WorldWideScience

Sample records for included coarse silt

  1. Silt-clay aggregates on Mars

    International Nuclear Information System (INIS)

    Greeley, R.

    1979-01-01

    Viking observations suggest abundant silt and clay particles on Mars. It is proposed that some of these particles agglomerate to form sand size aggregates that are redeposited as sandlike features such as drifts and dunes. Although the binding for the aggregates could include salt cementation or other mechanisms, electrostatic bonding is considered to be a primary force holding the aggregates together. Various laboratory experiments conducted since the 19th century, and as reported here for simulated Martian conditions, show that both the magnitude and sign of electrical charges on windblown particles are functions of particle velocity, shape and composition, atmospheric pressure, atmospheric composition, and other factors. Electrical charges have been measured for saltating particles in the wind tunnel and in the field, on the surfaces of sand dunes, and within dust clouds on earth. Similar, and perhaps even greater, charges are proposed to occur on Mars, which could form aggregates of silt and clay size particles. Electrification is proposed to occur within Martian dust clouds, generating silt-clay aggregates which would settle to the surface where they may be deposited in the form of sandlike structures. By analog, silt-clay dunes are known in many parts of the earth where silt-clay aggregated were transported by saltation and deposited as 'sand.' In these structures the binding forces were later destroyed, and the particles reassumed the physical properties of silt and clay, but the sandlike bedding structure within the 'dunes' was preserved. The bedding observed in drifts at the Viking landing site is suggested to result from a similar process involving silt-clay aggregates on Mars

  2. 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.

  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. Non-cohesive silt turbidity current flow processes; insights from proximal sandy-silt and silty-sand turbidites, Fiordland, New Zealand

    Science.gov (United States)

    Strachan, Lorna J.; Bostock, Helen C.; Barnes, Philip M.; Neil, Helen L.; Gosling, Matthew

    2016-08-01

    Silt-rich turbidites are commonly interpreted as distal marine deposits. They are associated with interlaminated clay and silt deposition from the upper and rear portions of turbidity currents. Here, multibeam bathymetry and shallow sediment core data from the intra-slope Secretary Basin, Fiordland, New Zealand, located laminar) flows that have undergone a variety of up-dip flow transformations. Most flows were initially erosive followed by deposition of partitioned 2- or 3- phase mixed mode flows that include high-density transitional and laminar flows that can be fore- or after-runners to low-density turbulent flow sections. Turbulence is inferred to have been suppressed in high-density flows by increasing flow concentration of both sands and silts. The very fine and fine sand modal grain sizes of sandy-silt and silty-sand turbidites are significantly coarser than classical abyssal plain silt turbidites and are generally coarser than overbank silt turbidites. While the low percentage of clays within Secretary Basin sandy-silt and silty-sand turbidites represents a fundamental difference between these and other silt and mud turbidites, we suggest these beds represent a previously undescribed suite of proximal continental slope deposits.

  5. 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....

  6. Method of treatment of radioactive silts and soils

    International Nuclear Information System (INIS)

    Varlakov, A.P.; Sobolev, I.A.; Barinov, A.S.; Dmitriev, S.A.; Karlin, S.V.; Flit, V.U.

    1997-01-01

    To solve the problem of silts and soils that are contaminated with radioactive and toxic substances, the following method has been developed at SIA RADON. The material is mixed with limestone and other components, including up to 70% (mass) of dried residue of liquid radioactive waste. The mixture is heated at 800 to 1,000 C, shredded, and used to form cement. This cementation process may be used to treat radioactive or other chemical waste. The work demonstrated that in the case of silts, for example, the product volume is reduced by a factor of 1.5 to 3 compared to the initial silts volume. A fast hardening, durable product is obtained, the quality of which is not inferior to that obtained by using the traditional binders. For some parameters, e.g., hardening rate and macroelement leaching, the current method is significantly better than the traditional cementation process. It has also been demonstrated that, over a wide range of parameters, when dry residue of liquid radioactive waste is used in the initial mixture, the part of NO x can be reduced to nitrogen, thereby reducing NO x emissions

  7. 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.

  8. 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

  9. Treatment of radioactive silts and soils with organic materials

    International Nuclear Information System (INIS)

    Sobolev, I.A.; Barinov, A.S.; Dmitriev, S.A.; Lifanov, F.A.; Varlakov, A.P.; Karlin, S.V.

    1997-01-01

    Moscow SIA RADON is developing the ''Clinker'' method to treat radioactive silts and grounds. The ''Clinker'' method consists of radioactive silt (ground) mixed with lime and other components. This mixture is calcined at 800 to 1000 o C. The product is ground to a surface area size of 2500 to 4500 cm 2 /g, mixed with water at a water-to-cement ratio not less than 0.25, and aged to form a solid monolith. The ''Clinker'' method was compared to the traditional cementation methods. The ''Clinker'' method reduces the final volume and enhance the strength characteristics of the final product. The ''Clinker'' cement compound has higher hardening rate. Preliminary data show that it has higher cold resistance, sulfate and leaching corrosion durability in comparison to one prepared by the traditional cementation method. The range of applicability of the ''Clinker'' method is increased by the possibility of treating materials containing up to 80% (mass) of organic materials, such as turf, flora and fauna decomposition products, and manmade material, including natural materials, such as petroleum products and polymers. In addition, the ''Clinker'' method does not require expensive waste binders, i.e., cement. The ''Clinker'' cement can be used for cementation of other radioactive waste. (author)

  10. 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...

  11. 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

  12. Lectures on coarse geometry

    CERN Document Server

    Roe, John

    2003-01-01

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

  13. 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.

  14. 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.

  15. 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...

  16. 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

  17. 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

  18. Coarse graining for synchronization in directed networks

    Science.gov (United States)

    Zeng, An; Lü, Linyuan

    2011-05-01

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

  19. Predictive coarse-graining

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-03-15

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

  20. 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

  1. Methodological spot of establishing silt deposit concentration in Serbian rivers

    Directory of Open Access Journals (Sweden)

    Dragićević Slavoljub

    2007-01-01

    Full Text Available Recent methodology of sampling and establishing silt deposit concentration in Serbian rivers is associated to numerous deficiencies. Daily concentrations of this type of river deposit on the most of the hydrological gauges were obtained on the base of only one measurement, which takes into consideration the matter of representative ness of those samples. Taking the samples of deposit in one point on the profile is little bit problematic because of dispersion of the obtained results. Very important matter is the question of choice of the sampling location. This analyses of data may lead to serious spots in calculating total carried deposit. From the above mentioned reasons, we decided to take precise measurements of silt deposit concentration as well as to establish methodological spots of measurements. The results of these measurements are analyzed and presented in this paper.

  2. A Visual Basic program to classify sediments based on gravel-sand-silt-clay ratios

    Science.gov (United States)

    Poppe, L.J.; Eliason, A.H.; Hastings, M.E.

    2003-01-01

    Nomenclature describing size distributions is important to geologists because grain size is the most basic attribute of sediments. Traditionally, geologists have divided sediments into four size fractions that include gravel, sand, silt, and clay, and classified these sediments based on ratios of the various proportions of the fractions. Definitions of these fractions have long been standardized to the grade scale described by Wentworth (1922), and two main classification schemes have been adopted to describe the approximate relationship between the size fractions.Specifically, according to the Wentworth grade scale gravel-sized particles have a nominal diameter of ⩾2.0 mm; sand-sized particles have nominal diameters from <2.0 mm to ⩾62.5 μm; silt-sized particles have nominal diameters from <62.5 to ⩾4.0 μm; and clay is <4.0 μm. As for sediment classification, most sedimentologists use one of the systems described either by Shepard (1954) or Folk (1954, 1974). The original scheme devised by Shepard (1954) utilized a single ternary diagram with sand, silt, and clay in the corners to graphically show the relative proportions among these three grades within a sample. This scheme, however, does not allow for sediments with significant amounts of gravel. Therefore, Shepard's classification scheme (Fig. 1) was subsequently modified by the addition of a second ternary diagram to account for the gravel fraction (Schlee, 1973). The system devised by Folk (1954, 1974) is also based on two triangular diagrams (Fig. 2), but it has 23 major categories, and uses the term mud (defined as silt plus clay). The patterns within the triangles of both systems differ, as does the emphasis placed on gravel. For example, in the system described by Shepard, gravelly sediments have more than 10% gravel; in Folk's system, slightly gravelly sediments have as little as 0.01% gravel. Folk's classification scheme stresses gravel because its concentration is a function of

  3. Suspended silt concentrations in the lower Olifants River (Mpumalanga and the impact of silt releases from the Phalaborwa Barrage on water quality and fish survival

    Directory of Open Access Journals (Sweden)

    Y. Buermann

    1995-08-01

    Full Text Available Silt loads in the Olifants and Sabie river systems inside the Kruger National Park, were monitored by collecting water samples every consecutive week for a period of 20 months. The variation in silt concentration, changes in selected physico-chemical water quality variables and fish mortalities during flushing (i.e. release of silt, by sluicing of the Phalaborwa Barrage, were also monitored. The Olifants River inside the Kruger National Park carried high silt loads in summer; in the dry season the suspensoid load was greatly reduced. A similar pattern was observed in the Sabie River, but the silt loads were generally lower. It was apparent that silt loads released from the Phalaborwa Barrage led to large variations in the natural silt loads of the Olifants River. These increased amounts of silt (25 000 mg/1 to >70 000 mg/1 caused drastic reductions in the dissolved oxygen concentration of the water, ranging from >6 mg/1 to 0 mg/1. Depending on the severity and duration of the flushing, fish succumb to such silt loads. These findings, as well as published information, indicate that the management strategy of flushing to improve storage capacity is ecological unacceptable. It is therefore suggested that the use of the Phalaborwa Barrage as a future reservoir should be critically re-evaluated.

  4. 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)

  5. 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.

  6. Relation of sortable silt grain-size to deep-sea current speeds: Calibration of the 'Mud Current Meter'

    Science.gov (United States)

    McCave, I. N.; Thornalley, D. J. R.; Hall, I. R.

    2017-09-01

    Fine grain-size parameters have been used for inference of palaeoflow speeds of near-bottom currents in the deep-sea. The basic idea stems from observations of varying sediment size parameters on a continental margin with a gradient from slower flow speeds at shallower depths to faster at deeper. In the deep-sea, size-sorting occurs during deposition after benthic storm resuspension events. At flow speeds below 10-15 cm s-1 mean grain-size in the terrigenous non-cohesive 'sortable silt' range (denoted by SS bar , mean of 10-63 μm) is controlled by selective deposition, whereas above that range removal of finer material by winnowing is also argued to play a role. A calibration of the SS bar grain-size flow speed proxy based on sediment samples taken adjacent to sites of long-term current meters set within 100 m of the sea bed for more than a year is presented here. Grain-size has been measured by either Sedigraph or Coulter Counter, in some cases both, between which there is an excellent correlation for SS bar (r = 0.96). Size-speed data indicate calibration relationships with an overall sensitivity of 1.36 ± 0.19 cm s-1/μm. A calibration line comprising 12 points including 9 from the Iceland overflow region is well defined, but at least two other smaller groups (Weddell/Scotia Sea and NW Atlantic continental rise/Rockall Trough) are fitted by sub-parallel lines with a smaller constant. This suggests a possible influence of the calibre of material supplied to the site of deposition (not the initial source supply) which, if depleted in very coarse silt (31-63 μm), would limit SS bar to smaller values for a given speed than with a broader size-spectrum supply. Local calibrations, or a core-top grain-size and local flow speed, are thus necessary to infer absolute speeds from grain-size. The trend of the calibrations diverges markedly from the slope of experimental critical erosion and deposition flow speeds versus grain-size, making it unlikely that the SS bar (or

  7. 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

  8. 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.

  9. 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)

  10. Coarse mesh code development

    Energy Technology Data Exchange (ETDEWEB)

    Lieberoth, J.

    1975-06-15

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

  11. 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.)

  12. 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

    was simulated using cylindrical cavity expansion in conjunction with a plasticity model formulated within the framework of critical state soil mechanics. The results readily explain the low cone tip resistance measured in silt sediments; this is a derived effect of the silt having a large slope of the critical...... state line, resulting in rather weak and compressible behaviour at high mean effective stresses....

  13. [Effect of suspended silt from dredging at Yangtze estuary on Brachionus plicatilis].

    Science.gov (United States)

    Wang, Jinqui; Xu, Zhaoli; Shi, Chun; Chen, Yaqu

    2002-07-01

    The effect of suspended silt from dredging at Yangtze estuary on Brachionus plicatilis was investigated by clonal culture (to construct life table) and population accumulative culture. The intrinsic increasing rate of the rotifer population was greatly reduced under different concentrations (1, 3, 5, 7 and 9 mg.ml-1) of silt, from 29.6% to 64.1%, and to a maximum of 130.0%. The suspended silt affected population survival rate, rather than its reproduction rate. In accumulative culture, the densities of female, males, parthenogenetic eggs, and resting eggs in the population were not affected by silt. It was concluded that the presence of suspended silt should have a certain negative influence on the rotifer population in dredging Yangtze estuary.

