spectral variation of the climatological averaged aerosol absorption optical depth (AAOD) was nearly linear in logarithmic coordinates over the wavelength range of 440-870 nm for both the Kanpur and Ilorin sites. However, at two sites in China (Beijing and Xianghe), a distinct nonlinearity in spectral AAOD in logarithmic space was observed, suggesting the possibility of anomalously strong absorption in coarse mode aerosols increasing the 870 nm AAOD.

  17. The role of microstructural aspects on the performance of coarse-grained superplastic Al alloys

    NARCIS (Netherlands)

    Chezan, A.R; de Hosson, J.T.M.; Houtte, PV; Kestens, L

    2005-01-01

    Deformed under optimum conditions of temperature and strain rate, coarse-grained aluminum alloys show elongation to failure in excess of 300%. The strain rate sensitivity index and the activation energy point to solute drag creep as the principal mechanism, a mechanism that has virtually no grain

  18. Polarizable Water Model for the Coarse-Grained MARTINI Force Field

    NARCIS (Netherlands)

    Yesylevskyy, Semen O.; Schafer, Lars V.; Sengupta, Durba; Marrink, Siewert J.

    Coarse-grained (CG) simulations have become an essential tool to study a large variety of biomolecular processes, exploring temporal and spatial scales inaccessible to traditional models of atomistic resolution. One of the major simplifications of CG models is the representation of the solvent,

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

    DEFF Research Database (Denmark)

    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...

  20. Coarse-to-Fine Learning for Single-Image Super-Resolution.

    Science.gov (United States)

    Zhang, Kaibing; Tao, Dacheng; Gao, Xinbo; Li, Xuelong; Li, Jie

    2017-05-01

    This paper develops a coarse-to-fine framework for single-image super-resolution (SR) reconstruction. The coarse-to-fine approach achieves high-quality SR recovery based on the complementary properties of both example learning-and reconstruction-based algorithms: example learning-based SR approaches are useful for generating plausible details from external exemplars but poor at suppressing aliasing artifacts, while reconstruction-based SR methods are propitious for preserving sharp edges yet fail to generate fine details. In the coarse stage of the method, we use a set of simple yet effective mapping functions, learned via correlative neighbor regression of grouped low-resolution (LR) to high-resolution (HR) dictionary atoms, to synthesize an initial SR estimate with particularly low computational cost. In the fine stage, we devise an effective regularization term that seamlessly integrates the properties of local structural regularity, nonlocal self-similarity, and collaborative representation over relevant atoms in a learned HR dictionary, to further improve the visual quality of the initial SR estimation obtained in the coarse stage. The experimental results indicate that our method outperforms other state-of-the-art methods for producing high-quality images despite that both the initial SR estimation and the followed enhancement are cheap to implement.

  1. Cyclic behavior of low rise concrete shear walls containing recycled coarse and fine aggregates

    NARCIS (Netherlands)

    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:

  2. Mechanical Properties of Lightweight Concrete Using Recycled Cement-Sand Brick as Coarse Aggregates Replacement

    Science.gov (United States)

    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.

  3. Characterizing protein conformations by correlation analysis of coarse-grained contact matrices

    Science.gov (United States)

    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. Molecular Dynamics Simulation of Coarse-Grain Model of Silicon Functionalized Graphene

    Directory of Open Access Journals (Sweden)

    Hui Zhixin

    2015-01-01

    Full Text Available The electronic transport, the storage capacity and the service life of the anode material for lithium ion batteries will be reduced seriously in the event of the material layering or cracking, so the anode material must have strong mechanical reliability. Firstly, in view of the traditional molecular dynamics (MD limited by the geometric scales of the model of Silicon functionalized graphenen (SFG as lithium ion batteries anode material, some full atomic models of SFG were established using Tersoff potential and Lennard-Jones potential, and used to calculate the modulus and the adhesion properties. What’s more, the assertion of mechanical equilibrium condition and energy conservation between full atomic and coarse-grain models through elastic strain energy were enforced to arrive at model parameters. The model of SFG coarse-grain bead-spring elements and its system energy function were obtained via full atomic simulations. Finally, the validity of the SFG coarse-grain model was verified by comparing the tensile property of coarse-grain model with full atoms model.

  5. Lessons Learned from Designing the Montium a Coarse-Grained Reconfigurable Processing Tile

    NARCIS (Netherlands)

    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

  6. Common factors drive disease and coarse woody debris dynamics in forests impacted by sudden oak death

    Science.gov (United States)

    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...

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

    Science.gov (United States)

    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.

  8. Filter clogging in coarse pore filtration activated sludge process under high MLSS concentration.

    Science.gov (United States)

    Moghaddam, M R Alavi; Guan, Y; Satoh, H; Mino, T

    2006-01-01

    Coarse pore filtration activated sludge process is a type of hybrid process in which the secondary settling tank of the conventional activated sludge process is replaced by non- woven and coarse pore filter modules. The filter has pores, which are irregular in shape, and much bigger than micro-filtration membrane pores in size. The objective of the study is to find out the effect of the microbial community structure on filter clogging in the coarse pore filtration activated sludge process under high MLSS concentration in aerobic and anoxic/aerobic (A/A) conditions. Filter clogging started from day 65 and 70 in the A/A and aerobic process, respectively, but it was more severe in the A/A process compared to that in the aerobic process. EPS contents of sludge did not change significantly during the operation in both processes, and did not have a crucial effect on the observed filter clogging. There was no strong evidence for direct effect of the type and number of metazoa on filter clogging. The main difference between aerobic sludge and A/A sludge during the filter clogging period was the relative abundance of filamentous bacteria. According to the obtained results, it can be concluded that a higher presence of filamentous bacteria could reduce the severity of filter clogging in a coarse pore filtration activated sludge process.

  9. Seasonal variation of coarse aerosol particle concentration at Syowa Station, Antarctica

    Directory of Open Access Journals (Sweden)

    Kazuo Osada

    2010-12-01

    Full Text Available Number-size distributions (D_p>0.3 μm of atmospheric aerosol particles were measured at Syowa Station, Antarctica, from February 2004 to January 2006. Volume concentrations of coarse particles (D_p 1.0-5.0 μm were low in December to January and high in the rest of the year. To identify factors controlling the seasonal variation of coarse particle concentrations at Syowa Station, seasonal variations of wind speed distribution over the Southern Ocean, sea ice extent, wind speed at the edge of sea ice and at Syowa Station, and seasonal patterns of backward air trajectories were compared with the volume concentrations of coarse particles. Patterns of backward air trajectories and changes in size distributions of coarse particles associated with sea ice extent suggest changes in major source areas of sea salt particles observed at Syowa Station: coastal areas near Syowa in February and March, but far north of the sea ice edge, around 60゜ south, in October.

  10. DNA Self-Assembly and Computation Studied with a Coarse-grained Dynamic Bonded Model

    DEFF Research Database (Denmark)

    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...

  11. Wind turbine large-eddy simulations on very coarse grid resolutions using an actuator line model

    NARCIS (Netherlands)

    Martínez-Tossas, Luis A.; Stevens, Richard J.A.M.; Meneveau, Charles

    2016-01-01

    In this work the accuracy of the Actuator Line Model (ALM) in Large Eddy Simulations of wind turbine flow is studied under the specific conditions of very coarse spatial resolutions. For finely-resolved conditions, it is known that ALM provides better accuracy compared to the standard Actuator Disk

  12. Wind Farm Large-Eddy Simulations on Very Coarse Grid Resolutions using an Actuator Line Model

    NARCIS (Netherlands)

    Martinez, L.A.; Meneveau, C.; Stevens, Richard Johannes Antonius Maria

    2016-01-01

    In this work the accuracy of the Actuator Line Model (ALM) in Large Eddy Simula- tions of wind turbine flow is studied under the speci c conditions of very coarse spatial resolutions. For finely-resolved conditions, it is known that ALM provides better accuracy compared to the standard Actuator Disk

  13. Combining fine texture and coarse color features for color texture classification

    Science.gov (United States)

    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.

  14. Role of soil texture, clay mineralogy, location, and temperature in coarse wood decomposition - a mesocosm experiment

    Science.gov (United States)

    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%,...

  15. Controlling coarse woody debris inventory quality: taper and relative size methods

    Science.gov (United States)

    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...

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

    Czech Academy of Sciences Publication Activity Database

    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

  17. Coarse woody debris in undisturbed and logged forests in the eastern Brazilian Amazon.

    Science.gov (United States)

    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...

  18. A coarse-to-fine scheme for groupwise registration of multisensor images

    Directory of Open Access Journals (Sweden)

    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.

  19. Power-Aware Rationale for Using Coarse-Grained Transponders in IP-Over-WDM Networks

    DEFF Research Database (Denmark)

    Saldaña Cercos, Silvia; Resendo, Leandro C.; Ribeiro, Moises R. N.

    2015-01-01

    generations. However, the adoption of such coarse-grained bit-rate granularity with lower flexibility for traffic grooming raises important questions: (1) What repercussions do they have on the overall power consumption and thus operational expenditures (OPEX) compared to legacy fine-grained designs (i...

  20. Coarse-Graining Can Beat the Rotating Wave Approximation in Quantum Markovian Master Equations

    DEFF Research Database (Denmark)

    Majenz, Christian; Albash, Tameem; Breuer, Heinz-Peter

    2013-01-01

    We present a first-principles derivation of the Markovian semi-group master equation without invoking the rotating wave approximation (RWA). Instead we use a time coarse-graining approach which leaves us with a free timescale parameter, which we can optimize. Comparing this approach to the standa...

  1. Spatio-temporal variation of coarse woody debris input in woodland key habitats in central Sweden

    Science.gov (United States)

    Mari Jonsson; Shawn Fraver; Bengt Gunnar. Jonsson

    2011-01-01

    The persistence of many saproxylic (wood-living) species depends on a readily available supply of coarse woody debris (CWD). Most studies of CWD inputs address stand-level patterns, despite the fact that many saproxylic species depend on landscape-level supplies of CWD. In the present study we used dated CWD inputs (tree mortality events) at each of 14 Norway spruce (...

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

    Czech Academy of Sciences Publication Activity Database

    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

  3. Decomposition rates of American chestnut (Castanea dentata) wood and implications for coarse woody debris pools

    Science.gov (United States)

    Arjan de Bruijn; Eric J. Gustafson; Daniel M. Kashian; Harmony J. Dalgleish; Brian R. Sturtevant; Douglass F. Jacobs

    2014-01-01

    Observations of the rapid growth and slow decomposition of American chestnut (Castanea dentata (Marsh.) Borkh.) suggest that its reintroduction could enhance terrestrial carbon (C) sequestration. A suite of decomposition models was fit with decomposition data from coarse woody debris (CWD) sampled in Wisconsin and Virginia, U.S. The optimal (two-...

  4. Simulation of gel phase formation and melting in lipid bilayers using a coarse grained model

    NARCIS (Netherlands)

    Marrink, SJ; Risselada, J; Mark, AE

    The transformation between a gel and a fluid phase in dipalmitoyl-phosphatidylcholine (DPPC) bilayers has been simulated using a coarse grained (CG) model by cooling bilayer patches composed of up to 8000 lipids. The critical step in the transformation process is the nucleation of a gel cluster

  5. Comparing non-parametric methods for ungrouping coarsely aggregated age-specific distributions

    DEFF Research Database (Denmark)

    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...

  6. Measurements of coarse control arm drop characteristics in the materials testing reactor HIFAR

    International Nuclear Information System (INIS)

    Marshall, J.; Blevins, R.J.

    1983-02-01

    Measurements were made of the angular position/time characteristics of a coarse control arm in the AAEC's materials testing reactor HIFAR, following a trip. The method of measurment is described and the results are presented. It is clear that all of the measured transients may be reasonably fitted by a single differential equation

  7. A wavelet-based coarse-to-fine image matching scheme in a parallel virtual machine environment.

    Science.gov (United States)

    You, J; Bhattacharya, P

    2000-01-01

    We present a wavelet-based, high performance, hierarchical scheme for image matching which includes (1) dynamic detection of interesting points as feature points at different levels of subband images via the wavelet transform, (2) adaptive thresholding selection based on compactness measures of fuzzy sets in image feature space, and (3) a guided searching strategy for the best matching from coarse level to fine level. In contrast to the traditional parallel approaches which rely on specialized parallel machines, we explored the potential of distributed systems for parallelism. The proposed image matching algorithms were implemented on a network of workstation clusters using parallel virtual machine (PVM). The results show that our wavelet-based hierarchical image matching scheme is efficient and effective for object recognition.

  8. Dissipative Particle Dynamics Simulations for Phospholipid Membranes Based on a Four-To-One Coarse-Grained Mapping Scheme.

    Directory of Open Access Journals (Sweden)

    Xiaoxu Li

    Full Text Available In this article, a new set of parameters compatible with the dissipative particle dynamics (DPD force field is developed for phospholipids. The coarse-grained (CG models of these molecules are constructed by mapping four heavy atoms and their attached hydrogen atoms to one bead. The beads are divided into types distinguished by charge type, polarizability, and hydrogen-bonding capacity. First, we derive the relationship between the DPD repulsive force and Flory-Huggins χ-parameters based on this four-to-one CG mapping scheme. Then, we optimize the DPD force parameters for phospholipids. The feasibility of this model is demonstrated by simulating the structural and thermodynamic properties of lipid bilayer membranes, including the membrane thickness, the area per lipid, the lipid tail orientation, the bending rigidity, the rupture behavior, and the potential of mean force for lipid flip-flop.

  9. Boulder-Faced Log Dams and other Alternatives for Gabion Check Dams in First-Order Ephemeral Streams with Coarse Bed Load in Ethiopia

    Science.gov (United States)

    Nyssen, Jan; Gebreslassie, Seifu; Assefa, Romha; Deckers, Jozef; Guyassa, Etefa; Poesen, Jean; Frankl, Amaury

    2017-04-01

    Many thousands of gabion check dams have been installed to control gully erosion in Ethiopia, but several challenges still remain, such as the issue of gabion failure in ephemeral streams with coarse bed load, that abrades at the chute step. As an alternative for gabion check dams in torrents with coarse bed load, boulder-faced log dams were conceived, installed transversally across torrents and tested (n = 30). For this, logs (22-35 cm across) were embedded in the banks of torrents, 0.5-1 m above the bed and their upstream sides were faced with boulders (0.3-0.7 m across). Similar to gabion check dams, boulder-faced log dams lead to temporary ponding, spreading of peak flow over the entire channel width and sediment deposition. Results of testing under extreme flow conditions (including two storms with return periods of 5.6 and 7 years) show that 18 dams resisted strong floods. Beyond certain flood thresholds, represented by proxies such as Strahler's stream order, catchment area, D95 or channel width), 11 log dams were completely destroyed. Smallholder farmers see much potential in this type of structure to control first-order torrents with coarse bed load, since the technique is cost-effective and can be easily installed.

  10. Coarse Analysis of Microscopic Models using Equation-Free Methods

    DEFF Research Database (Denmark)

    Marschler, Christian

    -dimensional models. The goal of this thesis is to investigate such high-dimensional multiscale models and extract relevant low-dimensional information from them. Recently developed mathematical tools allow to reach this goal: a combination of so-called equation-free methods with numerical bifurcation analysis...... using short simulation bursts of computationally-expensive complex models. Those information is subsequently used to construct bifurcation diagrams that show the parameter dependence of solutions of the system. The methods developed for this thesis have been applied to a wide range of relevant problems....... Applications include the learning behavior in the barn owl’s auditory system, traffic jam formation in an optimal velocity model for circular car traffic and oscillating behavior of pedestrian groups in a counter-flow through a corridor with narrow door. The methods do not only quantify interesting properties...

  11. Coarse climate change projections for species living in a fine-scaled world.

    Science.gov (United States)

    Nadeau, Christopher P; Urban, Mark C; Bridle, Jon R

    2017-01-01

    Accurately predicting biological impacts of climate change is necessary to guide policy. However, the resolution of climate data could be affecting the accuracy of climate change impact assessments. Here, we review the spatial and temporal resolution of climate data used in impact assessments and demonstrate that these resolutions are often too coarse relative to biologically relevant scales. We then develop a framework that partitions climate into three important components: trend, variance, and autocorrelation. We apply this framework to map different global climate regimes and identify where coarse climate data is most and least likely to reduce the accuracy of impact assessments. We show that impact assessments for many large mammals and birds use climate data with a spatial resolution similar to the biologically relevant area encompassing population dynamics. Conversely, impact assessments for many small mammals, herpetofauna, and plants use climate data with a spatial resolution that is orders of magnitude larger than the area encompassing population dynamics. Most impact assessments also use climate data with a coarse temporal resolution. We suggest that climate data with a coarse spatial resolution is likely to reduce the accuracy of impact assessments the most in climates with high spatial trend and variance (e.g., much of western North and South America) and the least in climates with low spatial trend and variance (e.g., the Great Plains of the USA). Climate data with a coarse temporal resolution is likely to reduce the accuracy of impact assessments the most in the northern half of the northern hemisphere where temporal climatic variance is high. Our framework provides one way to identify where improving the resolution of climate data will have the largest impact on the accuracy of biological predictions under climate change. © 2016 John Wiley & Sons Ltd.

  12. Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed

    Energy Technology Data Exchange (ETDEWEB)

    Cipcigan, Flaviu S., E-mail: flaviu.cipcigan@ed.ac.uk [School of Physics and Astronomy, University of Edinburgh, Peter Guthrie Tait Road, Edinburgh EH9 3FD (United Kingdom); National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Sokhan, Vlad P. [National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Crain, Jason [School of Physics and Astronomy, University of Edinburgh, Peter Guthrie Tait Road, Edinburgh EH9 3FD (United Kingdom); National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Martyna, Glenn J. [IBM T. J. Watson Research Center, Yorktown Heights, NY 10598 (United States)

    2016-12-01

    One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heterogeneous environments, where electronic responses give rise to biologically important forces such as many-body polarisation and dispersion. The importance of polarisation in the condensed phase was recognised early on, as described by Cochran in 1959 [Philosophical Magazine 4 (1959) 1082–1086] [32]. Currently in molecular simulation, dispersion forces are treated at the two-body level and in the dipole limit, although the importance of three-body terms in the condensed phase was demonstrated by Barker in the 1980s [Phys. Rev. Lett. 57 (1986) 230–233] [72]. One approach for treating both polarisation and dispersion on an equal basis is to coarse grain the electrons surrounding a molecular moiety to a single quantum harmonic oscillator (cf. Hirschfelder, Curtiss and Bird 1954 [The Molecular Theory of Gases and Liquids (1954)] [37]). The approach, when solved in strong coupling beyond the dipole limit, gives a description of long-range forces that includes two- and many-body terms to all orders. In the last decade, the tools necessary to implement the strong coupling limit have been developed, culminating in a transferable model of water with excellent predictive power across the phase diagram. Transferability arises since the environment automatically identifies the important long range interactions, rather than the modeler through a limited set of expressions. Here, we discuss the role of electronic coarse-graining in predictive multiscale materials modelling and describe the first implementation of the method in a general purpose molecular dynamics software: QDO-MD. - Highlights: • Electronic coarse graining unites many-body dispersion and polarisation beyond the dipole limit. • It consists of replacing the electrons of a molecule using a quantum harmonic oscillator, called a

  13. Coarse-Grained Tsunami Deposits in the Canary Islands: Evidence of the Tsunamigenic Potential of Volcanic Flank Failures

    Science.gov (United States)

    Austin-Giddings, W. D.; Tappin, D. R.; McGuire, W. J.

    2008-12-01

    Coarse-grained, polymict deposits draping hillslopes at high elevations on ocean island volcanoes have been variously interpreted as sourced from sea-level high-stands and tsunamis, their origin is thus controversial. Here, we present a detailed facies analysis of coarse-grained, fossiliferous sediments located at Agaete, on the north-west coast of Gran Canaria. Previously interpreted as the result of a sea-level high-stand, these deposits have recently been re-interpreted as sourced from a tsunami resulting from a volcano flank collapse. The tsunami deposit occurs at several locations in the Agaete valley, up to 188 m a.s.l. and two kilometres inland from the coast. The sediments comprise two reverse graded units, separated by a soil horizon with calcrete. The units are up to 2 m in thickness and contain a diverse assemblage of volcanic clasts, large beachrock boulders and a marine fauna that includes planktic, shallow and deep-water benthic foraminifera. The base of the lower unit is erosional and truncates plant roots and contains large soil clasts up to 1.5m in diameter. The upper unit is finer grained and is more extensive. At one location the lower unit comprises prograding beds that are interpreted as alluvial. The alternative 'high-stand' interpretation of the coarse-grained deposit is here discounted because of the absence of supporting geomorphological features such as a marine terrace and/or a wave cut platform, the composition of the sediments and their altitude. A tsunami origin is therefore proposed. Gran Canaria is in its post-shield erosional stage of development and has experienced limited vertical uplift of ~40-50 m over the past 1.75 Ma. Thus uplift cannot account for the occurrence of the sediments at elevations of 188 m a.s.l. The Güimar lateral collapse on the neighbouring island of Tenerife (~800ka) has been cited as a possible source. U/Pb dating of the deposits is currently being undertaken.

  14. Influence of canopy closure and shrub coverage on travel along coarse woody debris by Eastern chipmunks (Tamias striatus)

    Science.gov (United States)

    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...

  15. Physical and numerical modeling of an inclined three-layer (silt/gravelly sand/clay) capillary barrier cover system under extreme rainfall.

    Science.gov (United States)

    Ng, Charles W W; Liu, Jian; Chen, Rui; Xu, Jie

    2015-04-01

    As an extension of the two-layer capillary barrier, a three-layer capillary barrier landfill cover system is proposed for minimizing rainfall infiltration in humid climates. This system consists of a compacted clay layer lying beneath a conventional cover with capillary barrier effects (CCBE), which is in turn composed of a silt layer sitting on top of a gravelly sand layer. To explore the effectiveness of the new system in minimizing rainfall infiltration, a flume model (3.0 m × 1.0 m × 1.1 m) was designed and set up in this study. This physical model was heavily instrumented to monitor pore water pressure, volumetric water content, surface runoff, infiltration and lateral drainage of each layer, and percolation of the cover system. The cover system was subjected to extreme rainfall followed by evaporation. The experiment was also back-analyzed using a piece of finite element software called CODE_BRIGHT to simulate transient water flows in the test. Based on the results obtained from various instruments, it was found that breakthrough of the two upper layers occurred for a 4-h rainfall event having a 100-year return period. Due to the presence of the newly introduced clay layer, the percolation of the three-layer capillary barrier cover system was insignificant because the clay layer enabled lateral diversion in the gravelly sand layer above. In other words, the gravelly sand layer changed from being a capillary barrier in a convention CCBE cover to being a lateral diversion passage after the breakthrough of the two upper layers. Experimental and back-analysis results confirm that no infiltrated water seeped through the proposed three-layer barrier system. The proposed system thus represents a promising alternative landfill cover system for use in humid climates. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. Parametric study of the physical properties of hydrate-bearing sand, silt, and clay sediments: 2. Small-strain mechanical properties

    Science.gov (United States)

    Lee, J.Y.; Francisca, F.M.; Santamarina, J.C.; Ruppel, C.

    2010-01-01

    The small-strain mechanical properties (e.g., seismic velocities) of hydrate-bearing sediments measured under laboratory conditions provide reference values for calibration of logging and seismic exploration results acquired in hydrate-bearing formations. Instrumented cells were designed for measuring the compressional (P) and shear (S) velocities of sand, silts, and clay with and without hydrate and subject to vertical effective stresses of 0.01 to 2 MPa. Tetrahydrofuran (THF), which is fully miscible in water, was used as the hydrate former to permit close control over the hydrate saturation Shyd and to produce hydrate from dissolved phase, as methane hydrate forms in most natural marine settings. The results demonstrate that laboratory hydrate formation technique controls the pattern of P and S velocity changes with increasing Shyd and that the small-strain properties of hydrate-bearing sediments are governed by effective stress, δ'v and sediment specific surface. The S velocity increases with hydrate saturation owing to an increase in skeletal shear stiffness, particularly when hydrate saturation exceeds Shyd≈ 0.4. At very high hydrate saturations, the small strain shear stiffness is determined by the presence of hydrates and becomes insensitive to changes in effective stress. The P velocity increases with hydrate saturation due to the increases in both the shear modulus of the skeleton and the bulk modulus of pore-filling phases during fluid-to-hydrate conversion. Small-strain Poisson's ratio varies from 0.5 in soft sediments lacking hydrates to 0.25 in stiff sediments (i.e., subject to high vertical effective stress or having high Shyd). At Shyd ≥ 0.5, hydrate hinders expansion and the loss of sediment stiffness during reduction of vertical effective stress, meaning that hydrate-rich natural sediments obtained through pressure coring should retain their in situ fabric for some time after core retrieval if the cores are maintained within the hydrate

  17. DECK: Distance and environment-dependent, coarse-grained, knowledge-based potentials for protein-protein docking

    Directory of Open Access Journals (Sweden)

    Vakser Ilya A

    2011-07-01

    Full Text Available Abstract Background Computational approaches to protein-protein docking typically include scoring aimed at improving the rank of the near-native structure relative to the false-positive matches. Knowledge-based potentials improve modeling of protein complexes by taking advantage of the rapidly increasing amount of experimentally derived information on protein-protein association. An essential element of knowledge-based potentials is defining the reference state for an optimal description of the residue-residue (or atom-atom pairs in the non-interaction state. Results The study presents a new Distance- and Environment-dependent, Coarse-grained, Knowledge-based (DECK potential for scoring of protein-protein docking predictions. Training sets of protein-protein matches were generated based on bound and unbound forms of proteins taken from the DOCKGROUND resource. Each residue was represented by a pseudo-atom in the geometric center of the side chain. To capture the long-range and the multi-body interactions, residues in different secondary structure elements at protein-protein interfaces were considered as different residue types. Five reference states for the potentials were defined and tested. The optimal reference state was selected and the cutoff effect on the distance-dependent potentials investigated. The potentials were validated on the docking decoys sets, showing better performance than the existing potentials used in scoring of protein-protein docking results. Conclusions A novel residue-based statistical potential for protein-protein docking was developed and validated on docking decoy sets. The results show that the scoring function DECK can successfully identify near-native protein-protein matches and thus is useful in protein docking. In addition to the practical application of the potentials, the study provides insights into the relative utility of the reference states, the scope of the distance dependence, and the coarse-graining of

  18. Seasonal cycle and temperature dependence of pinene oxidation products, dicarboxylic acids and nitrophenols in fine and coarse air particulate matter

    Science.gov (United States)

    Zhang, Y. Y.; Müller, L.; Winterhalter, R.; Moortgat, G. K.; Hoffmann, T.; Pöschl, U.

    2010-08-01

    Filter samples of fine and coarse air particulate matter (PM) collected over a period of one year in central Europe (Mainz, Germany) were analyzed for water-soluble organic compounds (WSOCs), including the α- and β-pinene oxidation products pinic acid, pinonic acid and 3-methyl-1,2,3-butanetricarboxylic acid (3-MBTCA), as well as a variety of dicarboxylic acids and nitrophenols. Seasonal variations and other characteristic features in fine, coarse, and total PM (TSP) are discussed with regard to aerosol sources and sinks in comparison to data from other studies and regions. The ratios of adipic acid and phthalic acid to azelaic acid indicate that the investigated aerosol samples were mainly influenced by biogenic sources. A strong Arrhenius-type correlation was found between the 3-MBTCA concentration and inverse temperature (R2 = 0.79, n = 52, Ea = 126 ± 10 kJ mol-1, temperature range 275-300 K). Model calculations suggest that the temperature dependence observed for 3-MBTCA can be explained by enhanced photochemical production due to an increase of hydroxyl radical (OH) concentration with increasing temperature, whereas the influence of gas-particle partitioning appears to play a minor role. The results indicate that the OH-initiated oxidation of pinonic acid is the rate-limiting step in the formation of 3-MBTCA, and that 3-MBTCA may be a suitable tracer for the chemical aging of biogenic secondary organic aerosol (SOA) by OH radicals. An Arrhenius-type temperature dependence was also observed for the concentration of pinic acid (R2 = 0.60, n = 56, Ea = 84 ± 9 kJ mol-1); it can be tentatively explained by the temperature dependence of biogenic pinene emission as the rate-limiting step of pinic acid formation.

  19. Effect of cooling rates on the weld heat affected zone coarse grain microstructure

    Directory of Open Access Journals (Sweden)

    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.

  20. A Coarse-to-Fine Approach to Computing the em>k>-best Viterbi Paths

    DEFF Research Database (Denmark)

    Nielsen, Jesper

    2011-01-01

    The Hidden Markov Model (HMM) is a probabilistic model used widely in the fields of Bioinformatics and Speech Recognition. Efficient algorithms for solving the most common problems are well known, yet they all have a running time that is quadratic in the number of hidden states, which can...... be problematic for models with very large state spaces. The Viterbi algorithm is used to find the maximum likelihood hidden state sequence, and it has earlier been shown that a coarse-to-fine modification can significantly speed up this algorithm on some models. We propose combining work on a k-best version...... of Viterbi algorithm with the coarse-to-fine framework. This algorithm may be used to approximate the total likelihood of the model, or to evaluate the goodness of the Viterbi path on very large models....

  1. Classical density functional theory & simulations on a coarse-grained model of aromatic ionic liquids.

    Science.gov (United States)

    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.

  2. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates

    Directory of Open Access Journals (Sweden)

    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. Pore-size distribution and compressibility of coarse sandy subsoil with added biochar

    DEFF Research Database (Denmark)

    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...

  4. Simulating Cellulose Structure, Properties, Thermodynamics, Synthesis, and Deconstruction with Atomistic and Coarse-Grain Models

    Energy Technology Data Exchange (ETDEWEB)

    Crowley, M. F.; Matthews, J.; Beckham, G.; Bomble, Y.; Hynninen, A. P.; Ciesielski, P. F.

    2012-01-01

    Cellulose is still a mysterious polymer in many ways: structure of microfibrils, thermodynamics of synthesis and degradation, and interactions with other plant cell wall components. Our aim is to uncover the details and mechanisms of cellulose digestion and synthesis. We report the details of the structure of cellulose 1-beta under several temperature conditions and report here the results of these studies and connections to experimental measurements and the measurement in-silico the free energy of decrystallization of several morphologies of cellulose. In spatially large modeling, we show the most recent work of mapping atomistic and coarse-grain models into tomographic images of cellulose and extreme coarse-grain modeling of interactions of large cellulase complexes with microfibrils. We discuss the difficulties of modeling cellulose and suggest future work both experimental and theoretical to increase our understanding of cellulose and our ability to use it as a raw material for fuels and materials.

  5. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates.

    Science.gov (United States)

    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.

  6. Lithologic data improve plant species distribution models based on coarse-grained occurrence data

    Energy Technology Data Exchange (ETDEWEB)

    Gaston, A.; Soriano, C.; Gomez-Miguel, V.

    2009-07-01

    The aim of this study was to assess the improvement of plant species distribution models based on coarse-grained occurrence data when adding lithologic data to climatic models. The distributions of 40 woody plant species from continental Spain were modelled. A logistic regression model with climatic predictors was fitted for each species and compared to a second model with climatic and lithologic predictors. Improvements on model likelihood and prediction accuracy on validation sub samples were assessed, as well as the effect of calcicole calcifuge habit on model improvement. Climatic models had reasonable mean prediction accuracy, but adding lithologic data improved model likelihood in most cases and increased mean prediction accuracy. Therefore, we recommend utilizing lithologic data for species distribution models based on coarse-grained occurrence data. Our data did not support the hypothesis that calcicole calcifuge habit may explain model improvement when adding lithologic data to climatic models, but further research is needed. (Author) 31 refs.

  7. Dynamic coarse-graining fills the gap between atomistic simulations and experimental investigations of mechanical unfolding

    Science.gov (United States)

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

    Directory of Open Access Journals (Sweden)

    Vlasak Pavel

    2017-06-01

    Full Text Available Narrow particle size distribution basalt pebbles of mean particle size 11.5 mm conveyed by water in the pipe sections of different inclination were investigated on an experimental pipe loop, consisting of smooth stainless steel pipes of inner diameter D = 100 mm. Mixture flow-behaviour and particles motion along the pipe invert were studied in a pipe viewing section, the concentration distribution in pipe cross-section was studied with the application of a gamma-ray densitometer. The study refers to the effect of mixture velocity, overall concentration, and angle of pipe inclination on chord-averaged concentration profiles and local concentration maps, and flow behaviour of the coarse particle-water mixtures. The study revealed that the coarse particle-water mixtures in the inclined pipe sections were significantly stratified, the solid particles moved principally close to the pipe invert, and for higher and moderate flow velocities particle saltation becomes the dominant mode of particle conveying.

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

    Directory of Open Access Journals (Sweden)

    Vlasák Pavel

    2014-09-01

    Full Text Available The effect of solid concentration and mixture velocity on the flow behaviour, pressure drops, and concentration distribution of coarse particle-water mixtures in horizontal, vertical, and inclined smooth stainless steel pipes of inner diameter D = 100 mm was experimentally investigated. Graded basalt pebbles were used as solid particles. The study revealed that the coarse-grained particle-water mixtures in the horizontal and inclined pipes were significantly stratified. The solid particles moved principally in a layer close to the pipe invert; however for higher and moderate flow velocities, particle saltation became the dominant mode of particle conveyance. Frictional pressure drops in the horizontal pipe were found to be markedly higher than in the vertical pipe, while the frictional pressure drops in the ascending pipe increased with inclination angle up to about 30°.

  10. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates

    Science.gov (United States)

    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

  11. Cost Effective Design of Sustainable Concrete Using Marble Waste as Coarse Aggregate

    Directory of Open Access Journals (Sweden)

    Sudarshan Dattatraya Kore

    2016-12-01

    Full Text Available In the present study attempts have been made to obtain sustainable and cost effective concrete product by use of marble waste. Aggregate obtained from marble quarry waste was used as 75% part of coarse aggregate and rest was conventional coarse aggregate. It was observed that, compressive strength was almost same as that of the control concrete. Durability properties like permeability and chloride ion penetration improved by approximately 30% and 15%, respectively. Resistance to acids and carbonation were least affected. Cost comparison showed with 24% less cement requirement, 14% reduction in cost of concrete was achieved when marble waste was used with packing density approach for design of concrete mixes. By minimizing the cement content without losing mechanical and durability properties of concrete resulting in reduction of global cement production from 4.2 billion tons to 1.01 billion tons and correspondingly it reduces CO2 emission from 3.95 billion tons by 3.02 billion tons.

  12. Remediating Contaminant Plumes in Groundwater with Shallow Excavations Containing Coarse Reactive Media.

    Science.gov (United States)

    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.

  13. Remediating Contaminant Plumes in Groundwater with Shallow Excavations Containing Coarse Reactive Media

    Science.gov (United States)

    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.

  14. Drainage equations and non-Darcian modelling in coarse porous media or geosynthetic materials

    Science.gov (United States)

    Bordier, C.; Zimmer, D.

    2000-03-01

    In coarse porous media, Darcy's law is not valid because of turbulence. Different alternative laws have been proposed like Forchheimer's or Izbash's law. In the present study, these two laws were experimentally investigated and have been shown to be equally suitable to describe the flow equation in different coarse materials, namely gravel materials and geosynthetic products. Izbash's law (v n=-λ ni) has been preferred to derive drainage equations because it is in continuity with Darcy's law and facilitates the development of an analytical solution. It has been introduced in Boussinesq's equation, which has been solved by a semi-analytical semi-numerical method. General equations for the drainage of coarse porous media have been derived and incorporated into the drainage model SIDRA, which predicts water-table elevations and drain flow rates for a given net recharge. This allows for comparison (i) between predicted Darcian and non-Darcian behaviours and (ii) between predicted drainage functionings of different coarse materials. Water-table elevations are shown to be much more sensitive to non-Darcian flow equation and to the hydraulic properties of the materials than drain flow rates. Response surface maps of an objective function based on the Nash criterion show that the water-table predictions are almost not sensitive to drainable porosity values. They also indicate that the two parameters of the Izbash flow equation ( λ and n) are dependent for water-table prediction. Based on this result a method is proposed to determine hydraulic properties and drainage systems yielding similar water-table elevations. The results can help choosing between classical granular materials and geocomposite products in drainage systems such as leachate collection systems of landfills.

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

    International Nuclear Information System (INIS)

    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.)

  16. Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models

    Directory of Open Access Journals (Sweden)

    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

  17. Determination of residual stress within complex-shaped coarse-grained cobalt-chrome biomedical castings

    OpenAIRE

    Conroy, Brian P; Tanner, David A

    2016-01-01

    peer-reviewed ASTM F75 femoral knee implant casting components distort during manufacture due to residual stress re-distribution or inducement. These castings pose a number of challenges for residual stress determination methods; they have a complex geometry, their micro-structure is inhomogeneous, they work-harden rapidly and they have a coarse, elastically-anisotropic grain structure. The contour method is anticipated to be the most promising residual stress determination technique. X-ra...

  18. Optimal Parameter Design of Coarse Alignment for Fiber Optic Gyro Inertial Navigation System

    OpenAIRE

    Lu, Baofeng; Wang, Qiuying; Yu, Chunmei; Gao, Wei

    2015-01-01

    Two different coarse alignment algorithms for Fiber Optic Gyro (FOG) Inertial Navigation System (INS) based on inertial reference frame are discussed in this paper. Both of them are based on gravity vector integration, therefore, the performance of these algorithms is determined by integration time. In previous works, integration time is selected by experience. In order to give a criterion for the selection process, and make the selection of the integration time more accurate, optimal parame...

  19. Abrasion and algal fouling of coarse material on the Murman littoral

    Directory of Open Access Journals (Sweden)

    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

  20. Measurement of coarse gravel and cobble transport using portable bedload traps

    Science.gov (United States)

    Kristin Bunte; Steven R. Abt; John P. Potyondy; Sandra E. Ryan

    2004-01-01

    Portable bedload traps (0.3 by 0.2 m opening) were developed for sampling coarse bedload transport in mountain gravel-bed rivers during wadable high flows. The 0.9 m long trailing net can capture about 20 kg of gravel and cobbles. Traps are positioned on ground plates anchored in the streambed to minimize disturbance of the streambed during sampling. This design...

  1. Comparison of coarse coal dust sampling techniques in a laboratory-simulated longwall section.

    Science.gov (United States)

    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

  2. Evaluation of coarse scale land surface remote sensing albedo product over rugged terrain

    Science.gov (United States)

    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.

  3. Coarse-grained simulation of a real-time process control network under peak load

    International Nuclear Information System (INIS)

    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

  4. Rapid Functional Modelling and Simulation of Coarse Grained Reconfigurable Array Architectures

    OpenAIRE

    Patel, Kunjan; McGettrick, Séamas; Bleakley, Chris J.

    2011-01-01

    Increases in the complexity of Coarse Grained Reconfigurable Array (CGRA) architectures have made implementation of new architectures difficult and time consuming. Due to the large number of design options available, it is difficult for designers to make optimal design decisions in the early stages of the design cycle. This paper proposes a novel functional modelling framework for CGRA architectures which makes the design space exploration process easier and faster. The framework allows archi...