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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.

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

    Science.gov (United States)

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

    2009-12-01

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

  20. 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...

  1. 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

  2. Advance of Wetting Front in Silt Loam Soil

    Directory of Open Access Journals (Sweden)

    Mohamed Mahmood

    2013-04-01

    Full Text Available Under drip irrigation , the plant's root is concentrated inside the wetted bulb (region. Thus, the development of these roots and the plant production are greatly affected by the wetting pattern. Therefore, the wetting pattern of soil under drip irrigation must be taken into consideration in the design of drip irrigation system for both single dripping source or multi-overlapping wetting patterns of dripping water sources.2The aim of this study is to evaluate the effect of initial water content of the soil and spacing between two adjacent dripping sources with different flow rate on the movement of the wetting front.This study included 16 tests for monitoring the advancement of the wetting front with time during and after the water application phase. The water advance and water distribution measurement are carried out for two cases of the soil profile: for the first case with initial volumetric water content of 4.08% and for the second case with initial volumetric water content of 12.24%. Two spacing between the emitter were tested 25cm and 50 cm using application flow rates of 0.606, 1.212, 1.818, and 2.424 cm3 /min/cm to show the combined effect of spacing and flow rate on the performance of two adjacent emitter.The study proposed a method for determining the spacing between the two emitting sources , the water application rate and watering time. The proposed method depends on a wetted zone whose depth is equal to the root zone depth with a values equals to the maximum vertical advance of the wetting front underneath the drip line at time when this depth is equal to the depth of wetting at mid­point between the drip line. the study revealed that both the vertical water advance in soil underneath the emitter and the horizontal advance of the wetting front is larger than those in the case of single emitter.Furthermore, the vertical water advance increases with the decrease spacing between the two drip lines. Also, the horizontal advance of the

  3. 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

  4. 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

  5. Effect of size and concentration of silt particles on erosion of Pelton turbine buckets

    Energy Technology Data Exchange (ETDEWEB)

    Padhy, M.K.; Saini, R.P. [Alternate Hydro Energy Centre, Indian Institute of Technology Roorkee, Roorkee (India)

    2009-10-15

    Erosive wear of hydro turbine runners depends upon different parameters such as size, hardness and concentration of silt particles, velocity of flow, properties of the base material of the turbine components and operating hours of the turbine. Various researchers have conducted experiments to study the effect of these parameters on erosive wear. Most of these experiments were on small-size samples at different types of test rigs to simulate the flow conditions in turbines, however actual flow conditions and the phenomenon of erosive wear are too complex to simulate. Under the present study, effect of these parameters on erosion in actual conditions has been investigated experimentally. An extensive experimental study has been carried out on a small scale Pelton turbine. Based on the experimental data collected for different parameters, correlations have been developed for wear rate of Pelton turbine buckets as a function of critical parameters, i.e., size and concentration of silt particles and jet velocity. (author)

  6. IMPACT OF A USED STABILISER ON THE CALIFORNIA BEARING RATIO OF THE CLAYEY-SANDY SILT

    Directory of Open Access Journals (Sweden)

    Katarzyna Kamińska

    2017-01-01

    Full Text Available The paper aimed at the determination of the California Bearing Ratio of a stabilised and unstabilised fine-grained mineral soil. A clayey-sandy silt with the addition of 3, 6 and 10% of road stabilisers Solidex and Solidex A was used for the tests. The tests were carried out in the press Tritech 50 at the loading of 22 and 44 N. The stabilised samples were subjected to 7-days treatment, whereas unstabilised 4-days treatment. Stabilization with the applied road binders brought positive effects, there occurred a significant improvement in the mechanical properties of the clayey-sandy silt. The better binder, which significantly increased the value of the CBR ratio, was Solidex A. The use of hydraulic binders is of a great importance in road building, because their addition improves the mechanical properties of weaker mineral soils.

  7. 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...... 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...

  8. Hierarchical coarse-graining transform.

    Science.gov (United States)

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

    2009-03-01

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

  9. Interaction of the heavy metals (Cr +6, Cd, Pb, Ni) between the silt and the water column in the case study of Bogota River

    International Nuclear Information System (INIS)

    Pinzon U, L.F.; Rodriguez, J.A.; Giraldo, E.

    1993-01-01

    For the present study the Bogota River it uses as framework, this river has a course of 255 km., in it pathway through 26 municipalities, including the Western area of the District Capital (Bogota). In the District Capital area, some significant sampling points were founded, due to their localization on the bed and that industrial activities of grateful polluting function are developed. Silt samples were extracted and it dilutes for chemical-physical analysis and study to scale; these samples were implanted in columns or reactors; one of characteristic totally anaerobic and another of characteristic aerobic. Of equal forms it procedure is repeated, but replacing the river water for dilution water; every third day the extracted samples are been about agreement with the metal to analyze Chromium IV for the waters, Total Chromium for the silts, Cadmium, Lead and Total Nickel in the column of water and silts to be analyzed by means of Absorption Atomic Spectrophotometry. The object is the one of establishing that exchange type is presented between the polluted water and the water free of contaminants

  10. EXPERIMENTAL DETERMINATION OF VARIABILITY IN PERMEABILITY OF SANDY SILT SOIL MIXED WITH FLY ASH IN PROPORTIONATE

    OpenAIRE

    Rasna Sharma*, Dr. M.K. Trivedi

    2016-01-01

    This paper presents the experimental determination of variability in permeability of sandy silt soil by blending with fly ash. The grain size, porosity, structure of the soil, specific gravity of the soil, viscosity and temperature are important factors in varying the permeability of the soil. Permeability is the flow conduction property of the soil. The void ratio with in the soil plays a vital role in varying the permeability. By blending with finer grains like fly ash in the soil with sand...

  11. IMPACT OF SAND DREDGING AND SILT EXTRACTION ACTIVITY ON RIVER AND ITS CHARACTERISTICS : A REVIEW

    OpenAIRE

    Vishal S. Gholap

    2016-01-01

    The present research work highlights the influences of sand dredging and extensive silt quarrying activity on rivers. The sand dredging activity and its impact on the river processes and other river environment have discussed in the present review paper. It has seen that most of the rivers and their processes are highly degraded and altered due to these activities. In India and almost in the regions of Maharashtra, the ground water is decreasing and such activities also invited the problems ...

  12. 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.

  13. Frequency distribution of ABO and Rh (D) blood group alleles in Silte Zone, Ethiopia

    OpenAIRE

    Kassahun Tesfaye; Yohannes Petros; Mebeaselassie Andargie

    2015-01-01

    Background: Frequency distribution of blood groups is important as it is used in modern medicine, genetic research, anthropology, and tracing ancestral relations of humans. The ABO and Rh blood groups are the most important blood groups despite the long list of several other blood groups discovered so far. Aim of the study: To study and document the frequency of ABO and Rh (D) blood groups in three ethnic groups of Silte Zone, Ethiopia. Subjects and methods: ABO and Rh (D) typing was ca...

  14. 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.

  15. 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.

  16. [Monitoring of water and salt transport in silt and sandy soil during the leaching process].

    Science.gov (United States)

    Fu, Teng-Fei; Jia, Yong-Gang; Guo, Lei; Liu, Xiao-Lei

    2012-11-01

    Water and salt transport in soil and its mechanism is the key point of the saline soil research. The dynamic rule of water and transport in soil during the leaching process is the theoretical basis of formation, flush, drainage and improvement of saline soil. In this study, a vertical infiltration experiment was conducted to monitor the variation in the resistivity of silt and sandy soil during the leaching process by the self-designed automatic monitoring device. The experimental results showed that the peaks in the resistivity of the two soils went down and faded away in the course of leaching. It took about 30 minutes for sandy soil to reach the water-salt balance, whereas the silt took about 70 minutes. With the increasing leaching times, the desalination depth remained basically the same, being 35 cm for sandy soil and 10 cm for the silt from the top to bottom of soil column. Therefore, 3 and 7 leaching processes were required respectively for the complete desalination of the soil column. The temporal and spatial resolution of this monitoring device can be adjusted according to the practical demand. This device can not only achieve the remote, in situ and dynamic monitoring data of water and salt transport, but also provide an effective method in monitoring, assessment and early warning of salinization.

  17. 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.

  18. 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)

  19. Field description of coarse bioclastic fabrics

    Energy Technology Data Exchange (ETDEWEB)

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

    1991-08-01

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

  20. 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...

  1. Development of a radioisotope based silt density gauge for industrial applications

    International Nuclear Information System (INIS)

    Mitra, Anant; Walinjkar, P.B.; Kumar, Umesh; Dash, Ashutosh

    2015-01-01

    Silt density gauge (SDG) is a conventional equipment to gauge the specific gravity or fraction of solids in slurries, oils, food products and process fluids flowing through a pipe. SDG can also be used for measuring density of sediment during dredging operations in Ports. The gauge consists of three major components i.e. radiation source, detector and control unit. The developed prototype of SDG has been tested in a laboratory experimental setup for density measurement of slurry and its performance was evaluated. (author)

  2. 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.

  3. Prediction of strain energy-based liquefaction resistance of sand-silt mixtures: An evolutionary approach

    Science.gov (United States)

    Baziar, Mohammad H.; Jafarian, Yaser; Shahnazari, Habib; Movahed, Vahid; Amin Tutunchian, Mohammad

    2011-11-01

    Liquefaction is a catastrophic type of ground failure, which usually occurs in loose saturated soil deposits under earthquake excitations. A new predictive model is presented in this study to estimate the amount of strain energy density, which is required for the liquefaction triggering of sand-silt mixtures. A wide-ranging database containing the results of cyclic tests on sand-silt mixtures was first gathered from previously published studies. Input variables of the model were chosen from the available understandings evolved from the previous studies on the strain energy-based liquefaction potential assessment. In order to avoid overtraining, two sets of validation data were employed and a particular monitoring was made on the behavior of the evolved models. Results of a comprehensive parametric study on the proposed model are in accord with the previously published experimental observations. Accordingly, the amount of strain energy required for liquefaction onset increases with increase in initial effective overburden pressure, relative density, and mean grain size. The effect of nonplastic fines on strain energy-based liquefaction resistance shows a more complicated behavior. Accordingly, liquefaction resistance increases with increase in fines up to about 10-15% and then starts to decline for a higher increase in fines content. Further verifications of the model were carried out using the valuable results of some downhole array data as well as centrifuge model tests. These verifications confirm that the proposed model, which was derived from laboratory data, can be successfully utilized under field conditions.

  4. Preliminary Assessment of Silting and The Quality of Bottom Sediments in A Small Water Reservoir

    Directory of Open Access Journals (Sweden)

    Bąk Łukasz

    2014-07-01

    Full Text Available The aim of this study was to assess the degree of silting and pollution of bottom sediments in a small water reservoir Lubianka situated in Starachowice, Świętokrzyskie Province, with selected heavy metals (Pb, Cr, Cd, Cu, Ni, Zn, Fe, Mn, Hg. Catchment basin of the reservoir is forested in 92%. Other parts are covered by estates of detached houses, barren lands and green areas. Bathymetric measurements and analyses of trace elements in bottom sediments were made in 2012. After 28 years of exploitation, reservoir's basin accumulated 43 thousand cubic metres of sediments i.e. 4.7% of its initial volume. Mean annual silting rate was 0.17%. Due to the content of copper and chromium, bottom sediments were classified to the II category (sediments of average pollution according to geochemical standards. Concentrations of Pb, Cd and Hg in all analysed samples were below geochemical background. In a sample collected at the inlet to the reservoir, the TEL index for chromium was exceeded by 25.6%. In other samples the threshold values of the TEL and PEL indices were not exceeded.

  5. Learning to Play Efficient Coarse Correlated Equilibria

    KAUST Repository

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

    2018-01-01

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

  6. 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=...

  7. 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...