  5. A coarse grained description of time evolution: Irreversible state reduction and time-energy relation

    International Nuclear Information System (INIS)

    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)

  6. Cultivos de cobertura: efectos sobre la macroporosidad y la estabilidad estructural de un suelo franco-limoso Cover crops: effects on soil macroporosity and soil structural stability in a silt loam soil

    Directory of Open Access Journals (Sweden)

    María Florencia Varela

    2011-07-01

    Full Text Available Los suelos franco-limosos manejados con siembra directa a menudo poseen porosidad estructural baja e inestable. Con el objetivo de determinar la capacidad de los cultivos de cobertura (CC de mejorar la porosidad y estabilidad estructural de estos suelos se llevaron a cabo experimentos de campo y de invernáculo. Ambos tuvieron tratamientos con y sin CC (avena, Avena sativa L., en rotación con soja (Glicine max L. Merr.. Luego de los CC se midieron densidad aparente (DA, el índice de inestabilidad estructural (IE y en el ensayo de invernáculo además, se midió la evolución de la distribución de tamaño de poros (DTP. En ambos ensayos la introducción de CC no disminuyó la DA, aunque incrementó la estabilidad del suelo (PNo- till (NT silt loam topsoils have often a low and unstable structural porosity. The objective of this study was to determine the capability of cover crops (CC of improving the structural porosity and stability of silt loam soils under NT. Greenhouse and field experiments were carried out on a silt loam soil (Typic Argiudoll with and without CC (oat, Avena sativa L. in crop sequences with soybean (Glicine max L. Merr.. Soil bulk density (DA and aggregate instability index (IE were measured after the CC in both experiments. In the greenhouse experiment, soil pore size distribution (DTP was measured. The use of CC did not change DA, but soil IE was significantly lower in crop sequences with CC (P < 0.05 both under field and greenhouse conditions. Stability increases were likely due to the effect of CC residues and root mass. No differences in DTP were found between treatments, although a significant effect of sampling date was observed (P<0.05. Changes in DTP were due to significant increases in mesopore (517.5% and macropore (52.7% volumes. Such changes occurred in all the treatments, probably due to the soil wetting-drying cycles. The results found in this study agree with other studies carried out on silt loams in the

  7. Bridging between NMA and Elastic Network Models: Preserving All-Atom Accuracy in Coarse-Grained Models.

    Directory of Open Access Journals (Sweden)

    Hyuntae Na

    2015-10-01

    Full Text Available Dynamics can provide deep insights into the functional mechanisms of proteins and protein complexes. For large protein complexes such as GroEL/GroES with more than 8,000 residues, obtaining a fine-grained all-atom description of its normal mode motions can be computationally prohibitive and is often unnecessary. For this reason, coarse-grained models have been used successfully. However, most existing coarse-grained models use extremely simple potentials to represent the interactions within the coarse-grained structures and as a result, the dynamics obtained for the coarse-grained structures may not always be fully realistic. There is a gap between the quality of the dynamics of the coarse-grained structures given by all-atom models and that by coarse-grained models. In this work, we resolve an important question in protein dynamics computations--how can we efficiently construct coarse-grained models whose description of the dynamics of the coarse-grained structures remains as accurate as that given by all-atom models? Our method takes advantage of the sparseness of the Hessian matrix and achieves a high efficiency with a novel iterative matrix projection approach. The result is highly significant since it can provide descriptions of normal mode motions at an all-atom level of accuracy even for the largest biomolecular complexes. The application of our method to GroEL/GroES offers new insights into the mechanism of this biologically important chaperonin, such as that the conformational transitions of this protein complex in its functional cycle are even more strongly connected to the first few lowest frequency modes than with other coarse-grained models.

  8. Kelp, cobbles, and currents: Biologic reduction of coarse grain entrainment stress

    Science.gov (United States)

    Masteller, Claire C; Finnegan, Noah J; Warrick, Jonathan; Miller, Ian M.

    2015-01-01

    Models quantifying the onset of sediment motion do not typically account for the effect of biotic processes because they are difficult to isolate and quantify in relation to physical processes. Here we investigate an example of the interaction of kelp (Order Laminariales) and coarse sediment transport in the coastal zone, where it is possible to directly quantify and test its effect. Kelp is ubiquitous along rocky coastlines and the impact on ecosystems has been well studied. We develop a physical model to explore the reduction in critical shear stress of large cobbles colonized by Nereocystis luetkeana, or bull kelp. Observations of coarse sediment motion at a site in the Strait of Juan de Fuca (northwest United States–Canada boundary channel) confirm the model prediction and show that kelp reduces the critical stress required for transport of a given grain size by as much as 92%, enabling annual coarse sediment transport rates comparable to those of fluvial systems. We demonstrate that biology is fundamental to the physical processes that shape the coastal zone in this setting.

  9. A coarse-to-fine approach to prostate boundary segmentation in ultrasound images

    Science.gov (United States)

    Sahba, Farhang; Tizhoosh, Hamid R; Salama, Magdy M

    2005-01-01

    Background In this paper a novel method for prostate segmentation in transrectal ultrasound images is presented. Methods A segmentation procedure consisting of four main stages is proposed. In the first stage, a locally adaptive contrast enhancement method is used to generate a well-contrasted image. In the second stage, this enhanced image is thresholded to extract an area containing the prostate (or large portions of it). Morphological operators are then applied to obtain a point inside of this area. Afterwards, a Kalman estimator is employed to distinguish the boundary from irrelevant parts (usually caused by shadow) and generate a coarsely segmented version of the prostate. In the third stage, dilation and erosion operators are applied to extract outer and inner boundaries from the coarsely estimated version. Consequently, fuzzy membership functions describing regional and gray-level information are employed to selectively enhance the contrast within the prostate region. In the last stage, the prostate boundary is extracted using strong edges obtained from selectively enhanced image and information from the vicinity of the coarse estimation. Results A total average similarity of 98.76%(± 0.68) with gold standards was achieved. Conclusion The proposed approach represents a robust and accurate approach to prostate segmentation. PMID:16219098

  10. Shape tracking with occlusions via coarse-to-fine region-based sobolev descent

    KAUST Repository

    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.

  11. A coarse-to-fine approach to prostate boundary segmentation in ultrasound images

    Directory of Open Access Journals (Sweden)

    Tizhoosh Hamid R

    2005-10-01

    Full Text Available Abstract Background In this paper a novel method for prostate segmentation in transrectal ultrasound images is presented. Methods A segmentation procedure consisting of four main stages is proposed. In the first stage, a locally adaptive contrast enhancement method is used to generate a well-contrasted image. In the second stage, this enhanced image is thresholded to extract an area containing the prostate (or large portions of it. Morphological operators are then applied to obtain a point inside of this area. Afterwards, a Kalman estimator is employed to distinguish the boundary from irrelevant parts (usually caused by shadow and generate a coarsely segmented version of the prostate. In the third stage, dilation and erosion operators are applied to extract outer and inner boundaries from the coarsely estimated version. Consequently, fuzzy membership functions describing regional and gray-level information are employed to selectively enhance the contrast within the prostate region. In the last stage, the prostate boundary is extracted using strong edges obtained from selectively enhanced image and information from the vicinity of the coarse estimation. Results A total average similarity of 98.76%(± 0.68 with gold standards was achieved. Conclusion The proposed approach represents a robust and accurate approach to prostate segmentation.

  12. Cyclic Behavior of Low Rise Concrete Shear Walls Containing Recycled Coarse and Fine Aggregates

    Directory of Open Access Journals (Sweden)

    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.

  13. Comparison of coarse mesh gauze with biologic dressings on granulating wounds.

    Science.gov (United States)

    Levine, N S; Lindberg, R A; Salisbury, R E; Mason, A D; Pruitt, B A

    1976-06-01

    Twenty patients with large area granulating wounds were selected for the study. On each patient, a small area of uniform appearance was divided into four subareas, and each subarea was randomly assigned treatment with a single 24 hour application of cadaver allograft, fresh porcine xenograft, formalinized xenograft, or "wet-to-dry" applications of coarse mesh gauze changed three times daily. At 24 hours, all four areas were uncovered. The subareas were ranked in terms of appearance on a best, second best, third best, and worst scale by experienced paramedical personnel who were not told which area received which treatment. Contact sponge quantitative microbiology was performed on each subarea before and after treatment on seventeen of the twenty patients. The results of these rankings suggest that coarse mesh gauze, changed three times daily, was significantly better at improving wound appearance than any of the biologic dressings. Among the biologic dressings, formalinized xenograft was significantly the worst. There was no significant difference between cadaver allograft and porcine xenograft. Analysis of quantitative cultures was limited by the problems of applying statistical methods to series of paired cultures in which initial values are quite different. Within the framework of such limitations and our 24 hour study, there was not significant change in surface colonization when either coarse mesh gauze or biologic dressings were used.

  14. Generalized Coarse-Mesh Rebalance Method for Acceleration of Neutron Transport Calculations

    International Nuclear Information System (INIS)

    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

  15. REACH Coarse-Grained Biomolecular Simulation: Transferability between Different Protein Structural Classes

    Energy Technology Data Exchange (ETDEWEB)

    Moritsugu, K [University of Heidelberg; Smith, Jeremy C [ORNL

    2008-08-01

    Coarse graining of protein interactions provides a means of simulating large biological systems. The REACH (Realistic Extension Algorithm via Covariance Hessian) coarse-graining method, in which the force constants of a residue-scale elastic network model are calculated from the variance-covariance matrix obtained from atomistic molecular dynamics (MD) simulation, involves direct mapping between scales without the need for iterative optimization. Here, the transferability of the REACH force field is examined between protein molecules of different structural classes. As test cases, myoglobin (all {alpha}), plastocyanin (all {beta}), and dihydrofolate reductase ({alpha}/{beta}) are taken. The force constants derived are found to be closely similar in all three proteins. An MD version of REACH is presented, and low-temperature coarse-grained (CG) REACH MD simulations of the three proteins are compared with atomistic MD results. The mean-square fluctuations of the atomistic MD are well reproduced by the CGMD. Model functions for the CG interactions, derived by averaging over the three proteins, are also shown to produce fluctuations in good agreement with the atomistic MD. The results indicate that, similarly to the use of atomistic force fields, it is now possible to use a single, generic REACH force field for all protein studies, without having first to derive parameters from atomistic MD simulation for each individual system studied. The REACH method is thus likely to be a reliable way of determining spatiotemporal motion of a variety of proteins without the need for expensive computation of long atomistic MD simulations.

  16. Coarse-Grained Biomolecular Simulation: Transferability between Different Protein Structural Classes

    Energy Technology Data Exchange (ETDEWEB)

    Moritsugu, K [University of Heidelberg; Smith, Jeremy C [ORNL

    2008-05-01

    Coarse graining of protein interactions provides a means of simulating large biological systems. The REACH (Realistic Extension Algorithm via Covariance Hessian) coarse-graining method, in which the force constants of a residue-scale elastic network model are calculated from the variance-covariance matrix obtained from atomistic molecular dynamics (MD) simulation, involves direct mapping between scales without the need for iterative optimization. Here, the transferability of the REACH force field is examined between protein molecules of different structural classes. As test cases, myoglobin (all {alpha}), plastocyanin (all {beta}), and dihydrofolate reductase ({alpha}/{beta}) are taken. The force constants derived are found to be closely similar in all three proteins. An MD version of REACH is presented, and low-temperature coarse-grained (CG) REACH MD simulations of the three proteins are compared with atomistic MD results. The mean-square fluctuations of the atomistic MD are well reproduced by the CGMD. Model functions for the CG interactions, derived by averaging over the three proteins, are also shown to produce fluctuations in good agreement with the atomistic MD. The results indicate that, similarly to the use of atomistic force fields, it is now possible to use a single, generic REACH force field for all protein studies, without having first to derive parameters from atomistic MD simulation for each individual system studied. The REACH method is thus likely to be a reliable way of determining spatiotemporal motion of a variety of proteins without the need for expensive computation of long atomistic MD simulations.

  17. Influence of coarse aggregate on shear resistance of self-consolidating concrete beams

    Directory of Open Access Journals (Sweden)

    G. SAVARIS

    Full Text Available Abstract Self-consolidating concrete is characterized by its high flowability, which can be achieved with the addition of superplasticizer and the reduction of the amount and size of coarse aggregates in the concrete mix. This high flowability allows the concrete to properly fill the formwork without any mechanical vibration. The reduction in volume and particle size of the coarse aggregates may result in lower shear strength of beams due to a reduced aggregate interlock. Therefore, an experimental investigation was conducted to evaluate the influence of the reduction in the volume fraction and the nominal size of coarse aggregate on concrete shear strength of self-consolidating beams. Six concrete mixes were produced, four self-consolidating and two conventionally vibrated. A total of 18 beams, with flexural reinforcement but without shear reinforcement were cast. These beams were tested under a four-point loading condition. Their failure modes, cracking patterns and shear resistances were evaluated. The obtained shear resistances were compared to the theoretical values given by the ACI-318 and EC-2 codes. The results demonstrated a lower shear resistance of self-consolidating concrete beams, caused mainly due to the reduced aggregate size.

  18. Optimal Parameter Design of Coarse Alignment for Fiber Optic Gyro Inertial Navigation System.

    Science.gov (United States)

    Lu, Baofeng; Wang, Qiuying; Yu, Chunmei; Gao, Wei

    2015-06-25

    Two different coarse alignment algorithms for Fiber Optic Gyro (FOG) Inertial Navigation System (INS) based on inertial reference frame are discussed in this paper. Both of them are based on gravity vector integration, therefore, the performance of these algorithms is determined by integration time. In previous works, integration time is selected by experience. In order to give a criterion for the selection process, and make the selection of the integration time more accurate, optimal parameter design of these algorithms for FOG INS is performed in this paper. The design process is accomplished based on the analysis of the error characteristics of these two coarse alignment algorithms. Moreover, this analysis and optimal parameter design allow us to make an adequate selection of the most accurate algorithm for FOG INS according to the actual operational conditions. The analysis and simulation results show that the parameter provided by this work is the optimal value, and indicate that in different operational conditions, the coarse alignment algorithms adopted for FOG INS are different in order to achieve better performance. Lastly, the experiment results validate the effectiveness of the proposed algorithm.

  19. Optimal Parameter Design of Coarse Alignment for Fiber Optic Gyro Inertial Navigation System

    Directory of Open Access Journals (Sweden)

    Baofeng Lu

    2015-06-01

    Full Text Available Two different coarse alignment algorithms for Fiber Optic Gyro (FOG Inertial Navigation System (INS based on inertial reference frame are discussed in this paper. Both of them are based on gravity vector integration, therefore, the performance of these algorithms is determined by integration time. In previous works, integration time is selected by experience. In order to give a criterion for the selection process, and make the selection of the integration time more accurate, optimal parameter design of these algorithms for FOG INS is performed in this paper. The design process is accomplished based on the analysis of the error characteristics of these two coarse alignment algorithms. Moreover, this analysis and optimal parameter design allow us to make an adequate selection of the most accurate algorithm for FOG INS according to the actual operational conditions. The analysis and simulation results show that the parameter provided by this work is the optimal value, and indicate that in different operational conditions, the coarse alignment algorithms adopted for FOG INS are different in order to achieve better performance. Lastly, the experiment results validate the effectiveness of the proposed algorithm.

  20. Model reduction for agent-based social simulation: Coarse-graining a civil violence model

    Science.gov (United States)

    Zou, Yu; Fonoberov, Vladimir A.; Fonoberova, Maria; Mezic, Igor; Kevrekidis, Ioannis G.

    2012-06-01

    Agent-based modeling (ABM) constitutes a powerful computational tool for the exploration of phenomena involving emergent dynamic behavior in the social sciences. This paper demonstrates a computer-assisted approach that bridges the significant gap between the single-agent microscopic level and the macroscopic (coarse-grained population) level, where fundamental questions must be rationally answered and policies guiding the emergent dynamics devised. Our approach will be illustrated through an agent-based model of civil violence. This spatiotemporally varying ABM incorporates interactions between a heterogeneous population of citizens [active (insurgent), inactive, or jailed] and a population of police officers. Detailed simulations exhibit an equilibrium punctuated by periods of social upheavals. We show how to effectively reduce the agent-based dynamics to a stochastic model with only two coarse-grained degrees of freedom: the number of jailed citizens and the number of active ones. The coarse-grained model captures the ABM dynamics while drastically reducing the computation time (by a factor of approximately 20).

  1. Effects of Oil Palm Shell Coarse Aggregate Species on High Strength Lightweight Concrete

    Directory of Open Access Journals (Sweden)

    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.

  2. Effects of oil palm shell coarse aggregate species on high strength lightweight concrete.

    Science.gov (United States)

    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.

  3. Quick evaluation of multiple geostatistical models using upscaling with coarse grids: A practical study

    Energy Technology Data Exchange (ETDEWEB)

    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.

  4. Coarse-to-fine deep neural network for fast pedestrian detection

    Science.gov (United States)

    Li, Yaobin; Yang, Xinmei; Cao, Lijun

    2017-11-01

    Pedestrian detection belongs to a category of object detection is a key issue in the field of video surveillance and automatic driving. Although recent object detection methods, such as Fast/Faster RCNN, have achieved excellent performance, it is difficult to meet real-time requirements and limits the application in real scenarios. A coarse-to-fine deep neural network for fast pedestrian detection is proposed in this paper. Two-stage approach is presented to realize fine trade-off between accuracy and speed. In the coarse stage, we train a fast deep convolution neural network to generate most pedestrian candidates at the cost of a number of false positives. The detector can cover the majority of scales, sizes, and occlusions of pedestrians. After that, a classification network is introduced to refine the pedestrian candidates generated from the previous stage. Refining through classification network, most of false detections will be excluded easily and the final pedestrian predictions with bounding box and confidence score are produced. Competitive results have been achieved on INRIA dataset in terms of accuracy, especially the method can achieve real-time detection that is faster than the previous leading methods. The effectiveness of coarse-to-fine approach to detect pedestrians is verified, and the accuracy and stability are also improved.

  5. Multiscale simulation of thin-film lubrication: free-energy-corrected coarse graining.

    Science.gov (United States)

    Wu, Z-B; Zeng, X C

    2014-09-01

    The quasicontinuum method was previously extended to the nonzero temperature conditions by implementing a free-energy correction on non-nodal atoms in coarse-grained solid systems to avoid the dynamical constraint, [Diestler, Wu, and Zeng, J. Chem. Phys. 121, 9279 (2004)]. In this paper, we combine the extended quasicontinuum method and an atomistic simulation to treat the monolayer film lubrication with elastic (nonrigid) substrates. It is shown that the multiscale method with the coarse-graining local elements in the merging regions between the atomistic and continuous descriptions of the substrates can reasonably predict the shear stress profile, the mean separation curve, and the transverse stress profile in the fully atomistic simulation for the tribological system. Moreover, when the nonlocal elements are placed in the merging regions, the inhomogeneous solid atoms in the near regions covered by the cut-off circles of the nonlocal elements replace the homogeneous ones at the equilibrium configuration for the free-energy correction on the non-nodal atoms. The treatment can cause an unphysical sliding between the near and far regions of the upper substrate. It is shown that if the free-energy correction on the non-nodal atoms in the coarse-grained merging regions is removed, the multiscale method can still well reproduce the shear stress profile, the mean separation curve, and the transverse stress profile obtained from the fully atomistic simulation for the system.

  6. Controlling the coarse droplets streams by blade profile shape modification in the last stages of steam turbines

    Science.gov (United States)

    Tishchenko, V.; Alekseev, R.; Gavrilov, I.; Gribin, V.; Tishchenko, A.

    2017-09-01

    This work is devoted to investigation of wet steam flow in steam turbines blade passages. The methodology of flow laser diagnostic system application in order to study the trajectories and parameters distributions of coarse droplets in wet steam flow is presented. Obtained data was used to fit mathematical model of coarse droplets generation (as a result of droplet interaction with the blade surfaces) to experimental results. The calculation performed with this model allowed to optimize the shape of stator blade profile in order to control the streams of coarse droplets and minimize their diameters downstream the cascade.

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

    International Nuclear Information System (INIS)

    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

  8. The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems

    International Nuclear Information System (INIS)

    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

  9. The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems

    Energy Technology Data Exchange (ETDEWEB)

    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.

  10. The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems.

    Science.gov (United States)

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

    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.