  8. Coarse Thinking and Pricing a Financial Option

    OpenAIRE

    Siddiqi, Hammad

    2009-01-01

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

  9. Critical undrained shear strength of sand-silt mixtures under monotonic loading

    Directory of Open Access Journals (Sweden)

    Mohamed Bensoula

    2014-07-01

    Full Text Available This study uses experimental triaxial tests with monotonic loading to develop empirical relationships to estimate undrained critical shear strength. The effect of the fines content on undrained shear strength is analyzed for different density states. The parametric analysis indicates that, based on the soil void ratio and fine content properties, the undrained critical shear strength first increases and then decreases as the proportion of fines increases, which demonstrates the influence of fine content on a soil’s vulnerability to liquefaction. A series of monotonic undrained triaxial tests were performed on reconstituted saturated sand-silt mixtures. Beyond 30% fines content, a fraction of the silt participates in the soil’s skeleton chain force. In this context, the concept of the equivalent intergranular void ratio may be an appropriate parameter to express the critical shear strength of the studied soil. This parameter is able to control the undrained shear strength of non-plastic silt and sand mixtures with different densities.   Resumen Este estudio utiliza evaluaciones experimentales triaxiales con cargas repetitivas para desarrollar relaciones empíricas y estimar la tensión crítica de corte bajo condiciones no drenadas. El efecto de contenido de finos en la tensión de corte sin drenar se analizó en diferentes estados de densidad. El análisis paramétrico indica que, basado en la porosidad del suelo y las propiedades del material de finos, la tensión de corte sin drenar primero se incrementa y luego decrece mientras la proporción de finos aumenta, lo que demuestra la influencia de contenido de finos en la vulnerabilidad del suelo a la licuación. Una serie de las evaluaciones se realizó en  mezclas rehidratadas y saturadas de arena y cieno. Más allá del 30 % de los contenidos finos, una fracción del cieno hace parte principal de la cadena de fuerza del suelo. En este contexto, el concepto de porosidad equivalente

  10. 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.

  11. 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......Solute transport through the soil matrix is heterogeneous and greatly affected by soil texture, soil structure, and macropore networks. This study examined the relationship between tracer breakthrough characteristics, soil hydraulic properties, and basic soil properties. Hundred...... of the soil structure rather than the actual formation of macropores causing preferential flow. The arrival times of 5 % and up to 50 % of the tracer mass were found to be strongly correlated with volumetric fines content. The hereby predicted tracer concentration breakthrough points up to 50% of applied...

  12. Lagoon Sediment Dynamics: A Coupled Model to Study a Medium-Term Silting of Tidal Channels

    Directory of Open Access Journals (Sweden)

    Marco Petti

    2018-04-01

    Full Text Available The silting of tidal channels is a natural process that affects several shallow lagoons and makes it difficult to navigate, requiring regular maintenance interventions. This phenomenon is the result of the complex non-linear interaction between tidal currents and wave motion. In this work, the morphodynamic evolution of the Marano and Grado lagoon is investigated by means of a two-dimensional horizontal (2DH morphological-hydrodynamic and a spectral coupled model. An innovative procedure to reproduce the overall bathymetric changes in the medium term and, in particular, the volumes deposited inside channels, is presented. An average year with a sequence of winds and tides acting over that time was reconstructed, carrying out cross correlation techniques and spectral analyses of measured data. The predicted morphological evolution matches the annual dredged volumes in the lagoon critical branches and shows the distribution of erosion and deposition of cohesive sediments according to spatially variable values of critical shear stress.

  13. 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.

  14. 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....

  15. 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.

  16. Coarse sediment oil persistence laboratory studies and model

    International Nuclear Information System (INIS)

    Humphrey, B.; Harper, J.R.

    1993-01-01

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

  17. Modelling airborne dispersion of coarse particulate material

    International Nuclear Information System (INIS)

    Apsley, D.D.

    1989-03-01

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

  18. 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

  19. 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

  20. The Martini Coarse-Grained Force Field

    NARCIS (Netherlands)

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

    2013-01-01

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

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

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

    Science.gov (United States)

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

    2016-04-01

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

  3. Hybrid continuum-coarse-grained modeling of erythrocytes

    Science.gov (United States)

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

    2018-06-01

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

  4. 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.

  5. 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.

  6. 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

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

    KAUST Repository

    Rachman, Rinaldi; Ghaffour, NorEddine; Wali, F.; Amy, Gary L.

    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.

  8. 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

  9. 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.

  10. 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.

  11. 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

  12. 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.)

  13. Coarse graining flow of spin foam intertwiners

    Science.gov (United States)

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

    2016-12-01

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

  14. Measuring Crack Length in Coarse Grain Ceramics

    Science.gov (United States)

    Salem, Jonathan A.; Ghosn, Louis J.

    2010-01-01

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

  15. Application of micron X-ray CT based on micro-PIXE to investigate the distribution of Cs in silt particles for environmental remediation in Fukushima Prefecture

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, Keizo, E-mail: keizo.ishii@qse.tohoku.ac.jp [Research Center for Remediation Engineering of Environments Contaminated with Radioisotopes, Graduate School of Engineering, Tohoku University, 6-6-01-2, Aramaki Aza-Aoba, Aoba-ku, Sendai 980-8579 (Japan); Hatakeyama, Taisuke; Itoh, Shin; Sata, Daichi [Department of Quantum Science and Energy Engineering, Tohoku University, 6-6-01-2, Aramaki Aza-Aoba, Aoba-ku, Sendai 980-8579 (Japan); Ohnuma, Tohru; Yamaguchi, Toshiro; Arai, Hiromu; Arai, Hirotsugu [Research Center for Remediation Engineering of Environments Contaminated with Radioisotopes, Graduate School of Engineering, Tohoku University, 6-6-01-2, Aramaki Aza-Aoba, Aoba-ku, Sendai 980-8579 (Japan); Matsuyama, Shigeo; Terakawa, Atsuki; Kim, Seong-Yun [Department of Quantum Science and Energy Engineering, Tohoku University, 6-6-01-2, Aramaki Aza-Aoba, Aoba-ku, Sendai 980-8579 (Japan)

    2016-03-15

    We used X-ray computed tomography (CT) using characteristic X-rays produced in micro-particle-induced X-ray emission (PIXE) to investigate the internal structure of silt particles and develop new methods to decontaminate soil containing radioactive cesium. We obtained 3D attenuation coefficient images of silt particles with a diameter of approximately 100 μm for V K and Cr K X-rays. Owing to the absorption edges of the Cs L-shell, the differences between the V K and Cr K X-ray images revealed the spatial distribution of Cs atoms in the silt particles. Cs atoms were distributed over the surfaces of the silt particles to a thickness of approximately 10 μm. This information is useful for the decontamination of silt contaminated by radiation from the Fukushima Daiichi nuclear disaster.

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

    International Nuclear Information System (INIS)

    He, Hongtao; Yue, Qinyan; Su, Yuan; Gao, Baoyu; Gao, Yue; Wang, Jingzhou; Yu, Hui

    2012-01-01

    Highlights: ► The best condition was red mud content of 40% and sintering at 1050 °C for 2 h. ► Bricks’ weight loss was caused by the removal of absorbed water and crystal water. ► Bricks’ sintering shrinkage depended on the sodium and iron compounds of red mud. ► 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 °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.

  17. Silt and gas accumulation beneath an artificial recharge spreading basin, Southwestern Utah, U.S.A.

    Science.gov (United States)

    Heilweil, V.M.; Solomon, D.K.; Ortiz, G.

    2009-01-01

    Sand Hollow Reservoir in southwestern Utah, USA, is operated for both surface-water storage and artificial recharge to the underlying Navajo Sandstone. The total volume of estimated artificial recharge between 2002 and 2007 is 85 million cubic meters (69,000 acre-feet). Since 2002, artificial recharge rates have generally been declining and are inversely correlated with the increasing surface area of the reservoir. Permeability testing of core samples retrieved from beneath the reservoir indicates that this decline may not be due to silt accumulation. Artificial recharge rates also show much seasonal variability. Calculations of apparent intrinsic permeability show that these variations can only partly be explained by variation in water viscosity associated with seasonal changes in water temperature. Sporadic seasonal trends in recharge rates and intrinsic permeability during 2002-2004 could be associated with the large fluctuations in reservoir elevation and wetted area. From 2005 through 2007, the reservoir was mostly full and there has been a more consistent seasonal pattern of minimum recharge rates during the summer and maximum rates during the autumn. Total dissolved-gas pressure measurements indicate the presence of biogenic gas bubbles in the shallow sediments beneath the shallower parts of Sand Hollow Reservoir when the water is warmer. Permeability reduction associated with this gas clogging may contribute to the decrease in artificial recharge rates during the spring and summer, with a subsequently increasing recharge rates in the autumn associated with a decline in volume of gas bubbles. Other possible causes for seasonal variation in artificial recharge rates require further investigation.

  18. 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.

  19. 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

    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...

  20. 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.

  1. 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.

  2. 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.

  3. Carbon sequestration in clay and silt fractions of Brazilian soils under conventional and no-tillage systems

    Directory of Open Access Journals (Sweden)

    Cecília Estima Sacramento dos Reis

    2014-08-01

    Full Text Available The capacity of soils to sequestrate carbon (C is mainly related to the formation of organo-mineral complexes. In this study, we investigated the influence of soil management systems on the C retention capacity of soil with an emphasis on the silt and clay fractions of two subtropical soils with different mineralogy and climate. Samples from a Humic Hapludox and a Rhodic Hapludox, clayey soils cultivated for approximately 30 years under no-tillage (NT and conventional tillage (CT were collected from six layers distributed within 100-cm soil depth from each site and from an adjacent native forest. After the removal of particulate organic matter (POM, the suspension (<53 µm was sonicated, the silt and clay fractions were separated in accordance with Stokes' law and the carbon content of whole soil and physical fractions was determined. In the Humic Hapludox, the clay and silt fractions under NT showed a higher maximum C retention (72 and 52 g kg-1, respectively in comparison to those under CT (54 and 38 g kg-1, respectively. Moreover, the C concentration increase in both fractions under NT occurred mainly in the topsoil (up to 5 cm. The C retention in physical fractions of Rhodic Hapludox varied from 25 to 32 g kg-1, and no difference was observed whether under an NT or a CT management system. The predominance of goethite and gibbsite in the Humic Hapludox, as well as its exposure to a colder climate, may have contributed to its greater C retention capacity. In addition to the organo-mineral interaction, a mechanism of organic matter self-assemblage, enhanced by longer periods of soil non-disturbance, seems to have contributed to the carbon stabilization in both soils.

  4. Testing for entanglement with periodic coarse graining

    Science.gov (United States)

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

    2018-04-01

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

  5. Combined mild soil washing and compost-assisted phytoremediation in treatment of silt loams contaminated with copper, nickel, and chromium.

    Science.gov (United States)

    Sung, Menghau; Lee, Chi-Yi; Lee, Suen-Zone

    2011-06-15

    A new soil remediation option, combining the soil washing process using pure water followed by the compost-assisted phytoextraction, is evaluated using silt loams contaminated with plating wastewater containing Cu, Ni, and Cr. Plants utilized in this study are the rapeseeds, sunflowers, tomatoes, and soapworts. Phytoextraction operation was carried out in pot experiments over a period of 4 months. Metal concentrations in roots and shoots of plants were analyzed upon completion of each pot experiment. Hypothesis testing was employed in assessing the significance of difference in the experimental data. Results indicated that the rapeseed, a hyperaccumulator, is most effective in extracting metals from the compost-amended silt loams. The fast-growing sunflowers and tomatoes are comparable to rapeseeds in accumulating metals despite their relatively low metal concentrations in tissues. Bioaccumulation coefficients obtained for all plants are less than one, indicating that phytostabilization rather than phytoextraction is the dominant mechanism at this simulated final-phase condition. Copyright © 2011 Elsevier B.V. All rights reserved.

  6. Motivations to leave coarse woody debris in private forests

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  7. 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...

  8. Critical length sampling: a method to estimate the volume of downed coarse woody debris

    Science.gov (United States)

    G& #246; ran St& #229; hl; Jeffrey H. Gove; Michael S. Williams; Mark J. Ducey

    2010-01-01

    In this paper, critical length sampling for estimating the volume of downed coarse woody debris is presented. Using this method, the volume of downed wood in a stand can be estimated by summing the critical lengths of down logs included in a sample obtained using a relascope or wedge prism; typically, the instrument should be tilted 90° from its usual...

  9. 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.

  10. De Sitter stability and coarse graining

    International Nuclear Information System (INIS)

    Markkanen, T.

    2018-01-01

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

  11. De Sitter stability and coarse graining

    Energy Technology Data Exchange (ETDEWEB)

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

    2018-02-15

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

  12. Thermodynamic forces in coarse-grained simulations

    Science.gov (United States)

    Noid, William

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

  13. 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.

  14. 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.

  15. 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.

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

    Science.gov (United States)

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

    2014-01-01

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

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

    KAUST Repository

    Wei, Chunhai; Laborie, Sté phanie; Ben Aï m, Roger M.; Amy, Gary L.

    2012-01-01

    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

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

    International Nuclear Information System (INIS)

    Padding, J T; Briels, W J

    2011-01-01

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

  19. 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.

  20. Property A and Coarse Embedding for Locally Compact Groups

    DEFF Research Database (Denmark)

    Li, Kang

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

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

    Indian Academy of Sciences (India)

    Rajat Desikan

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

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

    KAUST Repository

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

    2015-01-01

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

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

    DEFF Research Database (Denmark)

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

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

  4. Coarse-mesh rebalancing acceleration for eigenvalue problems

    International Nuclear Information System (INIS)

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

    1974-01-01

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

  5. 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 ...

  6. 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.

  7. 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...

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

    OpenAIRE

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

    2016-01-01

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

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

    NARCIS (Netherlands)

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

    2005-01-01

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

  10. Coarse-grained simulation of polymer-filler blends

    Science.gov (United States)

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

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

  11. 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

  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. 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

  15. 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

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

    Science.gov (United States)

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

    2017-11-01

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

  17. 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.

  18. Moving beyond Watson-Crick models of coarse grained DNA dynamics.

    Science.gov (United States)

    Linak, Margaret C; Tourdot, Richard; Dorfman, Kevin D

    2011-11-28

    DNA produces a wide range of structures in addition to the canonical B-form of double-stranded DNA. Some of these structures are stabilized by Hoogsteen bonds. We developed an experimentally parameterized, coarse-grained model that incorporates such bonds. The model reproduces many of the microscopic features of double-stranded DNA and captures the experimental melting curves for a number of short DNA hairpins, even when the open state forms complicated secondary structures. We demonstrate the utility of the model by simulating the folding of a thrombin aptamer, which contains G-quartets, and strand invasion during triplex formation. Our results highlight the importance of including Hoogsteen bonding in coarse-grained models of DNA.

  19. Renormalization and Coarse-graining of Loop Quantum Gravity

    OpenAIRE

    Charles, Christoph

    2017-01-01

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

  20. 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

  1. Characterization of coarse particulate matter in school gyms

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-05-15

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

  2. 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

  3. Coarse-grained debris flow dynamics on erodible beds

    Science.gov (United States)

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

    2017-03-01

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

  4. Generalized coarse-grained Becker-Doering equations

    International Nuclear Information System (INIS)

    Bolton, Colin D; Wattis, Jonathan A D

    2003-01-01

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

  5. 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 (

  6. Free-energy coarse-grained potential for C60

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  7. Coarse graining of atactic polystyrene and its derivatives

    Science.gov (United States)

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

    2014-03-01

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

  8. 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.

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

    NARCIS (Netherlands)

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

    2017-01-01

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

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

    Science.gov (United States)

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

    1994-01-01

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

  11. 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)

  12. Loop overhead reduction techniques for coarse grained reconfigurable architectures

    NARCIS (Netherlands)

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

    2017-01-01

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

  13. Time evolution as refining, coarse graining and entangling

    International Nuclear Information System (INIS)

    Dittrich, Bianca; Steinhaus, Sebastian

    2014-01-01

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

  14. Time evolution as refining, coarse graining and entangling

    Science.gov (United States)

    Dittrich, Bianca; Steinhaus, Sebastian

    2014-12-01

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

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

    Science.gov (United States)

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

    2012-01-01

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

  16. 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 ...

  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....... Further, for the non-stationary term, the virtual mass coefficient will be derived....

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

    NARCIS (Netherlands)

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

    2007-01-01

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

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

    NARCIS (Netherlands)

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

    2017-01-01

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

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

    NARCIS (Netherlands)

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

    2009-01-01

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

  1. Coarse-grain modelling of protein-protein interactions

    NARCIS (Netherlands)

    Baaden, Marc; Marrink, Siewert J.

    2013-01-01

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

  2. 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)

  3. 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)

  4. 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.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  6. MISTICA: Minimum Spanning Tree-Based Coarse Image Alignment for Microscopy Image Sequences.

    Science.gov (United States)

    Ray, Nilanjan; McArdle, Sara; Ley, Klaus; Acton, Scott T

    2016-11-01

    Registration of an in vivo microscopy image sequence is necessary in many significant studies, including studies of atherosclerosis in large arteries and the heart. Significant cardiac and respiratory motion of the living subject, occasional spells of focal plane changes, drift in the field of view, and long image sequences are the principal roadblocks. The first step in such a registration process is the removal of translational and rotational motion. Next, a deformable registration can be performed. The focus of our study here is to remove the translation and/or rigid body motion that we refer to here as coarse alignment. The existing techniques for coarse alignment are unable to accommodate long sequences often consisting of periods of poor quality images (as quantified by a suitable perceptual measure). Many existing methods require the user to select an anchor image to which other images are registered. We propose a novel method for coarse image sequence alignment based on minimum weighted spanning trees (MISTICA) that overcomes these difficulties. The principal idea behind MISTICA is to reorder the images in shorter sequences, to demote nonconforming or poor quality images in the registration process, and to mitigate the error propagation. The anchor image is selected automatically making MISTICA completely automated. MISTICA is computationally efficient. It has a single tuning parameter that determines graph width, which can also be eliminated by the way of additional computation. MISTICA outperforms existing alignment methods when applied to microscopy image sequences of mouse arteries.

  7. 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)

  8. 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)

  9. Characterization of coarse particulate matter in school gyms.

    Science.gov (United States)

    Braniš, Martin; Šafránek, Jiří

    2011-05-01

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

  10. 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

  11. 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

  12. 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.

  13. 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...

  14. 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

  15. 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

  16. 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

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

  18. 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.

  19. Linear mixing model applied to coarse resolution satellite data

    Science.gov (United States)

    Holben, Brent N.; Shimabukuro, Yosio E.

    1992-01-01

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

  20. 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

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

    KAUST Repository

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

    2017-01-01

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

  4. Innovations in the flotation of fine and coarse particles

    Science.gov (United States)

    Fornasiero, D.; Filippov, L. O.

    2017-07-01

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

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

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  6. Superplastic behavior of coarse-grained aluminum alloys

    NARCIS (Netherlands)

    Chezan, AR; De Hosson, JTM

    2005-01-01

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

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

    Science.gov (United States)

    Wachtel, Artur; Rao, Riccardo; Esposito, Massimiliano

    2018-04-01

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

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

    Science.gov (United States)

    Sahoo; Arakha; Sarkar; P; Jha

    2016-01-01

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

  9. Parametrizing coarse grained models for molecular systems at equilibrium

    KAUST Repository

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

    2016-01-01

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

  10. 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.

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

    Science.gov (United States)

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

    2016-06-01

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

  12. Experimental investigation of coarse particle conveying in pipes

    Directory of Open Access Journals (Sweden)

    Vlasak Pavel

    2015-01-01

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

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

    OpenAIRE

    Purnomo Heru; Pamudji Gandjar; Satim Madsuri

    2017-01-01

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

  14. 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.

  15. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-09-15

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

  17. Effect of the heat curing on strength development of self-compacting mortars containing calcined silt of dams and Ground Brick Waste

    Directory of Open Access Journals (Sweden)

    B. Safi

    2013-01-01

    Full Text Available The strength development of self-compacting mortars (SCM containing calcined silt (CS and ground brick waste (GWB was investigated. The variables are the nature of addition (CS and GWB in the binder and the heat curing at different temperatures (20 ºC and 60 ºC at 7 and 14 days of curing. Two temperatures 20 and 60 ºC were applied to samples with intermediate levels (depending on the drying method applied to precast for 18 hours in total. In this study, a Portland cement (CEMII, Calcined silt (750 ºC for 5 hours, ground waste brick, were used in the binders of SCM. The results show that the compressive strength to 14 days of mortars, increases with annealing (60 ºC compared to that measured at 20 ºC. Also, values of compressive strength of mortars at 14 days that are close to those obtained without 28 days curing treatment. Indeed, a strength gain of about 20.5% and 27.3% was obtained respectively for the SCM with GWB and the SCM with CS. However, a small change in mass recorded for both types of mortars.

  18. 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.

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

    International Nuclear Information System (INIS)

    Romstedt, P.; Werner, W.

    1977-01-01

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

  20. 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.

  1. 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.

  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. An exactly solvable coarse-grained model for species diversity

    Science.gov (United States)

    Suweis, Samir; Rinaldo, Andrea; Maritan, Amos

    2012-07-01

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

  5. 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.

  6. 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)

  7. 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.

  8. On the Effect of Sphere-Overlap on Super Coarse-Grained Models of Protein Assemblies

    Science.gov (United States)

    Degiacomi, Matteo T.

    2018-05-01

    Ion mobility mass spectrometry (IM/MS) can provide structural information on intact protein complexes. Such data, including connectivity and collision cross sections (CCS) of assemblies' subunits, can in turn be used as a guide to produce representative super coarse-grained models. These models are constituted by ensembles of overlapping spheres, each representing a protein subunit. A model is considered plausible if the CCS and sphere-overlap levels of its subunits fall within predetermined confidence intervals. While the first is determined by experimental error, the latter is based on a statistical analysis on a range of protein dimers. Here, we first propose a new expression to describe the overlap between two spheres. Then we analyze the effect of specific overlap cutoff choices on the precision and accuracy of super coarse-grained models. Finally, we propose a method to determine overlap cutoff levels on a per-case scenario, based on collected CCS data, and show that it can be applied to the characterization of the assembly topology of symmetrical homo-multimers. [Figure not available: see fulltext.

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

    Science.gov (United States)

    García Vivanco, Marta; González, M. Angeles

    2014-05-01

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

  10. HUMAL ALVEOLAR MACROPHAGE RESPONSES TO AIR POLLUTION PARTICULATES ARE ASSOCIATED WITH INSOLUBLE OCMPONENTS OF COARSE MATERIAL, INCLUDING PARTICULATE ENDOTOXIN

    Science.gov (United States)

    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...

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

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

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

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

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

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

  13. Effect of forest harvesting best management practices on coarse woody debris distribution in stream and riparian zones in three Appalachian watersheds

    Science.gov (United States)

    J. M. McClure; R. K. Kolka; A. White

    2004-01-01

    The distribution of coarse woody debris (CWD) was analyzed in three Appalachian watersheds in eastern Kentucky, eighteen years after harvest. The three watersheds included an unharvested control (Control), a second watershed with best management practices (BMPs) applied that included a 15.2 m unharvested zone near the stream (BMP watershed), and a third watershed that...

  14. 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

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

  15. 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

  16. 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

  17. Field application of a multi-frequency acoustic instrument to monitor sediment for silt erosion study in Pelton turbine in Himalayan region, India

    Science.gov (United States)

    Rai, A. K.; Kumar, A.; Hies, T.; Nguyen, H. H.

    2016-11-01

    High sediment load passing through hydropower components erodes the hydraulic components resulting in loss of efficiency, interruptions in power production and downtime for repair/maintenance, especially in Himalayan regions. The size and concentration of sediment play a major role in silt erosion. The traditional process of collecting samples manually to analyse in laboratory cannot suffice the need of monitoring temporal variation in sediment properties. In this study, a multi-frequency acoustic instrument was applied at desilting chamber to monitor sediment size and concentration entering the turbine. The sediment size and concentration entering the turbine were also measured with manual samples collected twice daily. The samples collected manually were analysed in laboratory with a laser diffraction instrument for size and concentration apart from analysis by drying and filtering methods for concentration. A conductivity probe was used to calculate total dissolved solids, which was further used in results from drying method to calculate suspended solid content of the samples. The acoustic instrument was found to provide sediment concentration values similar to drying and filtering methods. However, no good match was found between mean grain size from the acoustic method with the current status of development and laser diffraction method in the first field application presented here. The future versions of the software and significant sensitivity improvements of the ultrasonic transducers are expected to increase the accuracy in the obtained results. As the instrument is able to capture the concentration and in the future most likely more accurate mean grain size of the suspended sediments, its application for monitoring silt erosion in hydropower plant shall be highly useful.

  18. Recent developments in the ROCS/MC code for retrieving local power information in coarse-mesh reactor analysis

    International Nuclear Information System (INIS)

    Grill, S.F.; Jonsson, A.; Crump, M.W.

    1983-01-01

    The inclusion of 3-D effects in PWR analysis is necessary for accurate predictions of reactivity, power distributions, and reactivity coefficients. The ROCS/MC code system has been developed by Combustion Engineering to provide 3-D coarse mesh analysis (ROCS) with the capability to retrieve local information on flux, power and burnup (MC). A review of the finite difference representation of the MC diffusion equation, along with recent improvements to the ROCS/MC system are presented. These improvements include the implementation if fine mesh radial boundary conditions and internal calculation of coarse mesh boundary conditions, generalization of the imbedded calculation to account for the local neighboring environment, and the automation of ROCS/MC links to C-E's code system for in-core power distribution monitoring and core-follow analysis. The results of the ROCS/MC verification program are described and show good agreement with C-E's ROCS/PDQ based methodologies

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

    International Nuclear Information System (INIS)

    Nakata, H.

    1982-01-01

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

  20. 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)

  1. 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)

  2. 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)

  3. 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)

  4. 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.