  11. Growth of legume and nonlegume catch crops and residual-N effects in spring barley on coarse sand

    DEFF Research Database (Denmark)

    Askegaard, Margrethe; Eriksen, Jørgen

    2007-01-01

    Askegaard, M. and Eriksen, E. 2007. Growth of legume and nonlegume catch crops and residual-N effects in spring barley on coarse sand. J. Plant Nutrition and Soil Science, 170, 733-780.......Askegaard, M. and Eriksen, E. 2007. Growth of legume and nonlegume catch crops and residual-N effects in spring barley on coarse sand. J. Plant Nutrition and Soil Science, 170, 733-780....

  12. Climatic regions as an indicator of forest coarse and fine woody debris carbon stocks in the United States

    Directory of Open Access Journals (Sweden)

    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.

  13. Knowledge-based instantiation of full atomic detail into coarse-grain RNA 3D structural models.

    Science.gov (United States)

    Jonikas, Magdalena A; Radmer, Randall J; Altman, Russ B

    2009-12-15

    The recent development of methods for modeling RNA 3D structures using coarse-grain approaches creates a need to bridge low- and high-resolution modeling methods. Although they contain topological information, coarse-grain models lack atomic detail, which limits their utility for some applications. We have developed a method for adding full atomic detail to coarse-grain models of RNA 3D structures. Our method [Coarse to Atomic (C2A)] uses geometries observed in known RNA crystal structures. Our method rebuilds full atomic detail from ideal coarse-grain backbones taken from crystal structures to within 1.87-3.31 A RMSD of the full atomic crystal structure. When starting from coarse-grain models generated by the modeling tool NAST, our method builds full atomic structures that are within 1.00 A RMSD of the starting structure. The resulting full atomic structures can be used as starting points for higher resolution modeling, thus bridging high- and low-resolution approaches to modeling RNA 3D structure. Code for the C2A method, as well as the examples discussed in this article, are freely available at www.simtk.org/home/c2a. russ.altman@stanford.edu

  14. Amphibian and reptile community response to coarse woody debris manipulations in upland loblolly pine (Pinus taeda) forests.

    Energy Technology Data Exchange (ETDEWEB)

    Owens, Audrey, K.; Moseley, Kurtis, R.; McCay, Timothy, S.; Castleberry, Steven, B .; Kilgo, John, C.; Ford, W., Mark

    2008-07-01

    Coarse woody debris (CWD) has been identified as a key microhabitat component for groups that are moisture and temperature sensitive such as amphibians and reptiles. However, few experimental manipulations have quantitatively assessed amphibian and reptile response to varying CWD volumes within forested environments. We assessed amphibian and reptile response to large-scale, CWD manipulation within managed loblolly pine stands in the southeastern Coastal Plain of the United States from 1998 to 2005. Our study consisted of two treatment phases: Phase I treatments included downed CWD removal (removal of all downed CWD), all CWD removal (removal of all downed and standing CWD), pre-treatment snag, and control; Phase II treatments included downed CWD addition (downed CWD volume increased 5-fold), snag addition (standing CWD volume increased 10-fold), all CWD removal (all CWD removed), and control. Amphibian and anuran capture rates were greater in control than all CWD removal plots during study Phase I. In Phase II, reptile diversity and richness were greater in downed CWD addition and all CWD removal than snag addition treatments. Capture rate of Rana sphenocephala was greater in all CWD removal treatment than downed CWD addition treatment. The dominant amphibian and snake species captured are adapted to burrowing in sandy soil or taking refuge under leaf litter. Amphibian and reptile species endemic to upland southeastern Coastal Plain pine forests may not have evolved to rely on CWD because the humid climate and short fire return interval have resulted in historically low volumes of CWD.

  15. Hysteresis of liquid adsorption in porous media by coarse-grained Monte Carlo with direct experimental validation

    Science.gov (United States)

    Zeidman, Benjamin D.; Lu, Ning; Wu, David T.

    2016-05-01

    The effects of path-dependent wetting and drying manifest themselves in many types of physical systems, including nanomaterials, biological systems, and porous media such as soil. It is desirable to better understand how these hysteretic macroscopic properties result from a complex interplay between gasses, liquids, and solids at the pore scale. Coarse-Grained Monte Carlo (CGMC) is an appealing approach to model these phenomena in complex pore spaces, including ones determined experimentally. We present two-dimensional CGMC simulations of wetting and drying in two systems with pore spaces determined by sections from micro X-ray computed tomography: a system of randomly distributed spheres and a system of Ottawa sand. Results for the phase distribution, water uptake, and matric suction when corrected for extending to three dimensions show excellent agreement with experimental measurements on the same systems. This supports the hypothesis that CGMC can generate metastable configurations representative of experimental hysteresis and can also be used to predict hysteretic constitutive properties of particular experimental systems, given pore space images.

  16. Folding 19 proteins to their native state and stability of large proteins from a coarse-grained model.

    Science.gov (United States)

    Kapoor, Abhijeet; Travesset, Alex

    2014-03-01

    We develop an intermediate resolution model, where the backbone is modeled with atomic resolution but the side chain with a single bead, by extending our previous model (Proteins (2013) DOI: 10.1002/prot.24269) to properly include proline, preproline residues and backbone rigidity. Starting from random configurations, the model properly folds 19 proteins (including a mutant 2A3D sequence) into native states containing β sheet, α helix, and mixed α/β. As a further test, the stability of H-RAS (a 169 residue protein, critical in many signaling pathways) is investigated: The protein is stable, with excellent agreement with experimental B-factors. Despite that proteins containing only α helices fold to their native state at lower backbone rigidity, and other limitations, which we discuss thoroughly, the model provides a reliable description of the dynamics as compared with all atom simulations, but does not constrain secondary structures as it is typically the case in more coarse-grained models. Further implications are described. Copyright © 2013 Wiley Periodicals, Inc.

  17. Embrittlement of Intercritically Reheated Coarse Grain Heat-Affected Zone of ASTM4130 Steel

    Science.gov (United States)

    Li, Liying; Han, Tao; Han, Bin

    2018-04-01

    In this investigation, a thermal welding simulation technique was used to investigate the microstructures and mechanical properties of the intercritically reheated coarse grain heat-affected zone (IR CGHAZ) of ASTM4130 steel. The effect of post weld heat treatment (PWHT) on the toughness of IR CGHAZ was also analyzed. The toughness of IR CGHAZ was measured by means of Charpy impact, and it is found that IR CGHAZ has the lowest toughness which is much lower than that of the base metal regardless of whether PWHT is applied or not. The as-welded IR CGHAZ is mainly composed of ferrite, martensite, and many blocky M-A constituents distributing along grain boundaries and subgrain boundaries in a near-connected network. Also, the prior austenite grains are still as coarse as those in the coarse grain heat-affected zone (CGHAZ). The presence of the blocky M-A constituents and the coarsened austenite grains result in the toughness deterioration of the as-welded IR CGHAZ. Most of the blocky M-A constituents are decomposed to granular bainite due to the effect of the PWHT. However, PWHT cannot refine the prior austenite grains. Thus, the low toughness of IR CGHAZ after PWHT can be attributed to two factors, i.e., the coarsened austenite grains, and the presence of the remaining M-A constituents and granular bainite, which are located at grain boundaries and subgrain boundaries in a near-connected network. The absorbed energy of the IR CGHAZ was increased by about 3.75 times, which means that the PWHT can effectively improve the toughness but it cannot be recovered to the level of base metal.

  18. A Coarse-Grained Two-Fluid Model for Gas-Solid Fluidized Beds

    Directory of Open Access Journals (Sweden)

    S. Schneiderbauer

    2014-03-01

    Full Text Available Due to increasing computer power the numerical simulation of fluidized and moving beds has become feasible. However, while kinetic theory based CFD (Computational Fluid Dynamics has become a valuable design tool for modeling pilot plant scale gassolid fluidized bed reactors, a fully resolved simulation of industrial scale reactor is still nearly unfeasible. It is, therefore, common to use sub-grid models to account for the effect of the small unresolved structures on large resolved scales when using coarse grids. It is generally agreed that the influence of these small scales on the drag force is a key parameter in the prediction of the hydrodynamics of fluidized beds. We present a sub-grid drag modification dealing with the influence of heterogeneous structures on the drag force. It is assumed that these structures appear as distinct clusters of particles within an interstitial dilute particle phase. The clusters and the dilute phase itself consist of homogeneously distributed particles enabling the application of a homogenous drag correlation to these structures. In contrast to the established sub-grid drag modification EMMS (Energy-Minimization Multi-Scale Method, the presented model distinguishes between resolved and unresolved clusters by computing the expectation value of the diameter of the unresolved clusters. This reveals a grid and slip velocity dependent drag modification, which recovers the homogenous drag law as the solids volume fraction approaches the maximum packing of frictional spheres. The presented model is validated on the one hand, in case of industrial scale bubbling and turbulent fluidized beds. On the other hand, the model is applied to the coarse grid simulation of a riser flow. The numerical results obtained on a coarse gird demonstrate that our model reveals fairly good agreement with experimental data of bed expansion and solids volume fraction distributions. Thus, the results proof that the presented drag

  19. Hydrodynamic studies of the flow of fine particles through a fluidized dense bed of coarse solids

    Energy Technology Data Exchange (ETDEWEB)

    Talukdar, J.

    1993-12-31

    This study explains the hydrodynamics of a circulating fluidized bed (CFB) system, the Battelle Multi-Solids Fluidized Bed System (MSFB). It consists of a circulating fluidized bed of fine particles superimposed on a bubbling bed of coarse solids. One way to characterize such a system is to describe the mechanism of gas-solid flow through the bed. The gas flow in systems like these is through bubbles or slugs (regions of voids containing little or no solids). Bubbles are typically characterized by their size (length or diameter), their rise velocity, and their frequency. Another task of the initial phase of this study is to characterize an L-valve, a solids-recirculating device commonly used in an MSFB. Next, the mechanism of fine particle movement through a bubbling region of coarse fluidized solids is studied in considerable detail. Bubble characteristics are studied in a variety of systems of coarse particles with fines passing through at high velocity. Amongst numerous optical, electrical and other techniques available for the study of the passage of bubbles, the pressure fluctuation technique is the most robust. In this investigation, pressure probes are connected to pressure transducers which are in turn linked to an on-line data acquisition system supported on a microcomputer. A commercially available software package (Notebook) is used to sample pressure at specified points in the fluidized bed at extremely fast rates, of up to 200 Hz. This resulted in pressure-time traces which are analysed to give bubble length, bubble rise velocity, and bubble frequency. Another important objective of this study is to estimate the fine particle residence time in the dense bed section. A defluidization technique is utilized in experimentally measuring the solids holdup in the dense bed. A mathematical model is developed from first principles, based on a momentum balance on the fine particles.

  20. Spatial and temporal patterns of beetles associated with coarse woody debris in managed bottomland hardwood forests.

    Energy Technology Data Exchange (ETDEWEB)

    Ulyshen, M., D.; Hanula, J., L.; Horn, S.; Kilgo, J., C.; Moorman, C., E.

    2004-05-13

    For. Ecol. and Mgt. 199:259-272. Malaise traps were used to sample beetles in artificial canopy gaps of different size (0.13 ha, 0.26 ha, and0.50 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 (ý 1 year) had large amounts of coarse woody debris compared to the surrounding forest, while older gaps (ý 6 years) had virtually none. The total abundance and diversity of wood-dwelling beetles (Buprestidae, Cerambycidae, Brentidae, Bostrichidae, and Curculionidae (Scolytinae and Platypodinae)) was higher in the center of young gaps than in the center of old gaps. The abundance was higher in the center of young gaps than in the surrounding forest, while the forest surrounding old gaps and the edge of old gaps had a higher abundance and diversity of wood-dwelling beetles than did the center of old gaps. There was no difference in wood-dwelling beetle abundance between gaps of different size, but diversity was lower in 0.13 ha old gaps than in 0.26 ha or 0.50 ha old gaps. We suspect that gap size has more of an effect on woodborer abundance than indicated here because malaise traps sample a limited area. The predaceous beetle family Cleridae showed a very similar trend to that of the woodborers. Coarse woody debris is an important resource for many organisms, and our results lend further support to forest management practices that preserve coarse woody debris created during timber removal.

  1. Fundamental Pair Interactions and Applications for Colloidal Silica Particles by Coarse-Grained Simulations

    International Nuclear Information System (INIS)

    Lee, Cheng K.; Hua, Chi C.

    2008-01-01

    In the first part of this presentation, we introduce how the fundamental pair interactions for colloidal silica particles may be constracted from a self-consistent mapping procedure and coarse-grained simulation without introducing adjustable parameters. Force fields for silica particles with diameter ranging from 1 nm to 100 nm are reported and tabulated in a simple analytical form. In the second part, we describe how the previously obtained force fields may be utilized for modeling rod-like colloidal systems. Focus is on exploring the effects of force field and particulate aspect ratio on the thermodynamic and rheological properties

  2. An Apparatus for Bed Material Sediment Extraction From Coarse River Beds in Large Alluvial Rivers

    Science.gov (United States)

    Singer, M. B.; Adam, H.; Cooper, J.; Cepello, S.

    2005-12-01

    Grain size distributions of bed material sediment in large alluvial rivers are required in applications ranging from habitat mapping, calibration of sediment transport models, high resolution sediment routing, and testing of existing theories of longitudinal and cross steam sediment sorting. However, characterizing bed material sediment from coarse river beds is hampered by difficulties in sediment extraction, a challenge that is generally circumvented via pebble counts on point bars, even though it is unclear whether the bulk grain size distribution of bed sediments is well represented by pebble counts on bars. We have developed and tested a boat-based sampling apparatus and methodology for extracting bulk sediment from a wide range of riverbed materials. It involves the use of a 0.4 x 0.4 x 0.2 meter stainless steel toothed sampler, called the Cooper Scooper, which is deployed from and dragged downstream by the weight of a jet boat. The design is based on that of a river anchor such that a rotating center bar connected to a rope line in the boat aligns the sampler in the downstream direction, the teeth penetrate the bed surface, and the sampler digs into the bed. The sampler is fitted with lead weights to keep it from tipping over. The force of the sampler `biting' into the bed can be felt on the rope line held by a person in the boat at which point they let out slack. The boat then motors to the spot above the embedded sampler, which is hoisted to the water surface via a system of pulleys. The Cooper Scooper is then clipped into a winch and boom assembly by which it is brought aboard. This apparatus improves upon commonly used clamshell dredge samplers, which are unable to penetrate coarse or mixed bed surfaces. The Cooper Scooper, by contrast, extracts statistically representative bed material sediment samples of up to 30 kilograms. Not surprisingly, the sampler does not perform well in very coarse or armored beds (e.g. where surface material size is on the

  3. Markov state modeling and dynamical coarse-graining via discrete relaxation path sampling.

    Science.gov (United States)

    Fačkovec, B; Vanden-Eijnden, E; Wales, D J

    2015-07-28

    A method is derived to coarse-grain the dynamics of complex molecular systems to a Markov jump process (MJP) describing how the system jumps between cells that fully partition its state space. The main inputs are relaxation times for each pair of cells, which are shown to be robust with respect to positioning of the cell boundaries. These relaxation times can be calculated via molecular dynamics simulations performed in each cell separately and are used in an efficient estimator for the rate matrix of the MJP. The method is illustrated through applications to Sinai billiards and a cluster of Lennard-Jones discs.

  4. Coarse-Grained Dynamics of Protein Synthesis in a Cell-Free System

    Science.gov (United States)

    Karzbrun, Eyal; Shin, Jonghyeon; Bar-Ziv, Roy H.; Noireaux, Vincent

    2011-01-01

    A complete gene expression reaction is reconstituted in a cell-free system comprising the entire endogenous transcription, translation, as well as mRNA and protein degradation machinery of E. coli. In dissecting the major reaction steps, we derive a coarse-grained enzymatic description of biosynthesis and degradation, from which ten relevant rate constants and concentrations are determined. Governed by zeroth-order degradation, protein expression follows a sharp transition from undetectable levels to constant-rate accumulation, without reaching steady state.

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

    Directory of Open Access Journals (Sweden)

    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

  6. Development of a coarse mesh code for the solution of two group static diffusion problems

    International Nuclear Information System (INIS)

    Barros, R.C. de.

    1985-01-01

    This new coarse mesh code designed for the solution of 2 and 3 dimensional static diffusion problems, is based on an alternating direction method which consists in the solution of one dimensional problem along each coordinate direction with leakage terms for the remaining directions estimated from previous interactions. Four versions of this code have been developed: AD21 - 2D - 1/4, AD21 - 2D - 4/4, AD21 - 3D - 1/4 and AD21 - 3D - 4/4; these versions have been designed for 2 and 3 dimensional problems with or without 1/4 symmetry. (Author) [pt

  7. A Hybrid FPGA/Coarse Parallel Processing Architecture for Multi-modal Visual Feature Descriptors

    DEFF Research Database (Denmark)

    Jensen, Lars Baunegaard With; Kjær-Nielsen, Anders; Alonso, Javier Díaz

    2008-01-01

    This paper describes the hybrid architecture developed for speeding up the processing of so-called multi-modal visual primitives which are sparse image descriptors extracted along contours. In the system, the first stages of visual processing are implemented on FPGAs due to their highly parallel...... nature whereas the higher stages are implemented in a coarse parallel way on a multicore PC. A significant increase in processing speed could be achieved (factor 11.5) as well as in terms of latency (factor 3.3). These factors can be further increased by optimizing the processes implemented...... on the multicore PC....

  8. Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models

    DEFF Research Database (Denmark)

    Stovgaard, Kasper; Andreetta, Christian; Ferkinghoff-Borg, Jesper

    2010-01-01

    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...

  9. The random phase transducer in ultrasonic NDT of coarse grain stainless steel

    International Nuclear Information System (INIS)

    Bordier, J.M.; Fink, M.; Le Brun, A.; Cohen-Tenoudji, F.

    1993-11-01

    Ultrasonic NDT of cast stainless steel is known to be difficult due to a huge loss of focussing of the ultrasonic beam, and to a high level speckle noise generated by the coarse grain structure. In this paper, we describe the principle of the ultrasonic random phase transducer. Experimental results are compared with those obtained with a standard spatial compound technique. We show that the random phase transducer is a good tool to characterize the multiple scattering process generated by these materials. (authors). 7 figs., 11 refs

  10. Coarse and fine aerosol source apportionment in Rio de Janeiro, Brazil

    Science.gov (United States)

    Godoy, Maria Luiza D. P.; Godoy, José Marcus; Roldão, Luiz Alfredo; Soluri, Daniela S.; Donagemma, Raquel A.

    The metropolitan area of Rio de Janeiro is one of the twenty biggest urban agglomerations in the world, with 11 million inhabitants in the metropolitan area, and has a high population density, with 1700 hab. km -2. For this aerosol source apportionment study, the atmospheric aerosol sampling was performed at ten sites distributed in different locations of the metropolitan area from September/2003 to December/2005, with sampling during 24 h on a weekly basis. Stacked filter units (SFU) were used to collect fine and coarse aerosol particles with a flow rate of 17 L min -1. In both size fractions trace elements were analyzed by Inductively Coupled Plasma-Mass Spectrometry (ICP-MS) as well as water-soluble species by Ion-Chromatography (IC). Also gravimetric analysis and reflectance measurements provided aerosol mass and black carbon concentrations. Very good detection limits for up to 42 species were obtained. Mean annual PM 10 mass concentration ranged from 20 to 37 μg m -3, values that are within the Brazilian air quality standards. Receptor models such as principal factor analysis, cluster analysis and absolute principal factor analysis were applied in order to identify and quantify the aerosol sources. For fine and coarse modes, circa of 100% of the measured mass was quantitatively apportioned to relatively few identified aerosol sources. A very similar and consistent source apportionment was obtained for both fine and coarse modes for all 10 sampling sites. Soil dust is an important component, accounting for 22-72% and for 25-48% of the coarse and fine mass respectively. On the other hand, anthropogenic sources as vehicle traffic and oil combustion represent a relatively high contribution (52-75%) of the fine aerosol mass. The joint use of ICP-MS and IC analysis of species in aerosols has proven to be reliable and feasible for the analysis of large amount of samples, and the coupling with receptor models provided an excellent method for quantitative aerosol

  11. Seasonal cycle and temperature dependence of pinene oxidation products, dicarboxylic acids and nitrophenols in fine and coarse air particulate matter

    Directory of Open Access Journals (Sweden)

    Y. Y. Zhang

    2010-08-01

    Full Text Available Filter samples of fine and coarse air particulate matter (PM collected over a period of one year in central Europe (Mainz, Germany were analyzed for water-soluble organic compounds (WSOCs, including the α- and β-pinene oxidation products pinic acid, pinonic acid and 3-methyl-1,2,3-butanetricarboxylic acid (3-MBTCA, as well as a variety of dicarboxylic acids and nitrophenols. Seasonal variations and other characteristic features in fine, coarse, and total PM (TSP are discussed with regard to aerosol sources and sinks in comparison to data from other studies and regions. The ratios of adipic acid and phthalic acid to azelaic acid indicate that the investigated aerosol samples were mainly influenced by biogenic sources. A strong Arrhenius-type correlation was found between the 3-MBTCA concentration and inverse temperature (R2 = 0.79, n = 52, Ea = 126 ± 10 kJ mol−1, temperature range 275–300 K. Model calculations suggest that the temperature dependence observed for 3-MBTCA can be explained by enhanced photochemical production due to an increase of hydroxyl radical (OH concentration with increasing temperature, whereas the influence of gas-particle partitioning appears to play a minor role. The results indicate that the OH-initiated oxidation of pinonic acid is the rate-limiting step in the formation of 3-MBTCA, and that 3-MBTCA may be a suitable tracer for the chemical aging of biogenic secondary organic aerosol (SOA by OH radicals. An Arrhenius-type temperature dependence was also observed for the concentration of pinic acid (R2 = 0.60, n = 56, Ea = 84 ± 9 kJ mol−1; it can be tentatively explained by the temperature dependence of biogenic pinene emission as the rate-limiting step of pinic acid formation.

  12. Underground riparian wood: Reconstructing the processes influencing buried stem and coarse root structures of Black Poplar (Populus nigra L.)

    Science.gov (United States)

    Holloway, James V.; Rillig, Matthias C.; Gurnell, Angela M.

    2017-02-01

    Following analysis of morphological (including dendrochronological and sedimentological) aspects of buried stem and coarse root structures of eight mature P. nigra individuals located within two sites along the middle to lower Tagliamento River, Italy (Holloway et al., 2017), this paper introduces information on the historical processes of vegetation development and river flow and links this to the form of these eight trees. Aerial images and flow time series are assembled to reconstruct the flood history, potential recruitment periods, and vegetation cover development in the vicinity of the studied trees. This information is combined with previous morphological evidence to reconstruct the development history of each tree via three-element summary diagrams showing (i) a time series of floods, aerial imagery dates, and potential recruitment periods, with colour-coded bars indicating likely key stages in the development of the tree; (ii) colour-coded overlays on an SfM photogrammetric model of each tree; and (iii) colour-coded text boxes providing explanatory annotations. The combined morphology-process analysis reveals complex three-dimensional underground structures, incorporating buried stems, shoots, and adventitious roots that are sometimes joined by grafting, linking the standing tree with the buried gravel surface on which it was recruited. Analysis of process data provides a firm basis for identifying and dating influential flow disturbance events and recruitment windows and shows that a relatively small number of flood events have significantly impacted the studied trees, which are mainly but not exclusively the largest floods in the record. Nevertheless, we stress that all suggested dates are best estimates in the light of the combined evidence. There is undoubted potential for building different interpretations of belowground woody structure development in light of such evidence, but we feel that the form and timing of the developmental trajectories we

  13. Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes

    Energy Technology Data Exchange (ETDEWEB)

    MacDermaid, Christopher M., E-mail: chris.macdermaid@temple.edu; Klein, Michael L.; Fiorin, Giacomo, E-mail: giacomo.fiorin@temple.edu [Institute for Computational Molecular Science, Temple University, 1925 North 12th Street, Philadelphia, Pennsylvania 19122-1801 (United States); Kashyap, Hemant K. [Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016 (India); DeVane, Russell H. [Modeling and Simulation, Corporate Research and Development, The Procter and Gamble Company, West Chester, Ohio 45069 (United States); Shinoda, Wataru [Department of Applied Chemistry, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Klauda, Jeffery B. [Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2015-12-28

    The architecture of a biological membrane hinges upon the fundamental fact that its properties are determined by more than the sum of its individual components. Studies on model membranes have shown the need to characterize in molecular detail how properties such as thickness, fluidity, and macroscopic bending rigidity are regulated by the interactions between individual molecules in a non-trivial fashion. Simulation-based approaches are invaluable to this purpose but are typically limited to short sampling times and model systems that are often smaller than the required properties. To alleviate both limitations, the use of coarse-grained (CG) models is nowadays an established computational strategy. We here present a new CG force field for cholesterol, which was developed by using measured properties of small molecules, and can be used in combination with our previously developed force field for phospholipids. The new model performs with precision comparable to atomistic force fields in predicting the properties of cholesterol-rich phospholipid bilayers, including area per lipid, bilayer thickness, tail order parameter, increase in bending rigidity, and propensity to form liquid-ordered domains in ternary mixtures. We suggest the use of this model to quantify the impact of cholesterol on macroscopic properties and on microscopic phenomena involving localization and trafficking of lipids and proteins on cellular membranes.

  14. Downscaling of Open Coarse Precipitation Data through Spatial and Statistical Analysis, Integrating NDVI, NDWI, Elevation, and Distance from Sea

    Directory of Open Access Journals (Sweden)

    Hicham Ezzine

    2017-01-01

    Full Text Available This study aims to improve the statistical spatial downscaling of coarse precipitation (TRMM 3B43 product and also to explore its limitations in the Mediterranean area. It was carried out in Morocco and was based on an open dataset including four predictors (NDVI, NDWI, DEM, and distance from sea that explain TRMM 3B43 product. For this purpose, four groups of models were established based on different combinations of the four predictors, in order to compare from one side NDVI and NDWI based models and the other side stepwise with multiple regression. The models that have given rise to the best approximations and best fits were used to downscale TRMM 3B43 product. The resulting downscaled and calibrated precipitations were validated by independent RGS. Aside from that, the limitations of the proposed approach were assessed in five bioclimatic stages. Furthermore, the influence of the sea was analyzed in five classes of distance. The findings showed that the models built using NDVI and NDWI have a high correlation and therefore can be used to downscale precipitation. The integration of elevation and distance improved the correlation models. According to R2, RMSE, bias, and MAE, the study revealed that there is a great agreement between downscaled precipitations and RGS measurements. In addition, the analysis showed that the contribution of the variable (distance from sea is evident around the coastal area and decreases progressively. Likewise, the study demonstrated that the approach performs well in humid and arid bioclimatic stages compared to others.

  15. Mass concentration, composition and sources of fine and coarse particulate matter in Tijuana, Mexico, during Cal-Mex campaign

    Science.gov (United States)

    Minguillón, María Cruz; Campos, Arturo Alberto; Cárdenas, Beatriz; Blanco, Salvador; Molina, Luisa T.; Querol, Xavier

    2014-05-01

    This work was carried out in the framework of the Cal-Mex project, which focuses on investigating the atmosphere along Mexico-California border region. Sampling was carried out at two sites located in Tijuana urban area: Parque Morelos and Metales y Derivados. PM2.5 and PM10 24 h samples were collected every three days from 17th May 2010 to 27th June 2010, and were used for gravimetric and chemical analyses (major and minor elements, inorganic ions, organic and elemental carbon) of PM. A subsequent Positive Matrix Factorization (PMF) analysis was performed. PM2.5 and PM10 average concentrations during Cal-Mex were relatively lower compared to usual annual averages. Trace elements concentrations recorded in the present study were lower than those recorded in Mexico City in 2006, with the exception of Pb at Metales y Derivados, attributed to the influence of a specific industrial source, which also includes As, Cd and Tl. Apart from this industrial source, both urban sites were found to be affected by similar sources with respect to bulk PM. Fine PM (PM2.5) was mainly apportioned by fueloil and biomass combustion and secondary aerosols, and road traffic. Coarse PM (PM2.5-10) was mainly apportioned by a mineral source (sum of road dust resuspension, construction emissions and natural soil) and fresh and aged sea salt. The road traffic was responsible for more than 60% of the fine elemental carbon and almost 40% of the fine organic matter.

  16. Bonding Behavior of Deformed Steel Rebars in Sustainable Concrete Containing both Fine and Coarse Recycled Aggregates.

    Science.gov (United States)

    Kim, Sun-Woo; Park, Wan-Shin; Jang, Young-Il; Jang, Seok-Joon; Yun, Hyun-Do

    2017-09-14

    In order to assess the bond behavior of deformed steel rebars in recycled-aggregate concrete (RAC) incorporating both fine and coarse recycled aggregate, pull-out tests were carried out in this study on 16-mm diameter deformed steel rebars embedded concentrically in RAC. The concrete was designed using equivalently mixed proportions of both recycled coarse aggregate and recycled fine aggregate. The tests employed five types of recycled aggregate replacement combinations and three types of rebar placement orientation (i.e., vertical bars and two-tiered and three-tiered horizontal bars). Based on the pull-out test results, the maximum bond strength tended to decrease and the slip at the maximum bond strength increased as the average water absorption of the aggregate increased, irrespective of the rebar orientation or placement location within the concrete member. The pull-out test results for the horizontal steel rebars embedded in RAC indicate that the casting position effect could be determined from the mid-depth of the concrete member, irrespective of the member's height. The normalized bond versus slip relationship between the deformed rebar and the RAC could be predicted using an empirical model based on regression analysis of the experimental data.

  17. A coarse-mesh nodal method-diffusive-mesh finite difference method

    International Nuclear Information System (INIS)

    Joo, H.; Nichols, W.R.

    1994-01-01

    Modern nodal methods have been successfully used for conventional light water reactor core analyses where the homogenized, node average cross sections (XSs) and the flux discontinuity factors (DFs) based on equivalence theory can reliably predict core behavior. For other types of cores and other geometries characterized by tightly-coupled, heterogeneous core configurations, the intranodal flux shapes obtained from a homogenized nodal problem may not accurately portray steep flux gradients near fuel assembly interfaces or various reactivity control elements. This may require extreme values of DFs (either very large, very small, or even negative) to achieve a desired solution accuracy. Extreme values of DFs, however, can disrupt the convergence of the iterative methods used to solve for the node average fluxes, and can lead to a difficulty in interpolating adjacent DF values. Several attempts to remedy the problem have been made, but nothing has been satisfactory. A new coarse-mesh nodal scheme called the Diffusive-Mesh Finite Difference (DMFD) technique, as contrasted with the coarse-mesh finite difference (CMFD) technique, has been developed to resolve this problem. This new technique and the development of a few-group, multidimensional kinetics computer program are described in this paper

  18. Coarse-grained Simulations of Sugar Transport and Conformational Changes of Lactose Permease

    Science.gov (United States)

    Liu, Jin; Jewel, S. M. Yead; Dutta, Prashanta

    2016-11-01

    Escherichia coli lactose permease (LacY) actively transports lactose and other galactosides across cell membranes through lactose/H+ symport process. Lactose/H+ symport is a highly complex process that involves sugar translocation, H+ transfer, as well as large-scale protein conformational changes. The complete picture of lactose/H+ symport is largely unclear due to the complexity and multiscale nature of the process. In this work, we develop the force field for sugar molecules compatible with PACE, a hybrid and coarse-grained force field that couples the united-atom protein models with the coarse-grained MARTINI water/lipid. After validation, we implement the new force field to investigate the transport of a β-D-galactopyranosyl-1-thio- β-D-galactopyranoside (TDG) molecule across a wild-type LacY during lactose/H+ symport process. Results show that the local interactions between TDG and LacY at the binding pocket are consistent with the X-ray experiment. Protonation of Glu325 stabilizes the TDG and inward-facing conformation of LacY. Protonation of Glu269 induces a dramatic protein structural reorganization and causes the expulsion of TDG from LacY to both sides of the membrane. The structural changes occur primarily in the N-terminal domain of LacY. This work is supported by NSF Grants: CBET-1250107 and CBET -1604211.

  19. Path statistics, memory, and coarse-graining of continuous-time random walks on networks

    Science.gov (United States)

    Manhart, Michael; Kion-Crosby, Willow; Morozov, Alexandre V.

    2015-12-01

    Continuous-time random walks (CTRWs) on discrete state spaces, ranging from regular lattices to complex networks, are ubiquitous across physics, chemistry, and biology. Models with coarse-grained states (for example, those employed in studies of molecular kinetics) or spatial disorder can give rise to memory and non-exponential distributions of waiting times and first-passage statistics. However, existing methods for analyzing CTRWs on complex energy landscapes do not address these effects. Here we use statistical mechanics of the nonequilibrium path ensemble to characterize first-passage CTRWs on networks with arbitrary connectivity, energy landscape, and waiting time distributions. Our approach can be applied to calculating higher moments (beyond the mean) of path length, time, and action, as well as statistics of any conservative or non-conservative force along a path. For homogeneous networks, we derive exact relations between length and time moments, quantifying the validity of approximating a continuous-time process with its discrete-time projection. For more general models, we obtain recursion relations, reminiscent of transfer matrix and exact enumeration techniques, to efficiently calculate path statistics numerically. We have implemented our algorithm in PathMAN (Path Matrix Algorithm for Networks), a Python script that users can apply to their model of choice. We demonstrate the algorithm on a few representative examples which underscore the importance of non-exponential distributions, memory, and coarse-graining in CTRWs.

  20. Microporous Titanium through Metal Injection Moulding of Coarse Powder and Surface Modification by Plasma Oxidation

    Directory of Open Access Journals (Sweden)

    Mohammed Menhal Shbeh

    2017-01-01

    Full Text Available Titanium is one of the most attractive materials for biomedical applications due to having excellent biocompatibility accompanied by good corrosion resistance. One popular processing technique for Ti is Metal Injection Moulding (MIM. However, there are several issues associated with the use of this technique, such as the high cost of the fine powder used, the high level of contamination and consequent alteration to material properties, as well as the large volume shrinkage that occurs during sintering. In this study, the use of a relatively coarse Ti powder with a mean particle size of 75 μm to process Ti parts with the potential for biomedical applications by MIM will be examined, compared to a commercial Ti feedstock, and subsequently coated using Plasma Electrolytic Oxidation (PEO. The results show that samples produced with the coarse powder shrink 35% less and have a relative density 14% less with an average pore size three-times larger than that of the commercial feedstock. This helps increase the potential competitiveness of MIM in the production of biomedical parts, as it reduces cost, shrinkage and results in more intentionally-induced micropores, such as are desired for biomedical implants. PEO treatment of the samples yields a thick rough coating comprised of a mixture of rutile and anatase with interconnected microporous channels and openings resembling the mouth of a volcanic crater.

  1. Splitting Method for Solving the Coarse-Mesh Discretized Low-Order Quasi-Diffusion Equations

    International Nuclear Information System (INIS)

    Hiruta, Hikaru; Anistratov, Dmitriy Y.; Adams, Marvin L.

    2005-01-01

    In this paper, the development is presented of a splitting method that can efficiently solve coarse-mesh discretized low-order quasi-diffusion (LOQD) equations. The LOQD problem can reproduce exactly the transport scalar flux and current. To solve the LOQD equations efficiently, a splitting method is proposed. The presented method splits the LOQD problem into two parts: (a) the D problem that captures a significant part of the transport solution in the central parts of assemblies and can be reduced to a diffusion-type equation and (b) the Q problem that accounts for the complicated behavior of the transport solution near assembly boundaries. Independent coarse-mesh discretizations are applied: the D problem equations are approximated by means of a finite element method, whereas the Q problem equations are discretized using a finite volume method. Numerical results demonstrate the efficiency of the methodology presented. This methodology can be used to modify existing diffusion codes for full-core calculations (which already solve a version of the D problem) to account for transport effects

  2. Investigation into the Flow Properties of Coarse Solid Fuels for Use in Industrial Feed Systems

    Directory of Open Access Journals (Sweden)

    James M. Craven

    2015-01-01

    Full Text Available Material feeding and handling systems have been cited as one of the most common causes of process downtime where thermochemical conversion processes are concerned. New and emerging fuels come in a variety of forms, and if such fuels are to be deployed widely it is imperative that material feeding and handling systems are designed appropriately. This study proposes an approach for designing material feeding and handling systems for use with coarse solid fuels. The data obtained from this study indicates particle size to be one of the key issues affecting the flowability of bulk solids further to the uniformity in particle shape. Coarse bulk solid samples were shown to flow more freely than their milled and pulverised counterparts, generating higher degrees of flowability. The results from this study were also applied to a new feed system used for feeding solid fuels to high pressure processes named the Hydraulic Lock Hopper. In this study the Hydraulic Lock Hopper demonstrated the feeding of wood pellets, torrefied spruce pellets, and ground anthracite coal grains against a pressure of 25 barg in two modes of operation. Energy savings compared to conventional lock hopper systems were recorded in the region of 80%.

  3. Extraction metallurgy for coarse particle ore and acid-curing and ferric-trickle leaching process

    International Nuclear Information System (INIS)

    Jin Suoqing

    1993-02-01

    Based on the viewpoint that only if the ground fine ore leaching method is replaced by the extraction from coarse particle ore, the face of uranium ore processing can be changed, the article presents the summary of the studying of thin-layer leaching (TLL) and of the developing a new process, acid-curing and ferric-trickle leaching (AFL) process (It is called NGJ process in China.). The operation of AFL process is similar to TLL method, but the water or acidified water is replaced by ferric solution for leaching-rising for cured ore. Ferric-trickle leaching can effectively complete the leaching reaction for uranium mineral in 'remaining leaching reaction' that is hardly to be finished in the course of curing. For the most uranium ores in China the AFL-process is competitive with the conventional leaching process. According to this analysis the AFL-process and other extractive processes for coarse particle should become basic extraction process for uranium ore in China. In other words the ore grinding is no more as an essential operation in uranium ore processing in China. Thus, many serious problems caused by ore grinding method in uranium ore processing can be solved and the uranium ore hydrometallurgy will be significantly changed

  4. Experimental Investigation on Damping Property of Coarse Aggregate Replaced Rubber Concrete

    Science.gov (United States)

    Sugapriya, P.; Ramkrishnan, R.; Keerthana, G.; Saravanamurugan, S.

    2018-02-01

    Rubber has good damping and vibrational characteristics and can reduce cracking significantly due to its elastic nature. This property of rubber can be incorporated in concrete to control vibrations and create better pavements. Crumb Rubber on being dumped in landfills has serious repercussions and causes soil and land pollution. An innovative use of waste tires is shredding them into small pieces and using them as a replacement for coarse aggregate. Crumb rubber is obtained by chopping scrap tires, and in this study it was added in two different sets named SET 1 - Treated Crumb Rubber and concrete, and SET 2 - Treated Crumb rubber with Ultra Fine GGBS as admixture in concrete. Coarse aggregate replaces Rubber in each of the 2 SET’s in proportions of 5, 10, 15 and 20%. Properties like Compressive Strength, Young’s Modulus, Direct and Semi direct Ultrasonic Pulse Velocity, Sorptivity, Damping ratio and Frequency were found out. Deformation and mode shape were studied with modal analysis and static analysis by applying a uniform pressure corresponding to the highest compressive strength of the slab, using ANSYS.