  5. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-12-31

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

  7. Coarse-graining as a downward causation mechanism

    Science.gov (United States)

    Flack, Jessica C.

    2017-11-01

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

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

    Directory of Open Access Journals (Sweden)

    B. González-Fonteboa

    2018-04-01

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

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

    DEFF Research Database (Denmark)

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

    2013-01-01

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

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

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  11. 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.

  12. 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.

  13. Coarse mesh and one-cell block inversion based diffusion synthetic acceleration

    Science.gov (United States)

    Kim, Kang-Seog

    DSA (Diffusion Synthetic Acceleration) has been developed to accelerate the SN transport iteration. We have developed solution techniques for the diffusion equations of FLBLD (Fully Lumped Bilinear Discontinuous), SCB (Simple Comer Balance) and UCB (Upstream Corner Balance) modified 4-step DSA in x-y geometry. Our first multi-level method includes a block Gauss-Seidel iteration for the discontinuous diffusion equation, uses the continuous diffusion equation derived from the asymptotic analysis, and avoids void cell calculation. We implemented this multi-level procedure and performed model problem calculations. The results showed that the FLBLD, SCB and UCB modified 4-step DSA schemes with this multi-level technique are unconditionally stable and rapidly convergent. We suggested a simplified multi-level technique for FLBLD, SCB and UCB modified 4-step DSA. This new procedure does not include iterations on the diffusion calculation or the residual calculation. Fourier analysis results showed that this new procedure was as rapidly convergent as conventional modified 4-step DSA. We developed new DSA procedures coupled with 1-CI (Cell Block Inversion) transport which can be easily parallelized. We showed that 1-CI based DSA schemes preceded by SI (Source Iteration) are efficient and rapidly convergent for LD (Linear Discontinuous) and LLD (Lumped Linear Discontinuous) in slab geometry and for BLD (Bilinear Discontinuous) and FLBLD in x-y geometry. For 1-CI based DSA without SI in slab geometry, the results showed that this procedure is very efficient and effective for all cases. We also showed that 1-CI based DSA in x-y geometry was not effective for thin mesh spacings, but is effective and rapidly convergent for intermediate and thick mesh spacings. We demonstrated that the diffusion equation discretized on a coarse mesh could be employed to accelerate the transport equation. Our results showed that coarse mesh DSA is unconditionally stable and is as rapidly convergent

  14. Theoretical Model for Stabilization of Clay-Silt Airport Pavement Subgrade Systems. Phase 1. Laboratory Investigation. Phase 2. Rutting Tests

    Science.gov (United States)

    1989-05-01

    size, gradation, reactivity , plasticity index, pH concentration, degree of drainage, ratio of calcium to magnesium ions, ratio of silica to...many were proprietary. The best of stabilizers include Quaternary amines, AM-9 chemical grout, phosphoric acid, lignin and cellulose derivatives, sodium...strong or weak alkalies . It is soluble in aromatic and chlorinated hydrocarbons, a strong negative factor to be considered in its candidacy as a

  15. Anomalous g-Factors for Charged Leptons in a Fractional Coarse-Grained Approach

    International Nuclear Information System (INIS)

    Helayël-Neto, J. A.; Weberszpil, J.

    2014-01-01

    We here propose to extend the concept of helicity to include it in a fractional scenario and we write down the left- and the right-handed Weyl equations from first principles in this extended framework. Next, by coupling the different fractional Weyl sectors by means of a mass parameter, we arrive at the fractional version of Dirac's equation which, whenever coupled to an external electromagnetic field and reduced to the nonrelativistic regime, yields a fractional Pauli-type equation. From the latter, we are able to present an explicit expression for the gyromagnetic ratio of charged fermions in terms of the fractionality parameter. We then focus our efforts to relate the coarse-grained property of space-time to fractionality and to the (g-2) anomalies of the different leptonic species

  16. 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.

  17. 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.

  18. 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

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

    Science.gov (United States)

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

    2013-10-01

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

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

    Science.gov (United States)

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

    2014-01-01

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

  1. 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...

  2. 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

  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. Efficiency of contour benches, filling-in and silting-up of a hillside reservoir in a semi-arid climate in Tunisia

    Science.gov (United States)

    Baccari, Noamen; Boussema, Mohamed Rached; Lamachère, Jean-Marie; Nasri, Slah

    2008-01-01

    The El Gouazine catchment area (18.1 km 2), located in semi-arid central Tunisia (average annual rainfall 350 mm), was equipped with total retention contour benches on 43% of its surface area between June 1996 and July 1997. In order to analyze the efficiency of these benches on the catchment area, different thematic maps (slope, lithology, land use, hydrographic network) were crossed using GIS with a map that located the benches and their breaks. Specific topographical surveys were also carried out on a series of 14 benches' in order to characterize the development of their holding capacities. To evaluate the impact of the contour bench installation on the catchment area, the change of liquid and solid inflow was measured at the catchment area outlet two years before and eight years after the bench installation. On-site surveys showed that contour bench dysfunction in the El Gouazine catchment area could not have been caused by man. However, three main physical causes could explain the dysfunction: placement of benches on gypsum clay soils, location of breaks on the hydrographic network, and slope greater than 25%. Topographic surveys showed that the benches initial holding capacity varied between 1 and 3 m 3 per linear metre for a construction standard fixed at 2.28 m 3. These surveys also showed that, nine years after their construction, the benches had lost 10 to 50% of their initial holding capacity. After installing benches in the El Gouazine catchment area, solid inflow was only reduced by 30%, whereas liquid inflow was reduced seven to eight times during a four-year period, which greatly limited the possibility of downstream irrigation. Annual runoff coefficients, at 4.5% before bench installation, were again at 5.1% in 2002-2003, and the silting-up rate was evaluated, in June 2005, as identical to its value before installation. Bench breakage and silting up of upstream canals explain these changes. The results of this study should serve to improve contour

  5. 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

  6. 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.

  7. 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.

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

    Science.gov (United States)

    Sayar, Mehmet; Dalgicdir, Cahit; Ramezanghorbani, Farhad

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

  9. 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.

  10. 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.

  11. 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.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

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

    International Nuclear Information System (INIS)

    Ceres, N.; Lavery, R.

    2015-01-01

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

  14. 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.

  15. 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.

  16. 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.

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

    Science.gov (United States)

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

    2016-12-01

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

  18. 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.

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

    Science.gov (United States)

    Deng, Mingsen; Shen, Hujun

    2016-02-04

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

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

    International Nuclear Information System (INIS)

    Wojtowicz, G.; Holloway, J.P.

    1995-01-01

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

  1. 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.

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

    Science.gov (United States)

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

    2006-01-01

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

  3. 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.

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

    Science.gov (United States)

    Hsu, Tai-Wen; Lai, Jian-Wu

    2013-04-01

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

  5. 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

  6. Can coarse surface layers in gravel-bedded rivers be mobilized by finer gravel bedload?

    Science.gov (United States)

    Venditti, J. G.; Dietrich, W. E.; Nelson, P. A.; Wydzga, M. A.; Fadde, J.; Sklar, L.

    2005-12-01

    approximately equal to the supply rate. Once the pulse has passed through the flume, bedload flux rapidly drops to background values, leaving few introduced grains on the bed. When the sediment feed is the median grain size of the subsurface bed material mixture, few armor grains are mobilized, although there is some exchange between the surface and bedload. Pulses composed of the fine tail of the surface grain size distribution are capable of mobilizing all grain sizes in the armor (including the largest grains) as finer bedload fills the interstices of the coarse surface layer. This suggests that gravel augmentation using fine gravel may provide an effective means of improving bed mobility conditions. Further experiments are underway to explore the effects of repeated fine gravel addition on bed state.

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  8. 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.

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

    Science.gov (United States)

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

    2017-09-01

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

  10. Revised Soil Classification System for Coarse-Fine Mixtures

    KAUST Repository

    Park, Junghee; Santamarina, Carlos

    2017-01-01

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

  11. 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.

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

    Directory of Open Access Journals (Sweden)

    Animesh Agarwal

    2017-09-01

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

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

    Science.gov (United States)

    Katsoulakis, Markos A.; Vlachos, Dionisios G.

    2003-11-01

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

  14. 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

  15. 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

  16. 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

  17. 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.

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

    Science.gov (United States)

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

    2018-05-01

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

  19. 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

  20. 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.

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

    International Nuclear Information System (INIS)

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

    1975-09-01

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

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

    International Nuclear Information System (INIS)

    Bahr, Benjamin; Dittrich, Bianca; He Song

    2011-01-01

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

  3. UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics.

    Science.gov (United States)

    Czaplewski, Cezary; Karczynska, Agnieszka; Sieradzan, Adam K; Liwo, Adam

    2018-04-30

    A server implementation of the UNRES package (http://www.unres.pl) for coarse-grained simulations of protein structures with the physics-based UNRES model, coined a name UNRES server, is presented. In contrast to most of the protein coarse-grained models, owing to its physics-based origin, the UNRES force field can be used in simulations, including those aimed at protein-structure prediction, without ancillary information from structural databases; however, the implementation includes the possibility of using restraints. Local energy minimization, canonical molecular dynamics simulations, replica exchange and multiplexed replica exchange molecular dynamics simulations can be run with the current UNRES server; the latter are suitable for protein-structure prediction. The user-supplied input includes protein sequence and, optionally, restraints from secondary-structure prediction or small x-ray scattering data, and simulation type and parameters which are selected or typed in. Oligomeric proteins, as well as those containing D-amino-acid residues and disulfide links can be treated. The output is displayed graphically (minimized structures, trajectories, final models, analysis of trajectory/ensembles); however, all output files can be downloaded by the user. The UNRES server can be freely accessed at http://unres-server.chem.ug.edu.pl.

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

    Science.gov (United States)

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

    2014-03-01

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

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

    Science.gov (United States)

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

    2016-04-12

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

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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; PMPM7-2.5 by subtracting PM2.5 from SPM to account for coarse particles. We then used conditional logistic regression to estimate odds ratios (ORs) and 95 confidence intervals (CIs). Same-day PM2.5 and PM7-2.5 were independently associated with all-cause and cause-specific mortality related to cardiovascular and respiratory diseases; for example, both pollutants were positively associated with increased risk of all-cause mortality even after simultaneous adjustment for each pollutant: OR of 1.006 (95% CI: 1.003, 1.009) for PM2.5 and 1.016 (95% CI: 1.011, 1.022) for PM7-2.5. Even below concentrations stipulated by the Japanese air quality guidelines for PM2.5 and SPM (PM7), we observed adverse health effects. This study provides further evidence that acute exposure to PM2.5 and coarse particles is associated with increased risk of mortality among older people. Rigorous evaluation of air quality guidelines for daily average PM2.5 and larger particles should be continued. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. New seismograph includes filters

    Energy Technology Data Exchange (ETDEWEB)

    1979-11-02

    The new Nimbus ES-1210 multichannel signal enhancement seismograph from EG and G geometrics has recently been redesigned to include multimode signal fillers on each amplifier. The ES-1210F is a shallow exploration seismograph for near subsurface exploration such as in depth-to-bedrock, geological hazard location, mineral exploration, and landslide investigations.

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

    Science.gov (United States)

    Farrell, Kathryn; Oden, J. Tinsley

    2014-07-01

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

  14. Responses of plant available water and forest productivity to variably layered coarse textured soils

    Science.gov (United States)

    Huang, Mingbin; Barbour, Lee; Elshorbagy, Amin; Si, Bing; Zettl, Julie

    2010-05-01

    Reforestation is a primary end use for reconstructed soils following oil sands mining in northern Alberta, Canada. Limited soil water conditions strongly restrict plant growth. Previous research has shown that layering of sandy soils can produce enhanced water availability for plant growth; however, the effect of gradation on these enhancements is not well defined. The objective of this study was to evaluate the effect of soil texture (gradation and layering) on plant available water and consequently on forest productivity for reclaimed coarse textured soils. A previously validated system dynamics (SD) model of soil moisture dynamics was coupled with ecophysiological and biogeochemical processes model, Biome-BGC-SD, to simulate forest dynamics for different soil profiles. These profiles included contrasting 50 cm textural layers of finer sand overlying coarser sand in which the sand layers had either a well graded or uniform soil texture. These profiles were compared to uniform profiles of the same sands. Three tree species of jack pine (Pinus banksiana Lamb.), white spruce (Picea glauce Voss.), and trembling aspen (Populus tremuloides Michx.) were simulated using a 50 year climatic data base from northern Alberta. Available water holding capacity (AWHC) was used to identify soil moisture regime, and leaf area index (LAI) and net primary production (NPP) were used as indices of forest productivity. Published physiological parameters were used in the Biome-BGC-SD model. Relative productivity was assessed by comparing model predictions to the measured above-ground biomass dynamics for the three tree species, and was then used to study the responses of forest leaf area index and potential productivity to AWHC on different soil profiles. Simulated results indicated soil layering could significantly increase AWHC in the 1-m profile for coarse textured soils. This enhanced AWHC could result in an increase in forest LAI and NPP. The increased extent varied with soil

  15. Cyclic steps and superimposed antidune deposits: important elements of coarse-grained deepwater channel-levée complexes

    Science.gov (United States)

    Lang, Joerg; Brandes, Christian; Winsemann, Jutta

    2017-04-01

    The facies distribution and architecture of submarine fans can be strongly impacted by erosion and deposition by supercritical density flows. We present field examples from the Sandino Forearc Basin (southern Central America), where cyclic-step and antidune deposits represent important sedimentary facies of coarse-grained channel-levée complexes. These bedforms occur in all sub-environments of the depositional systems and relate to the different stages of avulsion, bypass, levée construction and channel backfilling. Large-scale scours (18 to 29 m deep, 18 to 25 m wide, 60 to >120 m long) with an amalgamated infill, comprising massive, normally coarse-tail graded or spaced subhorizontally stratified conglomerates and pebbly sandstones, are interpreted as deposits of the hydraulic-jump zone of cyclic steps. These cyclic steps probably formed during avulsion, when high-density flows were routed into the evolving channel. The large-scale scour fills can be distinguished from small-scale channel fills based on the preservation of a steep upper margin and a coarse-grained infill comprising mainly amalgamated hydraulic-jump deposits. Channel fills include repetitive successions deposited by cyclic steps with superimposed antidunes. The hydraulic-jump zone of cyclic-step deposits comprises regularly spaced scours (0.2 to 2.6 m deep, 0.8 to 23 m wide), which are infilled by intraclast-rich conglomerates or pebbly sandstones and display normal coarse-tail grading or backsets. Laterally and vertically these deposits are associated with subhorizontally stratified, low-angle cross-stratified or sinusoidal stratified pebbly sandstones and sandstones (wavelength 0.5 to 18 m), interpreted as representing antidune deposits formed on the stoss-side of the cyclic steps during flow re-acceleration. The field examples indicate that so-called crudely or spaced stratified deposits may commonly represent antidune deposits with varying stratification styles controlled by the aggradation

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

    Directory of Open Access Journals (Sweden)

    J. T. Kelly

    2010-04-01

    . Modeled sodium concentration is biased low and causes under-prediction of coarse particle nitrate. Also, CMAQ over-predicts geometric mean diameter and standard deviation of particle modes at the BRACE sites. These over-predictions may cause too rapid particle dry deposition and partially explain the low bias in sodium predictions. Despite these shortcomings, the updates to CMAQ enable more realistic simulations of chemical processes in environments where marine air mixes with urban pollution. The model updates described in this article are included in the public release of CMAQv4.7 (http://www.cmaq-model.org.

  17. Analytic device including nanostructures

    KAUST Repository

    Di Fabrizio, Enzo M.; Fratalocchi, Andrea; Totero Gongora, Juan Sebastian; Coluccio, Maria Laura; Candeloro, Patrizio; Cuda, Gianni

    2015-01-01

    A device for detecting an analyte in a sample comprising: an array including a plurality of pixels, each pixel including a nanochain comprising: a first nanostructure, a second nanostructure, and a third nanostructure, wherein size of the first nanostructure is larger than that of the second nanostructure, and size of the second nanostructure is larger than that of the third nanostructure, and wherein the first nanostructure, the second nanostructure, and the third nanostructure are positioned on a substrate such that when the nanochain is excited by an energy, an optical field between the second nanostructure and the third nanostructure is stronger than an optical field between the first nanostructure and the second nanostructure, wherein the array is configured to receive a sample; and a detector arranged to collect spectral data from a plurality of pixels of the array.

  18. Saskatchewan resources. [including uranium

    Energy Technology Data Exchange (ETDEWEB)

    1979-09-01

    The production of chemicals and minerals for the chemical industry in Saskatchewan are featured, with some discussion of resource taxation. The commodities mentioned include potash, fatty amines, uranium, heavy oil, sodium sulfate, chlorine, sodium hydroxide, sodium chlorate and bentonite. Following the successful outcome of the Cluff Lake inquiry, the uranium industry is booming. Some developments and production figures for Gulf Minerals, Amok, Cenex and Eldorado are mentioned.

  19. Stormwater quality performance of a macro-pervious pavement car park installation equipped with channel drain based oil and silt retention devices.

    Science.gov (United States)

    Newman, Alan Paul; Aitken, Douglas; Antizar-Ladislao, Blanca

    2013-12-15

    This paper reports the results of a two year field monitoring exercise intended to investigate the pollution abatement capabilities of a novel system which offers an alternative to the, now well established, pervious pavement system as a source control device for stormwater management. The aim of this study was to determine the effectiveness of a live installation of a macro-pervious pavement system (MPPS) (operated as a visitors' car park at a prison in Central Scotland) in retaining and treating a range of pollutants which originate from automobile use or become concentrated on the parking surface from the wider environment. The MPPS is a sub-class of pervious pavement system where the vast majority of the surface is impermeable. It directs stormwater into a pervious sub surface storage/attenuation zone through a series of distinct infiltration points fast enough to prevent flooding during the design storm. In the particular system studied here the infiltration points consist of a network of oil/silt separation devices with extensive further pollutant retention/degradation provided during the passage of stormwater through the sub surface zone. Approximately 12 months after the car park was completed a sampling regime was instigated in which grab samples were collected at intervals from each of the three sub catchments whilst, simultaneously, samples were collected directly from the, pollutant retaining, infiltration devices. Through investigation of samples collected at the upstream end of the system, the retention of significant amounts of hydrocarbons and heavy metals in the initial collection devices has been illustrated and the analysis of effluent samples collected at the outlet points indicate that the system is capable of producing effluent which is of a standard comparable to that expected from a traditional pervious pavement system and is acceptable for direct release into a surface water receptor. The system offers the opportunity to accrue the benefits

  20. Vertical hydraulic conductivity of a clayey-silt aquitard: accelerated fluid flow in a centrifuge permeameter compared with in situ conditions

    Science.gov (United States)

    Timms, W. A.; Crane, R.; Anderson, D. J.; Bouzalakos, S.; Whelan, M.; McGeeney, D.; Rahman, P. F.; Guinea, A.; Acworth, R. I.

    2014-03-01

    Evaluating the possibility of leakage through low permeability geological strata is critically important for sustainable water supplies, extraction of fuels from strata such as coal beds, and confinement of waste within the earth. Characterizing low or negligible flow rates and transport of solutes can require impractically long periods of field or laboratory testing, but is necessary for evaluations over regional areas and over multi-decadal timescales. The current work reports a custom designed centrifuge permeameter (CP) system, which can provide relatively rapid and reliable hydraulic conductivity (K) measurement compared to column permeameter tests at standard gravity (1g). Linear fluid velocity through a low K porous sample is linearly related to g-level during a CP flight unless consolidation or geochemical reactions occur. The CP module is designed to fit within a standard 2 m diameter, geotechnical centrifuge with a capacity for sample dimensions of 30 to 100 mm diameter and 30 to 200 mm in length. At maximum RPM the resultant centrifugal force is equivalent to 550g at base of sample or a total stress of ~2 MPa. K is calculated by measuring influent and effluent volumes. A custom designed mounting system allows minimal disturbance of drill core samples and a centrifugal force that represents realistic in situ stress conditions is applied. Formation fluids were used as influent to limit any shrink-swell phenomena which may alter the resultant K value. Vertical hydraulic conductivity (Kv) results from CP testing of core from the sites in the same clayey silt formation varied (10-7 to 10-9 m s-1, n = 14) but higher than 1g column permeameter tests of adjacent core using deionized water (10-9 to 10-11 m s-1, n = 7). Results at one site were similar to in situ Kv values (3 × 10-9 m s-1) from pore pressure responses within a 30 m clayey sequence in a homogenous area of the formation. Kv sensitivity to sample heterogeneity was observed, and anomalous flow via

  1. Sun-Direction Estimation Using a Partially Underdetermined Set of Coarse Sun Sensors

    Science.gov (United States)

    O'Keefe, Stephen A.; Schaub, Hanspeter

    2015-09-01

    A comparison of different methods to estimate the sun-direction vector using a partially underdetermined set of cosine-type coarse sun sensors (CSS), while simultaneously controlling the attitude towards a power-positive orientation, is presented. CSS are commonly used in performing power-positive sun-pointing and are attractive due to their relative inexpensiveness, small size, and reduced power consumption. For this study only CSS and rate gyro measurements are available, and the sensor configuration does not provide global triple coverage required for a unique sun-direction calculation. The methods investigated include a vector average method, a combination of least squares and minimum norm criteria, and an extended Kalman filter approach. All cases are formulated such that precise ground calibration of the CSS is not required. Despite significant biases in the state dynamics and measurement models, Monte Carlo simulations show that an extended Kalman filter approach, despite the underdetermined sensor coverage, can provide degree-level accuracy of the sun-direction vector both with and without a control algorithm running simultaneously. If no rate gyro measurements are available, and rates are partially estimated from CSS, the EKF performance degrades as expected, but is still able to achieve better than 10∘ accuracy using only CSS measurements.

  2. 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.

  3. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-08-15

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

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

    Science.gov (United States)

    Poblete, Simón; Bottaro, Sandro; Bussi, Giovanni

    2018-02-28

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

  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. VARIABILIDADE ESPACIAL DE ARGILA, SILTE E ATRIBUTOS QUÍMICOS EM UMA PARCELA EXPERIMENTAL DE UM LATOSSOLO ROXO DE CAMPINAS (SP

    Directory of Open Access Journals (Sweden)

    SIDNEY ROSA VIEIRA

    1997-01-01

    Full Text Available A grande maioria dos ensaios de manejo e fertilidade do solo utiliza o método de delineamentos experimentais, segundo o qual as observações devem ser independentes umas das outras e as parcelas experimentais, uniformes quanto aos atributos estudados. A hipótese de independência entre as amostras apenas pode ser satisfeita e verificada na prática, se a amostragem contiver informações geográficas, como, por exemplo, as coordenadas com referências a um eixo arbitrário para possibilitar análises da geoestatística. O objetivo deste trabalho foi estudar a variabilidade espacial de alguns atributos químicos e granulométricos do solo dentro de uma parcela experimental e mostrar o uso da geoestatística para analisar os dados. O campo estudado localiza-se no Centro Experimental de Campinas do Instituto Agronômico, Campinas (SP, em um latossolo roxo distrófico sob preparo convencional nos últimos dez anos. Marcou-se uma parcela de 30 m por 30 m a cada 5 m em duas direções, resultando em um reticulado quadrado de 49 pontos de amostragem. Em cada ponto, coletaram-se amostras de solo das camadas 0-25 cm e 25-50 cm de profundidade, as quais foram levadas ao laboratório, secas ao ar, peneiradas em uma malha de 2 mm e submetidas às análises granulométricas e químicas de rotina para obter teor de argila, teor de silte, delta pH, soma de bases (S, capacidade de troca catiônica (CTC e saturação por bases (V%. Para a análise de variabilidade espacial, utilizou-se a geoestatística. Os coeficientes de variação encontrados são mais altos na camada 0-25 cm do que na 25-50 cm, provavelmente devido à região de maior alteração com cultivo. Foi encontrada dependência espacial para todos os atributos analisados para a camada 0-25 cm, e dependência fraca para a camada 25-50 cm. Considerando que o campo engloba apenas uma área de 30 m por 30 m, conclui-se que a variabilidade encontrada para os atributos químicos do solo foi grande e

  8. Being Included and Excluded

    DEFF Research Database (Denmark)

    Korzenevica, Marina

    2016-01-01

    Following the civil war of 1996–2006, there was a dramatic increase in the labor mobility of young men and the inclusion of young women in formal education, which led to the transformation of the political landscape of rural Nepal. Mobility and schooling represent a level of prestige that rural...... politics. It analyzes how formal education and mobility either challenge or reinforce traditional gendered norms which dictate a lowly position for young married women in the household and their absence from community politics. The article concludes that women are simultaneously excluded and included from...... community politics. On the one hand, their mobility and decision-making powers decrease with the increase in the labor mobility of men and their newly gained education is politically devalued when compared to the informal education that men gain through mobility, but on the other hand, schooling strengthens...