  5. The ELBA force field for coarse-grain modeling of lipid membranes.

    Directory of Open Access Journals (Sweden)

    Mario Orsi

    Full Text Available A new coarse-grain model for molecular dynamics simulation of lipid membranes is presented. Following a simple and conventional approach, lipid molecules are modeled by spherical sites, each representing a group of several atoms. In contrast to common coarse-grain methods, two original (interdependent features are here adopted. First, the main electrostatics are modeled explicitly by charges and dipoles, which interact realistically through a relative dielectric constant of unity (ε(r = 1. Second, water molecules are represented individually through a new parametrization of the simple Stockmayer potential for polar fluids; each water molecule is therefore described by a single spherical site embedded with a point dipole. The force field is shown to accurately reproduce the main physical properties of single-species phospholipid bilayers comprising dioleoylphosphatidylcholine (DOPC and dioleoylphosphatidylethanolamine (DOPE in the liquid crystal phase, as well as distearoylphosphatidylcholine (DSPC in the liquid crystal and gel phases. Insights are presented into fundamental properties and phenomena that can be difficult or impossible to study with alternative computational or experimental methods. For example, we investigate the internal pressure distribution, dipole potential, lipid diffusion, and spontaneous self-assembly. Simulations lasting up to 1.5 microseconds were conducted for systems of different sizes (128, 512 and 1058 lipids; this also allowed us to identify size-dependent artifacts that are expected to affect membrane simulations in general. Future extensions and applications are discussed, particularly in relation to the methodology's inherent multiscale capabilities.

  6. Coarse-grained Simulations of Substrate Export through Multidrug Efflux Transporter AcrB

    Science.gov (United States)

    Jewel, Yead; Dutta, Prashanta; Liu, Jin

    2017-11-01

    The treatment of bacterial infectious diseases hampered by the overexpression of multidrug resistance (MDR) systems. The MDR system actively pumps the antibiotic drugs as well as other toxic compounds out of the cells. During the pumping, AcrB (one of the key MDR components) undergoes a series of large-scale proton/substrate dependent conformational changes. In this work, we implement a hybrid coarse-grained PACE force field that couples the united-atom protein model with the coarse-grained MARTINI water/lipid, to investigate the conformational changes of AcrB. We first develop the substrate force field which is compatible with PACE, then we implement the force field to explore large scale structural changes of AcrB in microsecond simulations. The effects of the substrate and the protonation states of two key residues: Asp407 and Asp408, are investigated. Our results show that the drug export through AcrB is proton as well as substrate dependent. Our simulations explain molecular mechanisms of substrate transport through AcrB complex, as well as provide valuable insights for designing proper antibiotic drugs. Research reported in this publication was supported by the National Institute of General Medical Sciences of the National Institutes of Health under Award Number R01GM122081.

  7. Coarse-graining for fast dynamics of order parameters in the phase-field model

    Science.gov (United States)

    Jou, D.; Galenko, P. K.

    2018-01-01

    In standard descriptions, the master equation can be obtained by coarse-graining with the application of the hypothesis of full local thermalization that is equivalent to the local thermodynamic equilibrium. By contrast, fast transformations proceed in the absence of local equilibrium and the master equation must be obtained with the absence of thermalization. In the present work, a non-Markovian master equation leading, in specific cases of relaxation to local thermodynamic equilibrium, to hyperbolic evolution equations for a binary alloy, is derived for a system with two order parameters. One of them is a conserved order parameter related to the atomistic composition, and the other one is a non-conserved order parameter, which is related to phase field. A microscopic basis for phenomenological phase-field models of fast phase transitions, when the transition is so fast that there is not sufficient time to achieve local thermalization between two successive elementary processes in the system, is provided. In a particular case, when the relaxation to local thermalization proceeds by the exponential law, the obtained coarse-grained equations are related to the hyperbolic phase-field model. The solution of the model equations is obtained to demonstrate non-equilibrium phenomenon of solute trapping which appears in rapid growth of dendritic crystals. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

  8. Systematic hierarchical coarse-graining with the inverse Monte Carlo method

    International Nuclear Information System (INIS)

    Lyubartsev, Alexander P.; Naômé, Aymeric; Vercauteren, Daniel P.; Laaksonen, Aatto

    2015-01-01

    We outline our coarse-graining strategy for linking micro- and mesoscales of soft matter and biological systems. The method is based on effective pairwise interaction potentials obtained in detailed ab initio or classical atomistic Molecular Dynamics (MD) simulations, which can be used in simulations at less accurate level after scaling up the size. The effective potentials are obtained by applying the inverse Monte Carlo (IMC) method [A. P. Lyubartsev and A. Laaksonen, Phys. Rev. E 52(4), 3730–3737 (1995)] on a chosen subset of degrees of freedom described in terms of radial distribution functions. An in-house software package MagiC is developed to obtain the effective potentials for arbitrary molecular systems. In this work we compute effective potentials to model DNA-protein interactions (bacterial LiaR regulator bound to a 26 base pairs DNA fragment) at physiological salt concentration at a coarse-grained (CG) level. Normally the IMC CG pair-potentials are used directly as look-up tables but here we have fitted them to five Gaussians and a repulsive wall. Results show stable association between DNA and the model protein as well as similar position fluctuation profile

  9. Comparative Performance Analysis of Coarse Solvers for Algebraic Multigrid on Multicore and Manycore Architectures

    Energy Technology Data Exchange (ETDEWEB)

    Druinsky, A; Ghysels, P; Li, XS; Marques, O; Williams, S; Barker, A; Kalchev, D; Vassilevski, P

    2016-04-02

    In this paper, we study the performance of a two-level algebraic-multigrid algorithm, with a focus on the impact of the coarse-grid solver on performance. We consider two algorithms for solving the coarse-space systems: the preconditioned conjugate gradient method and a new robust HSS-embedded low-rank sparse-factorization algorithm. Our test data comes from the SPE Comparative Solution Project for oil-reservoir simulations. We contrast the performance of our code on one 12-core socket of a Cray XC30 machine with performance on a 60-core Intel Xeon Phi coprocessor. To obtain top performance, we optimized the code to take full advantage of fine-grained parallelism and made it thread-friendly for high thread count. We also developed a bounds-and-bottlenecks performance model of the solver which we used to guide us through the optimization effort, and also carried out performance tuning in the solver’s large parameter space. Finally, as a result, significant speedups were obtained on both machines.

  10. Coarse-grained model for the interconversion between different crystalline cellulose allomorphs

    Energy Technology Data Exchange (ETDEWEB)

    Langan, Paul [ORNL

    2012-01-01

    We present the results of Langevin dynamics simulations on a coarse grained model for crystalline cellulose. In particular, we analyze two different cellulose crystalline forms: cellulose I (the natural form of cellulose) and cellulose IIII (obtained after cellulose I is treated with anhydrous liquid ammonia). Cellulose IIII has been the focus of wide interest in the field of cellulosic biofuels as it can be efficiently hydrolyzed to glucose (its enzymatic degradation rates are up to 5 fold higher than those of cellulose I ). In turn, glucose can eventually be fermented into fuels. The coarse-grained model presented in this study is based on a simplified geometry and on an effective potential mimicking the changes in both intracrystalline hydrogen bonds and stacking interactions during the transition from cellulose I to cellulose IIII. The model accurately reproduces both structural and thermomechanical properties of cellulose I and IIII. The work presented herein describes the structural transition from cellulose I to cellulose IIII as driven by the change in the equilibrium state of two degrees of freedom in the cellulose chains. The structural transition from cellulose I to cellulose IIII is essentially reduced to a search for optimal spatial arrangement of the cellulose chains.

  11. Experimental investigation of surface modified EOF steel slag as coarse aggregate in concrete

    Directory of Open Access Journals (Sweden)

    Y.K. Sabapathy

    2017-10-01

    Full Text Available An experimental work was carried out to study the effect of Energy Optimizing Furnace (EOF steel slag as coarse aggregate replacement in concrete. Surface modification of slag was carried out to seal the surface voids of raw slag aggregates. Quarry dust obtained as an extractive waste from the granite stone quarries has been used as a blending material in this work. After several trials, it was found that a mix proportion of 1:6:14 (cement:quarry dust:slag aggregate was the most suitable mix ratio for the surface modification of the slag aggregates. Various mixes of concrete were prepared with different proportions of modified slag (ranging from 0% to 100% as replacements for aggregates. Three grades of concrete (20 MPa, 30 MPa and 40 MPa were used in the investigation and the concrete mixes were evaluated for compressive strength and splitting tensile strength. It was found that the compressive strength improved for 25 percent replacement of natural coarse aggregates. The splitting tensile strength was found to peak at 25 percent replacement of natural aggregates.

  12. Using phase information to enhance speckle noise reduction in the ultrasonic NDE of coarse grain materials

    Science.gov (United States)

    Lardner, Timothy; Li, Minghui; Gachagan, Anthony

    2014-02-01

    Materials with a coarse grain structure are becoming increasingly prevalent in industry due to their resilience to stress and corrosion. These materials are difficult to inspect with ultrasound because reflections from the grains lead to high noise levels which hinder the echoes of interest. Spatially Averaged Sub-Aperture Correlation Imaging (SASACI) is an advanced array beamforming technique that uses the cross-correlation between images from array sub-apertures to generate an image weighting matrix, in order to reduce noise levels. This paper presents a method inspired by SASACI to further improve imaging using phase information to refine focusing and reduce noise. A-scans from adjacent array elements are cross-correlated using both signal amplitude and phase to refine delay laws and minimize phase aberration. The phase-based and amplitude-based corrected images are used as inputs to a two-dimensional cross-correlation algorithm that will output a weighting matrix that can be applied to any conventional image. This approach was validated experimentally using a 5MHz array a coarse grained Inconel 625 step wedge, and compared to the Total Focusing Method (TFM). Initial results have seen SNR improvements of over 20dB compared to TFM, and a resolution that is much higher.

  13. Evaluation of ultrasonic array imaging algorithms for inspection of a coarse grained material

    Science.gov (United States)

    Van Pamel, A.; Lowe, M. J. S.; Brett, C. R.

    2014-02-01

    Improving the ultrasound inspection capability for coarse grain metals remains of longstanding interest to industry and the NDE research community and is expected to become increasingly important for next generation power plants. A test sample of coarse grained Inconel 625 which is representative of future power plant components has been manufactured to test the detectability of different inspection techniques. Conventional ultrasonic A, B, and C-scans showed the sample to be extraordinarily difficult to inspect due to its scattering behaviour. However, in recent years, array probes and Full Matrix Capture (FMC) imaging algorithms, which extract the maximum amount of information possible, have unlocked exciting possibilities for improvements. This article proposes a robust methodology to evaluate the detection performance of imaging algorithms, applying this to three FMC imaging algorithms; Total Focusing Method (TFM), Phase Coherent Imaging (PCI), and Decomposition of the Time Reversal Operator with Multiple Scattering (DORT MSF). The methodology considers the statistics of detection, presenting the detection performance as Probability of Detection (POD) and probability of False Alarm (PFA). The data is captured in pulse-echo mode using 64 element array probes at centre frequencies of 1MHz and 5MHz. All three algorithms are shown to perform very similarly when comparing their flaw detection capabilities on this particular case.

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

    International Nuclear Information System (INIS)

    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

  15. Relation between the grafting density of liquid crystal macromolecule and the symmetry of self-assembled bulk phase: coarse-grained molecular dynamics study

    Directory of Open Access Journals (Sweden)

    J.M. Ilnytskyi

    2013-01-01

    Full Text Available I consider a generic coarse-grained model suitable for the study of bulk self-assembly of liquid crystal (LC macromolecules. The cases include LC dendrimers, gold nanoparticles modified by polymer chains with terminating LC groups and oth. The study is focused on the relation between a number of grafted chains, Nch, and the symmetry of the self-assembled bulk phases. Simple space-filling arguments are used first to estimate stability intervals for a rod-like, disc-like and spherulitic conformations in terms of Nch. These are followed by coarse-grained molecular dynamics simulations for both spontaneous and aided self-assembly of LC macromolecules into bulk phases. In spontaneous self-assembly runs, essential coexistence of rod-like and disc-like conformations is observed (via analysis of the histograms for the molecular asphericity in a broad interval of Nch, which prevents formation of defect-free structures. The use of uniaxial and planar aiding fields is found to improve self-assembly into monodomain phases by promoting conformations of respective symmetry. Strong shape-phase relation, observed experimentally, is indicated also by the simulations by the coincidence of the stability intervals for the respective conformations with those for the bulk phases.

  16. Short- and medium-term response to storms on three Mediterranean coarse-grained beaches

    Science.gov (United States)

    Grottoli, Edoardo; Bertoni, Duccio; Ciavola, Paolo

    2017-10-01

    The storm response of three Italian coarse-grained beaches was investigated to better understand the morphodynamics of coarse-clastic beaches in a microtidal context. Two of the studied sites are located on the eastern side of the country (Portonovo and Sirolo) and the third one (Marina di Pisa) is on the western side. Portonovo and Sirolo are mixed sand and gravel beaches where the storms approach from two main directions, SE and NE. Marina di Pisa is a coarse-grained, gravel-dominated beach, exposed to storms driven by SW winds. Gravel nourishments were undertaken in recent years on the three sites. Beach topography was monitored measuring the same network of cross sections at a monthly (i.e. short-term) to seasonal frequency (i.e. medium-term). Geomorphic changes were examined before and after storm occurrences by means of profile analyses and shoreline position evaluations. The beach orientation and the influence of hard structures are the main factors controlling the transport and accumulation of significant amount of sediments and the consequent high variability of beach morphology over the medium-term. For Marina di Pisa, storms tend to accumulate material towards the upper part of the beach with no shoreline rotation and no chance to recover the initial configuration. Sirolo and Portonovo showed a similar behaviour that is more typical of pocket beaches. Both beaches show shoreline rotation after storms in a clockwise or counter-clockwise direction according to the incoming wave direction. The wider and longer beach at Sirolo allows the accumulation of a thin layer of sediment during storms, rather than at Portonovo where, given its longshore and landward boundaries, the beach material tends to accumulate in greater thickness. After storms, Sirolo and especially Portonovo can quickly recover the initial beach configuration, as soon as another storm of comparable energy approaches from the opposite direction of the previous one. Large morphological

  17. An eco-friendly self-compacting concrete with recycled coarse aggregates

    Directory of Open Access Journals (Sweden)

    Pereira-de Oliveira, L. A.

    2013-09-01

    Full Text Available The potential uses of coarse recycled aggregates in the composition of SCC increases the ecological value and partly solve the issues of waste disposal sites generated by construction and demolition of structures. Thus, this paper present an experimental study of SCC properties where the normal coarse aggregates were replaced by different percentages of recycled aggregates, i.e., 0% (SCC, 10% (SCCR10, 20% (SCCR20, 30% (SCCR30 and 40% (SCCR40. The results from fresh concrete (rheological properties and self-compactability as the hardened concrete properties (compressive strength, density and dynamic modulus of elasticity, show only minor discrepancies. From the standpoint of mechanical behaviour, the results confirm the viability to incorporate coarse recycled aggregates in the SCC demonstrating the conservative character of the currently recommended limits.Los usos potenciales de áridos gruesos reciclados en la composición del hormigón autocompactante (SCC aumenta el valor ecológico y en parte resuelve los problemas de los sitios de disposición de residuos generados por la construcción y la demolición de las estructuras. Por lo tanto, este trabajo presenta un estudio experimental de las propiedades de SCC en el cual los áridos gruesos naturales fueron reemplazados por distintos porcentajes de áridos reciclados, es decir, 0% (SCC, el 10% (SCCR10, el 20% (SCCR20, el 30% (SCCR30 y el 40% (SCCR40. Los resultados del hormigón fresco (propiedades reológicas y la auto-compactación, como las propiedades de hormigón endurecido (resistencia a la compresión, densidad y módulo de elasticidad dinámico, muestran sólo pequeñas discrepancias. Desde el punto de vista del comportamiento mecánico, los resultados confirman la viabilidad de incorporar áridos gruesos reciclados en los SCC demostrando el carácter conservador de los límites actualmente recomendados.

  18. Cratering efficiency on coarse-grain targets: Implications for the dynamical evolution of asteroid 25143 Itokawa

    Science.gov (United States)

    Tatsumi, Eri; Sugita, Seiji

    2018-01-01

    Remote sensing observations made by the spacecraft Hayabusa provided the first direct evidence of a rubble-pile asteroid: 25143 Itokawa. Itokawa was found to have a surface structure very different from other explored asteroids; covered with coarse pebbles and boulders ranging at least from cm to meter size. The cumulative size distribution of small circular depressions on Itokawa, most of which may be of impact origin, has a significantly shallower slope than that on the Moon; small craters are highly depleted on Itokawa compared to the Moon. This deficiency of small circular depressions and other features, such as clustered fragments and pits on boulders, suggest that the boulders on Itokawa might behave like armor, preventing crater formation: the ;armoring effect;. This might contribute to the low number density of small crater candidates. In this study, the cratering efficiency reduction due to coarse-grained targets was investigated based on impact experiments at velocities ranging from ∼ 70 m/s to ∼ 6 km/s using two vertical gas gun ranges. We propose a scaling law extended for cratering on coarse-grained targets (i.e., target grain size ≳ projectile size). We have found that the crater efficiency reduction is caused by energy dissipation at the collision site where momentum is transferred from the impactor to the first-contact target grain, and that the armoring effect can be classified into three regimes: (1) gravity scaled regime, (2) reduced size crater regime, or (3) no apparent crater regime, depending on the ratio of the impactor size to the target grain size and the ratio of the impactor kinetic energy to the disruption energy of a target grain. We found that the shallow slope of the circular depressions on Itokawa cannot be accounted for by this new scaling law, suggesting that obliteration processes, such as regolith convection and migration, play a greater role in the depletion of circular depressions on Itokawa. Based on the new extended

  19. Studying the effects of coarse pore expanded clay concrete on a permanent formwork made of cement bonded particle boards

    Directory of Open Access Journals (Sweden)

    Sigalov Aleksandr

    2017-01-01

    Full Text Available This paper suggests using a formwork system based on cement bonded particle boards (CBPB filled with coarse pore expanded clay concrete in order to improve the technical efficiency of the building envelope. Such a structure is made of lightweight or honeycomb concrete units, has a thickness equal to that of heavyweight concrete blocks and provides increased resistance to heat, better fire resistance and longer durability. The relatively modest price of the suggested option is seen as a notable advantage. The effects of coarse pore expanded clay concrete have been shown as being similar to the effects of heavyweight concrete, with the nature of the effects demonstrated on a hydrostatic pressure curve. The author has substantiated the geometric parameters for the suggested heat-efficient envelope design: a 800×800×370 mm block of CBPB filled with coarse-pore expanded clay concrete γ= 500kg/m3.

  20. Static Recrystallized Grain Size of Coarse-Grained Austenite in an API-X70 Pipeline Steel

    Science.gov (United States)

    Sha, Qingyun; Li, Guiyan; Li, Dahang

    2013-12-01

    The effects of initial grain size and strain on the static recrystallized grain size of coarse-grained austenite in an API-X70 steel microalloyed with Nb, V, and Ti were investigated using a Gleeble-3800 thermomechanical simulator. The results indicate that the static recrystallized grain size of coarse-grained austenite decreases with decreasing initial grain size and increasing applied strain. The addition of microalloying elements can lead to a smaller initial grain size for hot deformation due to the grain growth inhibition during reheating, resulting in decreasing of static recrystallized grain size. Based on the experimental data, an equation for the static recrystallized grain size was derived using the least square method. The grain sizes calculated using this equation fit well with the measured ones compared with the equations for fine-grained austenite and for coarse-grained austenite of Nb-V microalloyed steel.

  1. CAMELOT: A machine learning approach for coarse-grained simulations of aggregation of block-copolymeric protein sequences

    Energy Technology Data Exchange (ETDEWEB)

    Ruff, Kiersten M. [Computational and Systems Biology Program and Center for Biological Systems Engineering, Washington University in St. Louis, St. Louis, Missouri 63130-4899 (United States); Harmon, Tyler S. [Department of Physics and Center for Biological Systems Engineering, Washington University in St. Louis, St. Louis, Missouri 63130-4899 (United States); Pappu, Rohit V., E-mail: pappu@wustl.edu [Department of Biomedical Engineering and Center for Biological Systems Engineering, Washington University in St. Louis, CB 1097, St. Louis, Missouri 63130-4899 (United States)

    2015-12-28

    We report the development and deployment of a coarse-graining method that is well suited for computer simulations of aggregation and phase separation of protein sequences with block-copolymeric architectures. Our algorithm, named CAMELOT for Coarse-grained simulations Aided by MachinE Learning Optimization and Training, leverages information from converged all atom simulations that is used to determine a suitable resolution and parameterize the coarse-grained model. To parameterize a system-specific coarse-grained model, we use a combination of Boltzmann inversion, non-linear regression, and a Gaussian process Bayesian optimization approach. The accuracy of the coarse-grained model is demonstrated through direct comparisons to results from all atom simulations. We demonstrate the utility of our coarse-graining approach using the block-copolymeric sequence from the exon 1 encoded sequence of the huntingtin protein. This sequence comprises of 17 residues from the N-terminal end of huntingtin (N17) followed by a polyglutamine (polyQ) tract. Simulations based on the CAMELOT approach are used to show that the adsorption and unfolding of the wild type N17 and its sequence variants on the surface of polyQ tracts engender a patchy colloid like architecture that promotes the formation of linear aggregates. These results provide a plausible explanation for experimental observations, which show that N17 accelerates the formation of linear aggregates in block-copolymeric N17-polyQ sequences. The CAMELOT approach is versatile and is generalizable for simulating the aggregation and phase behavior of a range of block-copolymeric protein sequences.

  2. Estimation of aerosol complex refractive indices for both fine and coarse modes simultaneously based on AERONET remote sensing products

    Directory of Open Access Journals (Sweden)

    Y. Zhang

    2017-09-01

    Full Text Available Climate change assessment, especially model evaluation, requires a better understanding of complex refractive indices (CRIs of atmospheric aerosols – separately for both fine and coarse modes. However, the widely used aerosol CRI obtained by the global Aerosol Robotic Network (AERONET corresponds to total-column aerosol particles without separation for fine and coarse modes. This paper establishes a method to separate CRIs of fine and coarse particles based on AERONET volume particle size distribution (VPSD, aerosol optical depth (AOD and absorbing AOD (AAOD. The method consists of two steps. First a multimodal log-normal distribution that best approximates the AERONET VPSD is found. Then the fine and coarse mode CRIs are found by iterative fitting of AERONET AODs to Mie calculations. The numerical experiment shows good performance for typical water-soluble, biomass burning and dust aerosol types, and the estimated uncertainties on the retrieved sub-mode CRIs are about 0.11 (real part and 78 % (imaginary part. The 1-year measurements at the AERONET Beijing site are processed, and we obtain CRIs of 1.48–0.010i (imaginary part at 440 nm is 0.012 for fine mode particles and 1.49–0.004i (imaginary part at 440 nm is 0.007 for coarse mode particles, for the period of 2014–2015. Our results also suggest that both fine and coarse aerosol mode CRIs have distinct seasonal characteristics; in particular, CRIs of fine particles in winter season are significantly higher than summer due to possible anthropogenic influences.

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

    Directory of Open Access Journals (Sweden)

    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.

  4. Coarse-mesh rebalance methods compatible with the spherical harmonic fictitious source in neutron transport calculations

    International Nuclear Information System (INIS)

    Miller, W.F. Jr.

    1975-10-01

    The coarse-mesh rebalance method, based on neutron conservation, is used in discrete ordinates neutron transport codes to accelerate convergence of the within-group scattering source. Though very powerful for this application, the method is ineffective in accelerating the iteration on the discrete-ordinates-to-spherical-harmonics fictitious sources used for ray-effect elimination. This is largely because this source makes a minimum contribution to the neutron balance equation. The traditional rebalance approach is derived in a variational framework and compared with new rebalance approaches tailored to be compatible with the fictitious source. The new approaches are compared numerically to determine their relative advantages. It is concluded that there is little incentive to use the new methods. (3 tables, 5 figures)

  5. Influences of nanotwin volume fraction on the ballistic performance of coarse-grained metals

    Directory of Open Access Journals (Sweden)

    Q.D. Ouyang

    2017-09-01

    Full Text Available Coarse-grained (CG metals strengthened by nanotwinned (NT regions possess high strength and good ductility. As such, they are very suitable for applications in bullet-proof targets. Here, a numerical model based on the conventional theory of strain gradient plasticity and the Johnson–Cook failure criterion is employed to study the influences of volume fraction of NT regions on their ballistic performance. The results show that in general a relatively small twin spacing (4–10 nm and a moderate volume fraction (7%–20% will lead to excellent limit velocity and that the influences of volume fraction on limit displacement change with the category of impact processes.

  6. Star polymers as unit cells for coarse-graining cross-linked networks

    Science.gov (United States)

    Molotilin, Taras Y.; Maduar, Salim R.; Vinogradova, Olga I.

    2018-03-01

    Reducing the complexity of cross-linked polymer networks by preserving their main macroscale properties is key to understanding them, and a crucial issue is to relate individual properties of the polymer constituents to those of the reduced network. Here we study polymer networks in a good solvent, by considering star polymers as their unit elements, and first quantify the interaction between their centers of masses. We then reduce the complexity of a network by replacing sets of its bridged star polymers by equivalent effective soft particles with dense cores. Our coarse graining allows us to approximate complex polymer networks by much simpler ones, keeping their relevant mechanical properties, as illustrated in computer experiments.

  7. Mechanical properties of concrete containing recycled concrete aggregate (RCA) and ceramic waste as coarse aggregate replacement

    Science.gov (United States)

    Khalid, Faisal Sheikh; Azmi, Nurul Bazilah; Sumandi, Khairul Azwa Syafiq Mohd; Mazenan, Puteri Natasya

    2017-10-01

    Many construction and development activities today consume large amounts of concrete. The amount of construction waste is also increasing because of the demolition process. Much of this waste can be recycled to produce new products and increase the sustainability of construction projects. As recyclable construction wastes, concrete and ceramic can replace the natural aggregate in concrete because of their hard and strong physical properties. This research used 25%, 35%, and 45% recycled concrete aggregate (RCA) and ceramic waste as coarse aggregate in producing concrete. Several tests, such as concrete cube compression and splitting tensile tests, were also performed to determine and compare the mechanical properties of the recycled concrete with those of the normal concrete that contains 100% natural aggregate. The concrete containing 35% RCA and 35% ceramic waste showed the best properties compared with the normal concrete.

  8. On fast iterative mapping algorithms for stripe based coarse-grained reconfigurable architectures

    Science.gov (United States)

    Mehta, Gayatri; Patel, Krunalkumar; Pollard, Nancy S.

    2015-01-01

    Reconfigurable devices have potential for great flexibility/efficiency, but mapping algorithms onto these architectures is a long-standing challenge. This paper addresses this challenge for stripe based coarse-grained reconfigurable architectures (CGRAs) by drawing on insights from graph drawing. We adapt fast, iterative algorithms from hierarchical graph drawing to the problem of mapping to stripe based architectures. We find that global sifting is 98 times as fast as simulated annealing and produces very compact designs with 17% less area on average, at a cost of 5% greater wire length. Interleaving iterations of Sugiyama and global sifting is 40 times as fast as simulated annealing and achieves somewhat more compact designs with 1.8% less area on average, at a cost of only 1% greater wire length. These solutions can enable fast design space exploration, rapid performance testing, and flexible programming of CGRAs "in the field."

  9. Coarse-scale spatial and ecological analysis of tuberculosis in cattle: an investigation in Jalisco, Mexico

    Directory of Open Access Journals (Sweden)

    Horacio Zendejas-Martínez

    2008-11-01

    Full Text Available We have tested the hypothesis that coarse-scale environmental features are associated with spatial variation in bovine tuberculosis (BTB prevalence, based on extensive sampling and testing of cattle in the state of Jalisco, Mexico. Ecological niche models were developed to summarize relationships between BTB occurrences and aspects of climate, topography and surface. Model predictions, however, reflected the distributions of dairy cattle versus beef cattle, and the non-random nature of sampling any cattle, but did not succeed in detecting environmental correlates at spatial resolutions of 1 km. Given that the tests employed seek any predictivity better than random expectations, making the finding of no environmental associations conservative, we conclude that BTB prevalence is independent of coarsescale environmental features.

  10. Coarse-graining intermittent intracellular transport: Two- and three-dimensional models

    Science.gov (United States)

    Lawley, Sean D.; Tuft, Marie; Brooks, Heather A.

    2015-10-01

    Viruses and other cellular cargo that lack locomotion must rely on diffusion and cellular transport systems to navigate through a biological cell. Indeed, advances in single particle tracking have revealed that viral motion alternates between (a) diffusion in the cytoplasm and (b) active transport along microtubules. This intermittency makes quantitative analysis of trajectories difficult. Therefore, the purpose of this paper is to construct mathematical methods to approximate intermittent dynamics by effective stochastic differential equations. The coarse-graining method that we develop is more accurate than existing techniques and applicable to a wide range of intermittent transport models. In particular, we apply our method to two- and three-dimensional cell geometries (disk, sphere, and cylinder) and demonstrate its accuracy. In addition to these specific applications, we also explain our method in full generality for use on future intermittent models.

  11. Coarse-to-Fine Segmentation with Shape-Tailored Continuum Scale Spaces

    KAUST Repository

    Khan, Naeemullah

    2017-11-09

    We formulate an energy for segmentation that is designed to have preference for segmenting the coarse over fine structure of the image, without smoothing across boundaries of regions. The energy is formulated by integrating a continuum of scales from a scale space computed from the heat equation within regions. We show that the energy can be optimized without computing a continuum of scales, but instead from a single scale. This makes the method computationally efficient in comparison to energies using a discrete set of scales. We apply our method to texture and motion segmentation. Experiments on benchmark datasets show that a continuum of scales leads to better segmentation accuracy over discrete scales and other competing methods.

  12. The composition of atmospheric coarse particles at an urban and non-urban site

    Science.gov (United States)

    Noll, K. E.; Draftz, R.; Fang, K. Y. P.

    The composition of four samples of atmospheric coarse particles (> 6 μm diameter) was determined by morphology using an optical microscope. Two samples were from a rural site and two from an urban site in the midwestern United States. The urban samples represented a heavily industrial sector and a commercial sector of the urban area. The contributions of various sources to total mass concentration were compared. Results indicate that limestone and silicates were the main source of material at the non-urban site. Anthropogenic sources, represented by flyash and coal, were present in the industrial sector sample and rubber tire was present in the commercial sector sample. The mass median diameters (MMD) for different components were as follows: limestone (20 μm), silicates (12 μm), coal, flyash and iron oxide (12 μm) and rubber tire (25 μm).

  13. Coarse to fine aircraft detection from front-looking infrared images

    Science.gov (United States)

    Lin, Jin; Tan, Yihua; Tian, Jinwen

    2018-03-01

    Due to the weak feature and wide angle of long-distance aircraft targeting in the parking apron from front-looking infrared images, there are always false alarms in aircraft targeting detection. This leads to relatively poor reliability for detection results. In this paper, we present a scene-driven coarse-to-fine aircraft target detection method. First, we preprocess the image by combining the sharpened and enhanced images. Second, the region of interest (ROI) is segmented by using the local mean variance of the image and a series of subsequent processing. Then, target candidate areas are located by using the feature of local marginal distributions. Lastly, aircrafts can be detected accurately by a novel aircraft shape filter. Experiments on three infrared image sequences have shown that the presented method is effective and robust in detecting long-distance aircraft from front-looking infrared images and can also improve the reliability of the detection results.

  14. Computational study of imperfect networks using a coarse-grained model

    Science.gov (United States)

    Sliozberg, Yelena R.; Chantawansri, Tanya L.

    2013-11-01

    The structural and mechanical properties of imperfect entangled polymer networks with various fractions of elastically active chains are studied using a generic coarse-grained model. Network topology is analyzed at various degrees of cross-linking and correlated with the mechanical response under uniaxial deformation at various strain rates. We found excellent agreement between results obtained from the structural analysis and from fitting to stress relaxation data. The relaxation tensile modulus at various engineering strains was also calculated as a function of the fraction of active strands. Results indicate that the mechanical and viscoelastic properties of entangled polymer networks are susceptible to variation in the network structure, where defects can affect the mechanical response especially at low strain rates and the relaxation behavior at long times.

  15. The distribution of soiling by coarse particulate matter in the museum environment.

    Science.gov (United States)

    Yoon, Y H; Brimblecombe, P

    2001-12-01

    Soiling measurements are needed to address strategies to control dust and determine its sources. There is no widely recognized method for dust monitoring in museums, but we used sticky samplers to collect deposited coarse particulate matter, and both manual microscopic observations and image analysis for determining soiling potential in the museum environment. We adopt fractional area covered by deposited particles as a surrogate for soiling and the covering rate (unit: s-1) as a measure of the rate of soiling. It was clear that visitor flow was a major contributor to soiling, such that soiling mechanisms in different museums could be compared after measurements were normalised on a per capita basis. The proximity of visitors to objects was another important factor with the soiling declining with distance from visitor pathways (a half-distance of about 0.5 m), which suggests soiling of objects on open display could be reduced by increasing the distance from visitors.

  16. A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)

    Energy Technology Data Exchange (ETDEWEB)

    Abbott, Lauren J.; Stevens, Mark J., E-mail: msteve@sandia.gov [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

    2015-12-28

    A coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil–globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomistic simulations.

  17. Instillation of coarse ash particulate matter and lipopolysaccharide produces a systemic inflammatory response in mice

    Energy Technology Data Exchange (ETDEWEB)

    Finnerty, K.; Choi, J.E.; Lau, A.; Davis-Gorman, G.; Diven, C.; Seaver, N.; Linak, W.P.; Witten, M.; McDonagh, P.F. [Arizona Health Science Center, Tucson, AZ (United States)

    2007-07-01

    Coronary ischemic events increase significantly following a 'bad air' day. Ambient particulate matter (PM10) is the pollutant most strongly associated with these events. PM10 produces inflammatory injury to the lower airways. It is not clear, however, whether pulmonary inflammation translates to a systemic response. Lipopolysaccharide (LPS) is a proinflammatory molecule often associated with the coarse fraction of PM. It was hypothesized that PM > 2.5 from coal plus LPS induce pulmonary inflammation leading to a systemic inflammatory response. Mice were intratracheally instilled with saline, PM (200 {mu} g), PM+ LPS10 (PM+ 10 {mu} g LPS), or PM+ LPS100 (PM+ 100 {mu} g LPS). Eighteen hours later, histologic analysis was performed on lungs from each group. Pulmonary and systemic inflammation were assessed by measuring the proinflammatory cytokines tumor necrosis factor (TNF)-{alpha} and interleukin (IL)-6 in the pulmonary supernatant and plasma. In a follow-up study, the effects of LPS alone were assessed. Histologic analysis revealed a dose-dependent elevation in pulmonary inflammation with all treatments. Pulmonary TNF-{alpha} and IL-6 both increased significantly with PM+ LPS100 treatment. Regarding plasma, TNF-{alpha} significantly increased in both PM+ LPS10 and PM+ LPS100 treatments. For plasma IL-6, all groups tended to rise with a significant increase in the PM+ LPS100 group. The results of the follow-up study indicate that the responses to PM+ LPS were not due to LPS alone. These results suggest that coarse coal fly ash PM > 2.5 combined with LPS produced pulmonary and systemic inflammatory responses. The resulting low-level systemic inflammation may contribute to the increased severity of ischemic heart disease observed immediately following a bad air day.

  18. Ensemble Empirical Mode Decomposition based methodology for ultrasonic testing of coarse grain austenitic stainless steels.

    Science.gov (United States)

    Sharma, Govind K; Kumar, Anish; Jayakumar, T; Purnachandra Rao, B; Mariyappa, N

    2015-03-01

    A signal processing methodology is proposed in this paper for effective reconstruction of ultrasonic signals in coarse grained high scattering austenitic stainless steel. The proposed methodology is comprised of the Ensemble Empirical Mode Decomposition (EEMD) processing of ultrasonic signals and application of signal minimisation algorithm on selected Intrinsic Mode Functions (IMFs) obtained by EEMD. The methodology is applied to ultrasonic signals obtained from austenitic stainless steel specimens of different grain size, with and without defects. The influence of probe frequency and data length of a signal on EEMD decomposition is also investigated. For a particular sampling rate and probe frequency, the same range of IMFs can be used to reconstruct the ultrasonic signal, irrespective of the grain size in the range of 30-210 μm investigated in this study. This methodology is successfully employed for detection of defects in a 50mm thick coarse grain austenitic stainless steel specimens. Signal to noise ratio improvement of better than 15 dB is observed for the ultrasonic signal obtained from a 25 mm deep flat bottom hole in 200 μm grain size specimen. For ultrasonic signals obtained from defects at different depths, a minimum of 7 dB extra enhancement in SNR is achieved as compared to the sum of selected IMF approach. The application of minimisation algorithm with EEMD processed signal in the proposed methodology proves to be effective for adaptive signal reconstruction with improved signal to noise ratio. This methodology was further employed for successful imaging of defects in a B-scan. Copyright © 2014. Published by Elsevier B.V.

  19. A large coaxial reflection cell for broadband dielectric characterization of coarse-grained materials

    Science.gov (United States)

    Bore, Thierry; Bhuyan, Habibullah; Bittner, Tilman; Murgan, Vignesh; Wagner, Norman; Scheuermann, Alexander

    2018-01-01

    Knowledge of the frequency-dependent electromagnetic properties of coarse-grained materials is imperative for the successful application of high frequency electromagnetic measurement techniques for near and subsurface monitoring. This paper reports the design, calibration and application of a novel one-port large coaxial cell for broadband complex permittivity measurements of civil engineering materials. It was designed to allow the characterization of heterogeneous material with large aggregate dimensions (up to 28 mm) over a frequency range from 1 MHz-860 MHz. In the first step, the system parameters were calibrated using the measured scattering function in a perfectly known dielectric material in an optimization scheme. In the second step, the method was validated with measurements made on standard liquids. Then the performance of the cell was evaluated on a compacted coarse-grained soil. The dielectric spectra were obtained by means of fitting the measured scattering function using a transverse electromagnetic mode propagation model considering the frequency-dependent complex permittivity. Two scenarios were systematically analyzed and compared. The first scenario consisted of a broadband generalized dielectric relaxation model with two Cole-Cole type relaxation processes related to the interaction of the aqueous phase and the solid phase, a constant high frequency contribution as well as an apparent direct current conductivity term. The second scenario relied on a three-phase theoretical mixture equation which was used in a forward approach in order to calibrate the model. Both scenarios provide almost identical results for the broadband effective complex relative permittivity. The combination of both scenarios suggests the simultaneous estimation of water content, density, bulk and pore water conductivity for road base materials for in situ applications.

  20. Web-based computational chemistry education with CHARMMing II: Coarse-grained protein folding.

    Directory of Open Access Journals (Sweden)

    Frank C Pickard

    2014-07-01

    Full Text Available A lesson utilizing a coarse-grained (CG Gō-like model has been implemented into the CHARMM INterface and Graphics (CHARMMing web portal (www.charmming.org to the Chemistry at HARvard Macromolecular Mechanics (CHARMM molecular simulation package. While widely used to model various biophysical processes, such as protein folding and aggregation, CG models can also serve as an educational tool because they can provide qualitative descriptions of complex biophysical phenomena for a relatively cheap computational cost. As a proof of concept, this lesson demonstrates the construction of a CG model of a small globular protein, its simulation via Langevin dynamics, and the analysis of the resulting data. This lesson makes connections between modern molecular simulation techniques and topics commonly presented in an advanced undergraduate lecture on physical chemistry. It culminates in a straightforward analysis of a short dynamics trajectory of a small fast folding globular protein; we briefly describe the thermodynamic properties that can be calculated from this analysis. The assumptions inherent in the model and the data analysis are laid out in a clear, concise manner, and the techniques used are consistent with those employed by specialists in the field of CG modeling. One of the major tasks in building the Gō-like model is determining the relative strength of the nonbonded interactions between coarse-grained sites. New functionality has been added to CHARMMing to facilitate this process. The implementation of these features into CHARMMing helps automate many of the tedious aspects of constructing a CG Gō model. The CG model builder and its accompanying lesson should be a valuable tool to chemistry students, teachers, and modelers in the field.