  9. Analytic Coarse-Mesh Finite-Difference Method Generalized for Heterogeneous Multidimensional Two-Group Diffusion Calculations

    International Nuclear Information System (INIS)

    Garcia-Herranz, Nuria; Cabellos, Oscar; Aragones, Jose M.; Ahnert, Carol

    2003-01-01

    In order to take into account in a more effective and accurate way the intranodal heterogeneities in coarse-mesh finite-difference (CMFD) methods, a new equivalent parameter generation methodology has been developed and tested. This methodology accounts for the dependence of the nodal homogeneized two-group cross sections and nodal coupling factors, with interface flux discontinuity (IFD) factors that account for heterogeneities on the flux-spectrum and burnup intranodal distributions as well as on neighbor effects.The methodology has been implemented in an analytic CMFD method, rigorously obtained for homogeneous nodes with transverse leakage and generalized now for heterogeneous nodes by including IFD heterogeneity factors. When intranodal mesh node heterogeneity vanishes, the heterogeneous solution tends to the analytic homogeneous nodal solution. On the other hand, when intranodal heterogeneity increases, a high accuracy is maintained since the linear and nonlinear feedbacks on equivalent parameters have been shown to be as a very effective way of accounting for heterogeneity effects in two-group multidimensional coarse-mesh diffusion calculations

  10. Rb-Sr geochronology of coarse-grained greywackes and argillites from the Coffs Harbour Block, eastern Australia

    International Nuclear Information System (INIS)

    Graham, I.J.; Korsch, R.J.

    1985-01-01

    The Coffs Harbour Block, eastern Australia, includes a sequence of turbidity-current-deposited greywackes and argillites dominated by quartz-poor to quartz-intermediate, volcanic-lithic and feldspathic types. The rocks have a common provenance consisting of dacite with minor andesite and rhyolite, derived from a continental margin volcanic arc. Rb-Sr whole-rock dating of coarse-grained greywackes and argillites suggests that low-grade regional metamorphism (prehnite-pumpellyite to lowest greenschist facies) has completely equilibrated sediments of all grain sizes, giving an age of 318 +- 8 Ma. A subsequent metamorphism which produced thermal biotite on a regional scale over the southern part of the area, re-equilibrated only the fine-grained sediments 238 +- 5 Ma ago; the coarse-grained sediments were unaffected isotopically and still lie on the older isochron. The wide variations in sandstone petrographic modes imply that the older isochron represents neither the age of volcanism in the magmatic arc nor the age of sedimentation at the deposition site, but rather dates the time of earlier metamorphism. (orig.)

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

    Science.gov (United States)

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

    2015-10-16

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

  12. 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.

  13. 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.

  14. Technological possibilities for increasing coarse coal yield in the Staszic mine

    Energy Technology Data Exchange (ETDEWEB)

    Sikora, W; Major, M

    1985-06-01

    Experiments carried out in the Staszic underground black coal mine in Upper Silesia showed that there is a correlation of coarse coal yield and yield strength of shield supports used at longwall faces. The faces were equipped with Pioma 25-45, Fazos 15-31 and Fazos 19-32 shield supports, KWB 3RDU shearer loaders and Rybnik chain conveyors. Pressure of oil in water emulsion used in the Pioma 25/45 shield supports was reduced from the recommended 30 MPa to 15 MPa or to 10 MPa. Reducing emulsion pressure (and support yield strength) caused an increase in coarse coal yield. Coarse coal yield was also increased by use of Fazos 19/32 shield supports with reduced yield strength. During the tests coarse coal yield increased 1.68% and 2.65%. Test results are shown in 3 diagrams. Investigations carried out in the Staszic mine in 1983 showed that by optimizing yield strength of shield supports coarse coal yield could be increased 2 to 8%. 6 references.

  15. 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.

  16. Horizontal Residual Mean Circulation: Evaluation of Spatial Correlations in Coarse Resolution Ocean Models

    Science.gov (United States)

    Li, Y.; McDougall, T. J.

    2016-02-01

    Coarse resolution ocean models lack knowledge of spatial correlations between variables on scales smaller than the grid scale. Some researchers have shown that these spatial correlations play a role in the poleward heat flux. In order to evaluate the poleward transport induced by the spatial correlations at a fixed horizontal position, an equation is obtained to calculate the approximate transport from velocity gradients. The equation involves two terms that can be added to the quasi-Stokes streamfunction (based on temporal correlations) to incorporate the contribution of spatial correlations. Moreover, these new terms do not need to be parameterized and is ready to be evaluated by using model data directly. In this study, data from a high resolution ocean model have been used to estimate the accuracy of this HRM approach for improving the horizontal property fluxes in coarse-resolution ocean models. A coarse grid is formed by sub-sampling and box-car averaging the fine grid scale. The transport calculated on the coarse grid is then compared to the transport on original high resolution grid scale accumulated over a corresponding number of grid boxes. The preliminary results have shown that the estimate on coarse resolution grids roughly match the corresponding transports on high resolution grids.

  17. The basis of orientation decoding in human primary visual cortex: fine- or coarse-scale biases?

    Science.gov (United States)

    Maloney, Ryan T

    2015-01-01

    Orientation signals in human primary visual cortex (V1) can be reliably decoded from the multivariate pattern of activity as measured with functional magnetic resonance imaging (fMRI). The precise underlying source of these decoded signals (whether by orientation biases at a fine or coarse scale in cortex) remains a matter of some controversy, however. Freeman and colleagues (J Neurosci 33: 19695-19703, 2013) recently showed that the accuracy of decoding of spiral patterns in V1 can be predicted by a voxel's preferred spatial position (the population receptive field) and its coarse orientation preference, suggesting that coarse-scale biases are sufficient for orientation decoding. Whether they are also necessary for decoding remains an open question, and one with implications for the broader interpretation of multivariate decoding results in fMRI studies. Copyright © 2015 the American Physiological Society.

  18. 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)

  19. Coarse-mesh discretized low-order quasi-diffusion equations for subregion averaged scalar fluxes

    International Nuclear Information System (INIS)

    Anistratov, D. Y.

    2004-01-01

    In this paper we develop homogenization procedure and discretization for the low-order quasi-diffusion equations on coarse grids for core-level reactor calculations. The system of discretized equations of the proposed method is formulated in terms of the subregion averaged group scalar fluxes. The coarse-mesh solution is consistent with a given fine-mesh discretization of the transport equation in the sense that it preserves a set of average values of the fine-mesh transport scalar flux over subregions of coarse-mesh cells as well as the surface currents, and eigenvalue. The developed method generates numerical solution that mimics the large-scale behavior of the transport solution within assemblies. (authors)

  20. 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.

  1. The Andatza coarse-grained turbidite system (westernmost Pyrenees: Stratigraphy, sedimentology and structural control

    Directory of Open Access Journals (Sweden)

    A. Bodego

    2017-06-01

    Full Text Available This is a field-based work that describes the stratigraphy and sedimentology of the Andatza Conglomerate Formation. Based on facies analysis three facies associations of a coarse-grained turbidite system and the related slope have been identified: (1 an inner fan of a turbidite system (or canyon and (2 a low- and (3 a high-gradient muddy slope respectively. The spatial distribution of the facies associations and the palaeocurrent analysis allow to interpret a depositional model for the Andatza Conglomerates consisting of an L-shaped, coarse-grained turbidite system, whose morphology was structurally controlled by synsedimentary basement-involved normal faults. The coarse-grained character of the turbidite system indicates the proximity of the source area, with the presence of a narrow shelf that fed the turbidite canyon from the north.

  2. 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.

  3. 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

  4. Fine-coarse semantic processing in schizophrenia: a reversed pattern of hemispheric dominance.

    Science.gov (United States)

    Zeev-Wolf, Maor; Goldstein, Abraham; Levkovitz, Yechiel; Faust, Miriam

    2014-04-01

    Left lateralization for language processing is a feature of neurotypical brains. In individuals with schizophrenia, lack of left lateralization is associated with the language impairments manifested in this population. Beeman׳s fine-coarse semantic coding model asserts left hemisphere specialization in fine (i.e., conventionalized) semantic coding and right hemisphere specialization in coarse (i.e., non-conventionalized) semantic coding. Applying this model to schizophrenia would suggest that language impairments in this population are a result of greater reliance on coarse semantic coding. We investigated this hypothesis and examined whether a reversed pattern of hemispheric involvement in fine-coarse semantic coding along the time course of activation could be detected in individuals with schizophrenia. Seventeen individuals with schizophrenia and 30 neurotypical participants were presented with two word expressions of four types: literal, conventional metaphoric, unrelated (exemplars of fine semantic coding) and novel metaphoric (an exemplar of coarse semantic coding). Expressions were separated by either a short (250 ms) or long (750 ms) delay. Findings indicate that whereas during novel metaphor processing, controls displayed a left hemisphere advantage at 250 ms delay and right hemisphere advantage at 750 ms, individuals with schizophrenia displayed the opposite. For conventional metaphoric and unrelated expressions, controls showed left hemisphere advantage across times, while individuals with schizophrenia showed a right hemisphere advantage. Furthermore, whereas individuals with schizophrenia were less accurate than control at judging literal, conventional metaphoric and unrelated expressions they were more accurate when judging novel metaphors. Results suggest that individuals with schizophrenia display a reversed pattern of lateralization for semantic coding which causes them to rely more heavily on coarse semantic coding. Thus, for individuals with

  5. 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.

  6. Dynamics of Coarse Woody Debris Characteristics in the Qinling Mountain Forests in China

    Directory of Open Access Journals (Sweden)

    Jie Yuan

    2017-10-01

    Full Text Available Coarse woody debris (CWD is an essential component in defining the structure and function of forest ecosystems. Long-term dynamics of CWD characteristics not only affect the release rates of chemical elements from CWD, but also the species diversity of inhabiting plants, animals, insects, and microorganisms as well as the overall health of ecosystems. However, few quantitative studies have been done on the long-term dynamics of CWD characteristics in forest ecosystems in China. In this study, we conducted nine tree censuses between 1996 and 2016 at the Huoditang Experimental Forest in the Qinling Mountains of China. We quantified forest biomass including CWD and CWD characteristics such as decay states and diameter classes during this period and correlated with stand, site, and climatic variables. The forest biomass was dominated by live tree biomass (88%; followed by CWD mass (6%–10%. Understory biomass contributed only a small portion (1%–4% of the overall biomass. Significant differences in average annual increment of CWD mass were found among forest stands of different species (p < 0.0001. Forest biomass, stand age, forest type, aspect, slope, stand density, annual average temperature, and precipitation were all significantly correlated with CWD mass (p < 0.05, with forest type exhibiting the strongest correlation (r2 = 0.8256. Over time, the annual mass of different CWD characteristics increased linearly from 1996–2016 across all forest types. Our study revealed that forest biomass, including CWD characteristics, varied by forest type. Stand and site characteristics (forest biomass, forest type, aspect, slope and stand density along with temperature and precipitation played a major role in the dynamics of CWD in the studied forest ecosystems.

  7. A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate

    Science.gov (United States)

    Zeman, Johannes; Uhlig, Frank; Smiatek, Jens; Holm, Christian

    2017-12-01

    We present a coarse-grained polarizable molecular dynamics force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]). For the treatment of electronic polarizability, we employ the Drude model. Our results show that the new explicitly polarizable force field reproduces important static and dynamic properties such as mass density, enthalpy of vaporization, diffusion coefficients, or electrical conductivity in the relevant temperature range. In situations where an explicit treatment of electronic polarizability might be crucial, we expect the force field to be an improvement over non-polarizable models, while still profiting from the reduction of computational cost due to the coarse-grained representation.

  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. Exact CTP renormalization group equation for the coarse-grained effective action

    International Nuclear Information System (INIS)

    Dalvit, D.A.; Mazzitelli, F.D.

    1996-01-01

    We consider a scalar field theory in Minkowski spacetime and define a coarse-grained closed time path (CTP) effective action by integrating quantum fluctuations of wavelengths shorter than a critical value. We derive an exact CTP renormalization group equation for the dependence of the effective action on the coarse-graining scale. We solve this equation using a derivative expansion approach. Explicit calculation is performed for the λφ 4 theory. We discuss the relevance of the CTP average action in the study of nonequilibrium aspects of phase transitions in quantum field theory. copyright 1996 The American Physical Society

  10. 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.

  11. 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.

  12. Effects of coarse-graining on the scaling behavior of long-range correlated and anti-correlated signals

    OpenAIRE

    Xu, Yinlin; Ma, Qianli D.Y.; Schmitt, Daniel T.; Bernaola-Galván, Pedro; Ivanov, Plamen Ch.

    2011-01-01

    We investigate how various coarse-graining methods affect the scaling properties of long-range power-law correlated and anti-correlated signals, quantified by the detrended fluctuation analysis. Specifically, for coarse-graining in the magnitude of a signal, we consider (i) the Floor, (ii) the Symmetry and (iii) the Centro-Symmetry coarse-graining methods. We find, that for anti-correlated signals coarse-graining in the magnitude leads to a crossover to random behavior at large scales, and th...

  13. Two coarse pyroclastic flow deposits, northern Mono-Inyo Craters, CA

    Science.gov (United States)

    Dennen, R. L.; Bursik, M. I.; Stokes, P. J.; Lagamba, M.; Fontanella, N.; Hintz, A. R.; Jayko, A. S.