  1. Predicting RNA 3D structure using a coarse-grain helix-centered model.

    Science.gov (United States)

    Kerpedjiev, Peter; Höner Zu Siederdissen, Christian; Hofacker, Ivo L

    2015-06-01

    A 3D model of RNA structure can provide information about its function and regulation that is not possible with just the sequence or secondary structure. Current models suffer from low accuracy and long running times and either neglect or presume knowledge of the long-range interactions which stabilize the tertiary structure. Our coarse-grained, helix-based, tertiary structure model operates with only a few degrees of freedom compared with all-atom models while preserving the ability to sample tertiary structures given a secondary structure. It strikes a balance between the precision of an all-atom tertiary structure model and the simplicity and effectiveness of a secondary structure representation. It provides a simplified tool for exploring global arrangements of helices and loops within RNA structures. We provide an example of a novel energy function relying only on the positions of stems and loops. We show that coupling our model to this energy function produces predictions as good as or better than the current state of the art tools. We propose that given the wide range of conformational space that needs to be explored, a coarse-grain approach can explore more conformations in less iterations than an all-atom model coupled to a fine-grain energy function. Finally, we emphasize the overarching theme of providing an ensemble of predicted structures, something which our tool excels at, rather than providing a handful of the lowest energy structures. © 2015 Kerpedjiev et al.; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

  2. Polarizable water model for the coarse-grained MARTINI force field.

    Directory of Open Access Journals (Sweden)

    Semen O Yesylevskyy

    2010-06-01

    Full Text Available Coarse-grained (CG simulations have become an essential tool to study a large variety of biomolecular processes, exploring temporal and spatial scales inaccessible to traditional models of atomistic resolution. One of the major simplifications of CG models is the representation of the solvent, which is either implicit or modeled explicitly as a van der Waals particle. The effect of polarization, and thus a proper screening of interactions depending on the local environment, is absent. Given the important role of water as a ubiquitous solvent in biological systems, its treatment is crucial to the properties derived from simulation studies. Here, we parameterize a polarizable coarse-grained water model to be used in combination with the CG MARTINI force field. Using a three-bead model to represent four water molecules, we show that the orientational polarizability of real water can be effectively accounted for. This has the consequence that the dielectric screening of bulk water is reproduced. At the same time, we parameterized our new water model such that bulk water density and oil/water partitioning data remain at the same level of accuracy as for the standard MARTINI force field. We apply the new model to two cases for which current CG force fields are inadequate. First, we address the transport of ions across a lipid membrane. The computed potential of mean force shows that the ions now naturally feel the change in dielectric medium when moving from the high dielectric aqueous phase toward the low dielectric membrane interior. In the second application we consider the electroporation process of both an oil slab and a lipid bilayer. The electrostatic field drives the formation of water filled pores in both cases, following a similar mechanism as seen with atomistically detailed models.

  3. The accumulation of radiocesium in coarse marine sediment: Effects of mineralogy and organic matter

    International Nuclear Information System (INIS)

    Kim, Yeongkyoo; Kim, Kangjoo; Kang, Hee-Dong; Kim, Wan; Doh, Si-Hong; Kim, Do-Sung; Kim, Byoung-Ki

    2007-01-01

    The controlling factors affecting the accumulation of 137 Cs in marine sediment have not been investigated in detail, especially in coarse grained sediment. Eighty eight coarse marine sediment samples near Wuljin, Korea, were characterized by quantitative X-ray-diffraction (XRD), gamma-ray, and total organic carbon (TOC) analysis. Those factors were then compared. The grain size was in the range of -0.48 to 3.6 Mdφ corresponding to sand grains. TOC content was in the range of 0.06-1.75%, and the concentration of 137 Cs was 137 Cs activity, which was first reported here, probably due to the weathered frayed edge site of biotite produced by a release of K. The samples with low TOC contents showed even better correlation between biotite content and 137 Cs activity. For the entire samples, however, the TOC content showed better correlation with 137 Cs activity than other single factors, indicating that biotite and organic carbon are the most important factors controlling 137 Cs fixation. The combined effect of biotite and TOC for 137 Cs fixation was also confirmed by multiple regression analysis ( 137 Cs activity = 1.712 . TOC (wt%) + 0.202 . biotite (wt%) - 0.097; R 2 = 0.819). The regressed slopes indicated that the 137 Cs-adsorption capacity of TOC was about 8.5 times higher than that of biotite. However, the amount of 137 Cs adsorbed onto biotite was 30% more than that adsorbed onto TOC due to much greater biotite content in the sediment. The role of biotite in fixing 137 Cs becomes more important in sediment with coarser grains, containing little TOC

  4. Coarse-scale movement patterns of a small-bodied fish inhabiting a desert stream

    Science.gov (United States)

    Dzul, M.C.; Quist, M.C.; Dinsmore, S.J.; Gaines, D.B.; Bower, M.R.

    2013-01-01

    Located on the floor of Death Valley (CA, USA), Salt Creek harbors a single fish species, the Salt Creek pupfish, Cyprinodon salinus salinus, which has adapted to this extremely harsh environment. Salt Creek is fed by an underground spring and is comprised of numerous pools, runs, and marshes that exhibit substantial variability in temperature, salinity, and dissolved oxygen concentrations. In addition, the wetted area of Salt Creek is reduced throughout the summer months due to high rates of evaporation, with some reaches drying completely. Therefore, it seems logical that short- and long-term movement patterns may play an important role in Salt Creek pupfish population dynamics. The objective of this study was to describe coarse-scale movements of Salt Creek pupfish in Salt Creek during their breeding season from March to May. Sex ratios and length–frequency distributions varied spatially within Salt Creek, suggesting population segregation during the breeding season. Long-distance movements were generally rare, although two fish moved more than 1.2 km. Movement in upstream reaches was rare or absent, in contrast to the greater movement observed in downstream reaches (29% of recaptures). Temporal trends and demographic patterns in movement were not observed. Because the two most downstream habitats dry up in the summer, our results indicate that coarse-scale movements that re-populate downstream reaches likely occur during other times of year. Consequently, the importance of small- and large-scale movements is influenced by season. Further assessment of Salt Creek movement patterns conducted during other times of year may better illuminate long-distance movement patterns and source-sink dynamics.

  5. Passive sampling to capture the spatial variability of coarse particles by composition in Cleveland, OH

    Science.gov (United States)

    Sawvel, Eric J.; Willis, Robert; West, Roger R.; Casuccio, Gary S.; Norris, Gary; Kumar, Naresh; Hammond, Davyda; Peters, Thomas M.

    2015-03-01

    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 determined using computer-controlled scanning electron microscopy with energy-dispersive X-ray spectroscopy (CCSEM-EDS) was then used to estimate PM10-2.5 concentrations (μg m-3) and its components in 13 particle classes. The highest PM10-2.5 mean mass concentrations were observed at three central industrial sites (35 μg m-3, 43 μg m-3, and 48 μg m-3), whereas substantially lower mean concentrations were observed to the west and east of this area at suburban background sites (13 μg m-3 and 15 μg m-3). PM10-2.5 mass and components associated with steel and cement production (Fe-oxide and Ca-rich) exhibited substantial heterogeneity with elevated concentrations observed in the river valley, stretching from Lake Erie south through the central industrial area and in the case of Fe-oxide to a suburban valley site. Other components (e.g., Si/Al-rich typical of crustal material) were considerably less heterogeneous. This work shows that some species of coarse particles are considerably more spatially heterogeneous than others in an urban area with a strong industrial core. It also demonstrates that passive sampling coupled with analysis by CCSEM-EDS is a useful tool to assess the spatial variability of particulate pollutants by composition.

  6. Automated Coarse Registration of Point Clouds in 3d Urban Scenes Using Voxel Based Plane Constraint

    Science.gov (United States)

    Xu, Y.; Boerner, R.; Yao, W.; Hoegner, L.; Stilla, U.

    2017-09-01

    For obtaining a full coverage of 3D scans in a large-scale urban area, the registration between point clouds acquired via terrestrial laser scanning (TLS) is normally mandatory. However, due to the complex urban environment, the automatic registration of different scans is still a challenging problem. In this work, we propose an automatic marker free method for fast and coarse registration between point clouds using the geometric constrains of planar patches under a voxel structure. Our proposed method consists of four major steps: the voxelization of the point cloud, the approximation of planar patches, the matching of corresponding patches, and the estimation of transformation parameters. In the voxelization step, the point cloud of each scan is organized with a 3D voxel structure, by which the entire point cloud is partitioned into small individual patches. In the following step, we represent points of each voxel with the approximated plane function, and select those patches resembling planar surfaces. Afterwards, for matching the corresponding patches, a RANSAC-based strategy is applied. Among all the planar patches of a scan, we randomly select a planar patches set of three planar surfaces, in order to build a coordinate frame via their normal vectors and their intersection points. The transformation parameters between scans are calculated from these two coordinate frames. The planar patches set with its transformation parameters owning the largest number of coplanar patches are identified as the optimal candidate set for estimating the correct transformation parameters. The experimental results using TLS datasets of different scenes reveal that our proposed method can be both effective and efficient for the coarse registration task. Especially, for the fast orientation between scans, our proposed method can achieve a registration error of less than around 2 degrees using the testing datasets, and much more efficient than the classical baseline methods.

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

    DEFF Research Database (Denmark)

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

    2016-01-01

    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...

  8. Signal processing for ultrasonic testing of stainless steel with coarse structure

    International Nuclear Information System (INIS)

    Dahlgren, Sven; Ericsson, Lars

    2000-03-01

    Ultrasonic testing of materials with coarse grains often gives poor signal-to-noise-ratio due to backscattering from the grain boundaries. The influence of the back-scattering, being strongly dependent on the size of the grains and the wavelength used, can be reduced by suitable choice of inspection frequencies used. The actual choice can be made flexible using broad band probes in combination with digital signal processing. Furthermore, with such an approach it might be possible both to detect and size defects from the same scan. One well-known signal processing method is Split Spectrum Processing (SSP). This method can significantly reduce grain noise, but finding the optimal choice of parameters involved is difficult. The introduction of the Consecutive Polarity Coincidence (CPC) as SSP target extraction algorithm more or less solved this problem but other draw-backs such as reduced temporal resolution is inherent in SSP. Based on the experiences with SSP a new approach to grain noise reduction, based on non coherent detection (NCD), was developed at Uppsala University. The technique is evaluated, in this investigation. The NCD algorithm has for a long time been used within the field of telecommunication and is based upon detection of bandpass signals in additive Gaussian noise. To adapt the algorithm for use in NDE a two parameter transient model is used. The construction of an NCD filter includes three steps: estimation of the autocorrelation of the noise; specification of the two parameters, lower and upper frequency, of the signal prototype; computation of the filter. During the project two algorithms, based on signal entropy and signal-to-noise-ratio enhancement (SNRE), have been developed to determine the two parameters in an automated procedure. UTdata to evaluate the NCD algorithm were collected in three phases: Phase 1: Manual scanning was performed on CSS-block with ideal reflectors (laboratory environment). Tuning of the two NCD parameters was done

  9. An Eulerian-Lagrangian description for fluvial coarse sediment transport: theory and verification with low-cost inertial sensors.

    Science.gov (United States)

    Maniatis, Georgios

    2017-04-01

    =75 mm (C) was released to roll freely in a (> threshold for entrainment) flow and over surfaces of different roughness. Finally, the coarser spherical and elliptical sensor- assemblies (A and B) were deployed in a steep mountain stream during active sediment transport flow conditions. The results include the calculation of the inertial acceleration, the instantaneous particle velocity and the total kinetic energy of the mobile particle (including the rotational component using gyroscope measurements). The comparison of the field deployments with the laboratory experiments suggests that E-L model can be generalised from laboratory to natural conditions. Overall, the inertia of individual coarse particles is a statistically significant effect for all the modes of sediment transport (entrainment, translation, deposition) in both natural and laboratory regimes. Maniatis et. al 2015: "Calculating the Explicit Probability of Entrainment Based on Inertial Acceleration Measurements", J. Hydraulic Engineering, 04016097

  10. (including travel dates) Proposed itinerary

    Indian Academy of Sciences (India)

    Ashok

    31 July to 22 August 2012 (including travel dates). Proposed itinerary: Arrival in Bangalore on 1 August. 1-5 August: Bangalore, Karnataka. Suggested institutions: Indian Institute of Science, Bangalore. St Johns Medical College & Hospital, Bangalore. Jawaharlal Nehru Centre, Bangalore. 6-8 August: Chennai, TN.

  11. Foraminiferal biofacies in the San José Calcareous Silt Member (Manzanilla Formation, Upper Miocene to Lower Pliocene) in the Manzanilla Bay area, north-east Trinidad, and their environmental significance

    Science.gov (United States)

    Wilson, Brent

    2013-10-01

    The Miocene-Pliocene Manzanilla Formation of northern Trinidad marks the arrival of the east-west flowing Orinoco River. Foraminifera were examined quantitatively in samples obtained at ˜5 m intervals from the lowest member of the formation, the San José Calcareous Silt Member, where exposed at eastern Manzanilla Bay and Point Noir. Recovery of Globorotalia merotumida indicates an age within the Globorotalia acostaensis Zone through Globorotalia margaritae evoluta Subzone, (N16-N19). Values of the information function (H) and the percentage of the total assemblage as planktonic foraminifera (%P), both traditionally used as palaeodepth indicators, were uncorrelated. The low values of H are indicative of freshwater influence. Cluster analysis revealed two major biofacies dominated by Pseudononion atlanticum and Hanzawaia carstensi respectively, for which similar values of mean H and mean %P suggest similar, inner to middle neritic palaeodepths, the P. atlanticum Biofacies indicating times of hypoxia. Entrained within these were rarer samples from a biofacies indicative of shallowing and increased freshwater input (Ammonia parkinsonia gr. Biofacies). An Amphistegina gibbosa Biofacies marked an interval in which water because sufficiently clear to support foraminifera symbiotic with algae, while a sample containing only Haplophragmoides wilberti was indicative of intertidal conditions. Some samples containing reddened foraminifera showed that deposition occasionally became very slow, but these were not limited to any one biofacies. The range of palaeodepths in which the San José Calcareous Silt Member was deposited is far less than in the underlying Brasso Formation, indicating that tectonic induction of transgressive-regressive cycles was slighter during San José times.

  12. Dust episodes in Beirut and their effect on the chemical composition of coarse and fine particulate matter.

    Science.gov (United States)

    Jaafar, Malek; Baalbaki, Rima; Mrad, Raya; Daher, Nancy; Shihadeh, Alan; Sioutas, Constantinos; Saliba, Najat A

    2014-10-15

    Particles captured during dust episodes in Beirut originated from both the African and Arabian deserts. This particular air mixture showed an increase, over non-dust episodes, in particle volume distribution which was mostly noticed for particles ranging in sizes between 2.25 and 5 μm. It also resulted in an increase in average mass concentration by 48.5% and 14.6%, for the coarse and fine fractions, respectively. Chemical analysis of major aerosol components accounted for 93% of fine PM and 71% of coarse PM. Crustal material (CM) dominated the coarse PM fraction, contributing to 39 ± 15% of the total mass. Sea salt (SS) (11 ± 10%) and secondary ions (SI) (11 ± 7%) were the second most abundant elements. In the fine fraction, SI (36 ± 14%) were the most abundant PM constituent, followed by organic matter (OM) (33 ± 7%) and CM (13 ± 2%). Enrichment factors (EF) and correlation coefficients show that biogenic and anthropogenic sources contribute to the elemental composition of particles during dust episodes. This study emphasizes on the role played by the long-range transport of aerosols in changing the chemical composition of the organic and inorganic constituents of urban coarse and fine PM. The chemical reactions between aged urban and dust aerosols are enhanced during transport, leading to the formation of organo-nitrogenated and -sulfonated compounds. Their oligomeric morphologies are further confirmed by SEM-EDX measurements. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Diet of southern toads (Bufo terrestris) in loblolly pine (Pinus taeda) stands subject to coarse woody debris manipulations

    Science.gov (United States)

    Kurtis R. Moseley; Steven B. Castleberry; James L. Hanula; W. Mark Ford

    2004-01-01

    In the southeastern United States, coarse woody debris (CWD) typically harbors high densities of invertebrates. However, its importance as a foraging substrate for southeastern amphibians is relatively unknown. We examined effects of CWD manipulations on diet composition of southern toads (Bufo tmrestns) in upland loblolly pine (Pinus taeda) stands...

  14. A field test of point relascope sampling of down coarse woody material in managed stands in the Acadian Forest

    Science.gov (United States)

    John C. Brissette; Mark J. Ducey; Jeffrey H. Gove

    2003-01-01

    We field tested a new method for sampling down coarse woody material (CWM) using an angle gauge and compared it with the more traditional line intersect sampling (LIS) method. Permanent sample locations in stands managed with different silvicultural treatments within the Penobscot Experimental Forest (Maine, USA) were used as the sampling locations. Point relascope...

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

    NARCIS (Netherlands)

    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

  16. Modeling the Self-assembly and Stability of DHPC Micelles using Atomic Resolution and Coarse Grained MD Simulations

    DEFF Research Database (Denmark)

    Kraft, Johan Frederik; Vestergaard, Mikkel; Schiøtt, Birgit

    2012-01-01

    Membrane mimics such as micelles and bicelles are widely used in experiments involving membrane proteins. With the aim of being able to carry out molecular dynamics simulations in environments comparable to experimental conditions, we set out to test the ability of both coarse grained and atomist...

  17. Long-term dynamics of organic matter and elements exported as coarse particulates from two Caribbean montane watersheds

    Science.gov (United States)

    T. Heartsill Scalley; F.N. Scatena; S. Moya; A.E. Lugo

    2012-01-01

    In heterotrophic streams the retention and export of coarse particulate organic matter and associated elements are fundamental biogeochemical processes that influence water quality, food webs and the structural complexity of forested headwater streams. Nevertheless, few studies have documented the quantity and quality of exported organic matter over multiple years and...

  18. Size of Coarse Woody Debris 5 Years After Girdling and Removal Treatments in 50-Year-Old Loblolly Pine Plantations

    Science.gov (United States)

    M. Boyd Edwards

    2004-01-01

    In 1996, a study began at Savannah River Site to investigate large-scale replicated forest areas to control coarse woody debris for integrated biodiversity objectives. Research design was a randomized complete block with four treatments replicated in four blocks, resulting in 16 plots. The treatments applied to 50-year-old loblolly pine stands were (1) control, (2)...

  19. Coarse fraction components in a red-clay sedimemt core, Central Indian Ocean Basin: Their occurrence and significance

    Digital Repository Service at National Institute of Oceanography (India)

    Iyer, S.D.; Fernandes, G.Q.; Mahender, K.

    Coarse Fractions Components of a sediment core (268 cm from a water depth of 5120 m) collected at 18 degrees S and 80 degrees E from the red clay domain in the Central Indian Ocean Basin (CIOB), comprises mineral grains, basaltic fragments...

  20. Malignant lymphomas (including myeloproliferative disorders)

    International Nuclear Information System (INIS)

    Todd, I.D.H.

    1985-01-01

    This chapter deals with the radiotherapy and cytotoxic chemotherapy of the malignant lymphomas. Included within this group are Hodgkin's disease, non-Hodgkin's lymphoma, mycosis fungoides, and chronic lymphatic leukaemia. A further section deals with the myeloproliferative disorders, including granulocytic leukaemia, polycythaemia vera, and primary thrombocythaemia. Excluded are myeloma and reticulum cell sarcoma of bone and acute leukaemia. With regard to Hodgkin's disease, the past 25 years have seen general recognition of the curative potential of radiotherapy, at least in the local stages, and, more recently, awareness of the ability to achieve long-term survival after combination chemotherapy in generalised or in recurrent disease. At the same time the importance of staging has become appreciated and the introduction of procedures such as lymphography, staging laparotomy, and computer tomography (CT) has enormously increased its reliability. Advances have not been so dramatic in the complex group of non-Hodgkins's lymphomas, but are still very real