    2010-12-01

    The ~1350 A.D., rhyolitic North Mono eruption, Mono-Inyo Craters, CA, included the extrusion and destruction of Panum Dome and associated clastic deposits. Overlying the tephras of the North Mono sequence, the Panum deposits include a block-and-ash flow (BAF) deposit, covering ~3.5 km2. Blocks within the deposit are typically lithic rhyolite and banded gray micro-vesicular glass, showing white, almost powdery marks ranging from circular to linear in shape. These marks are interpreted as friction marks resulting from collisions between clasts. The deposit also contains bread-crusted obsidians with pressed-in clasts as well as reticulite with a bread-crusted surface texture. Near the centerline of the deposit is a ridge-topping train of jigsaw fractured blocks, often with reddish-orange alteration. One house sized jigsaw block sits upstream of a long, thinning pile of reddish orange debris; this “flow shadow” indicates that the block remained relatively stationary while the block and ash flow continued to propagate around it. The bread-crusted reticulite is most common at proximal localities. It is proposed that the dome destruction included a debris avalanche emplacing the train of jigsaw fractured blocks and creating a topographic high, the block-and-ash flow (the farthest reaching deposit from this event) which flowed around the debris avalanche deposits, and a final “lateral expansion” of a magma foam, creating the reticulite seen concentrated at proximal locations. Another coarse pyroclastic flow (here termed the “lower blast deposit”) underlies the North Mono tephra. It is more obsidian rich and finer grained than the Panum BAF. The lower blast deposit may have originated from Pumice Pit vent, which is now capped with an older dome ~0.5 km southeast of Panum. The lower blast deposit extends farther from the Panum vent than does the Panum BAF deposit, and apparently was mistaken for the Panum BAF deposit by previous workers. Hence the run

  14. 7 CFR 457.113 - Coarse grains crop insurance provisions.

    Science.gov (United States)

    2010-01-01

    ..., including but not limited to protein and oil, will not be considered. Planted acreage—In addition to the..., Bosque, Johnson, Tarrant, Wise, Cooke Counties, Texas, and all Texas counties lying south and east..., Johnson, Tarrant, Wise, Cooke Counties, Texas, and all Texas counties lying south and east thereof to and...

  15. 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.

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

    Science.gov (United States)

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

    2011-08-01

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

  17. Accumulation and connectivity of coarse woody debris in partial harvest and unmanaged relict forests.

    Directory of Open Access Journals (Sweden)

    Robert C Morrissey

    Full Text Available When a tree dies, it continues to play an important ecological role within forests. Coarse woody debris (CWD, including standing deadwood (SDW and downed deadwood (DDW, is an important functional component of forest ecosystems, particularly for many dispersal-limited saproxylic taxa and for metapopulation dynamics across landscapes. Processes, such as natural disturbance or management, modify forest composition and structure, thereby influencing CWD abundance and distribution. Many studies have compared older forests to forests managed with even-aged silvicultural systems and observed a prolonged period of low CWD occurrence after harvesting. With fine-scale spatial data, our study compares the long-term impacts of light partial harvesting on the CWD structure of eastern deciduous hardwood forests. We mapped and inventoried DDW and SDW using variable radius plots based on a 10 m × 10 m grid throughout an unmanaged, structurally-complex relict forest and two nearby forests that were partially harvested over 46 years ago. The relict stand had significantly larger individual pieces and higher accumulations of DDW and SDW than both of the partially harvested stands. Connectivity of CWD was much higher in the relict stand, which had fewer, larger patches. Larger pieces and higher proportion of decay-resistant species (e.g. Quercus spp. in the relict forest resulted in slower decomposition, greater accumulation and increased connectivity of CWD. Partial harvests, such that occur with selection forestry, are generally considered less disruptive of ecosystem services, but this study highlights the long-term impacts of even light partial harvests on CWD stocks and distribution. When planning harvesting events, forest managers should also consider alternative methods to ensure the sustainability of deadwood resources and function.

  18. Coarse woody debris carbon storage across a mean annual temperature gradient in tropical montane wet forest

    Science.gov (United States)

    Darcey K. Iwashita; Creighton M. Litton; Christian P. Giardina

    2013-01-01

    Coarse woody debris (CWD; defined here as fallen and standing dead trees and tree ferns) is a critical structural and functional component of forest ecosystems that typically comprises a large proportion of total aboveground carbon (C) storage. However, CWD estimates for the tropics are uncommon, and little is known about how C storage in CWD will respond to climate...

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

    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.

  20. 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...

  1. 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...

  2. 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%,...

  3. Role of Neutral Lipids in Tear Fluid Lipid Layer: Coarse-Grained Simulation Study

    DEFF Research Database (Denmark)

    Telenius, J.; Koivuniemi, A.; Kulovesi, P.

    2012-01-01

    Tear fluid lipid layer (TFLL) residing at the air-water interface of tears has been recognized to play an important role in the development of dry eye syndrome. Yet, the composition, structure, and mechanical properties of TFLL are only partly known. Here, we report results of coarse...

  4. 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

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  6. 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.

  7. 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

    .e., using 10 Gbps technology)? (2) What is the long-term cost of coarse-grained designs? We define a power-aware mixed integer linear programming (MILP) formulation based on actual modular architectures where modules are upgraded as the network traffic increases. We introduce, for the first time, important...

  8. 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

  9. 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...

  10. 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

  11. 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:

  12. 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.

  13. 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...

  14. Critical point relascope sampling for unbiased volume estimation of downed coarse woody debris

    Science.gov (United States)

    Jeffrey H. Gove; Michael S. Williams; Mark J. Ducey; Mark J. Ducey

    2005-01-01

    Critical point relascope sampling is developed and shown to be design-unbiased for the estimation of log volume when used with point relascope sampling for downed coarse woody debris. The method is closely related to critical height sampling for standing trees when trees are first sampled with a wedge prism. Three alternative protocols for determining the critical...

  15. Comparison of non-parametric methods for ungrouping coarsely aggregated data

    DEFF Research Database (Denmark)

    Rizzi, Silvia; Thinggaard, Mikael; Engholm, Gerda

    2016-01-01

    group at the highest ages. When histogram intervals are too coarse, information is lost and comparison between histograms with different boundaries is arduous. In these cases it is useful to estimate detailed distributions from grouped data. Methods From an extensive literature search we identify five...

  16. 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...

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

    Science.gov (United States)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-06-01

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

  19. Coarse woody debris assay in northern Arizona mixed-conifer and ponderosa pine forests

    Science.gov (United States)

    Joseph L. Ganey; Scott C. Vojta

    2010-01-01

    Coarse woody debris (CWD) provides important ecosystem services in forests and affects fire behavior, yet information on amounts and types of CWD typically is limited. To provide such information, we sampled logs and stumps in mixed-conifer and ponderosa pine (Pinus ponderosa) forests in north-central Arizona. Spatial variability was prominent for all CWD parameters....

  20. 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.

  1. 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...

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

    Science.gov (United States)

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

    2018-05-01

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

  3. Network topology exploration of mesh-based coarse-grain reconfigurable architectures

    NARCIS (Netherlands)

    Bansal, N.; Gupta, S.; Dutt, N.D.; Nicolau, A.; Gupta, R.

    2004-01-01

    Several coarse-grain reconfigurable architectures proposed recently consist of a large number of processing elements (PEs) connected in a mesh-like network topology. We study the effects of three aspects of network topology exploration on the performance of applications on these architectures: (a)

  4. Perpendicular distance sampling: an alternative method for sampling downed coarse woody debris

    Science.gov (United States)

    Michael S. Williams; Jeffrey H. Gove

    2003-01-01

    Coarse woody debris (CWD) plays an important role in many forest ecosystem processes. In recent years, a number of new methods have been proposed to sample CWD. These methods select individual logs into the sample using some form of unequal probability sampling. One concern with most of these methods is the difficulty in estimating the volume of each log. A new method...

  5. Improved Parameters for the Martini Coarse-Grained Protein Force Field

    NARCIS (Netherlands)

    de Jong, Djurre H.; Singh, Gurpreet; Bennett, W. F. Drew; Arnarez, Clement; Wassenaar, Tsjerk A.; Schafer, Lars V.; Periole, Xavier; Tieleman, D. Peter; Marrink, Siewert J.

    The Martini coarse-grained force field has been successfully used for simulating a wide range of (bio)molecular systems. Recent progress in our ability to test the model against fully atomistic force fields, however, has revealed some shortcomings. Most notable, phenylalanine and proline were too

  6. 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.

  7. Tamm Review: Sequestration of carbon from coarse woody debris in forest soils

    NARCIS (Netherlands)

    Magnússon, R.Í.; Tietema, A.; Cornelissen, J.H.C.; Hefting, M.M.; Kalbitz, K.

    2016-01-01

    Worldwide, forests have absorbed around 30% of global anthropogenic emissions of carbon dioxide (CO2) annually, thereby acting as important carbon (C) sinks. It is proposed that leaving large fragments of dead wood, coarse woody debris (CWD), in forest ecosystems may contribute to the forest C sink

  8. 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

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

    NARCIS (Netherlands)

    Poulsen, M.; Wenneker, M.; Withagen, J.C.M.; Christensen, H.B.

    2012-01-01

    In this study, field trials on fine and coarse spray quality application of pesticides on apples were performed. The main objectives were to study the variation of pesticide residue levels in individual fruits versus composite samples, and the effect of standard fine spray quality application versus

  10. CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field

    NARCIS (Netherlands)

    Qi, Yifei; Ingolfsson, Helgi I.; Cheng, Xi; Lee, Jumin; Marrink, Siewert J.; Im, Wonpil

    Coarse-grained simulations are widely used to study large biological systems. Nonetheless, building such simulation systems becomes nontrivial, especially when membranes with various lipid types are involved. Taking advantage of the frameworks in all-atom CHARMM-GUI modules, we have developed

  11. Dry Martini, a Coarse-Grained Force Field for Lipid Membrane Simblations with Implicit Solvent

    NARCIS (Netherlands)

    Arnarez, Clement; Uusitalo, Jaakko J.; Masman, Marcelo F.; Ingolfsson, Helgi I.; de Jong, Djurre H.; Melo, Manuel N.; Periole, Xavier; de Vries, Alex H.; Marrink, Siewert J.

    Coarse-grained (CG) models allow simulation of larger systems for longer times by decreasing the number of degrees of freedom compared with all-atom models. Here we introduce an implicit-solvent version of the popular CG Martini model, nicknamed Dry Martini. To account for the omitted solvent

  12. A comprehensive comparison of perpendicular distance sampling methods for sampling downed coarse woody debris

    Science.gov (United States)

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

    2013-01-01

    Many new methods for sampling down coarse woody debris have been proposed in the last dozen or so years. One of the most promising in terms of field application, perpendicular distance sampling (PDS), has several variants that have been progressively introduced in the literature. In this study, we provide an overview of the different PDS variants and comprehensive...

  13. Implementing Non Power-of-Two FFTs on Coarse-Grain Reconfigurable Architectures

    NARCIS (Netherlands)

    Rivaton, Arnaud; Quevremont, Jérôme; Zhang, Q.; Wolkotte, P.T.; Smit, Gerardus Johannes Maria; Nurmi, J.; Takala, J.; Hamalainen, T.D.

    2005-01-01

    To improve power figures of a dual ARM9 RISC core architecture targeting low-power digital broadcasting applications, the addition of a coarse-grain architecture is considered. This paper introduces two of these structures: PACT's XPP technology and the Montium, developed by the University of

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

    International Nuclear Information System (INIS)

    Antillon, Edwin; Banlusan, Kiettipong; Strachan, Alejandro

    2014-01-01

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

  15. A coarse-mesh diffusion synthetic acceleration of the source iteration scheme for one-speed discrete ordinates transport calculations in Slab geometry

    International Nuclear Information System (INIS)

    Santos, Frederico P.; Xavier, Vinicius S.; Alves Filho, Hermes; Barros, Ricardo C.

    2011-01-01

    The scattering source iterative (SI) scheme is traditionally applied to converge fine-mesh numerical solutions to fixed-source discrete ordinates (S N ) neutron transport problems. The SI scheme is very simple to implement under a computational viewpoint. However, the SI scheme may show very slow convergence rate, mainly for diffusive media (low absorption) with several mean free paths in extent. In this work we describe an acceleration technique based on an improved initial guess for the scattering source distribution within the slab. In other words, we use as initial guess for the fine-mesh scattering source, the coarse-mesh solution of the neutron diffusion equation with special boundary conditions to account for the classical S N prescribed boundary conditions, including vacuum boundary conditions. Therefore, we first implement a spectral nodal method that generates coarse-mesh diffusion solution that is completely free from spatial truncation errors, then we reconstruct this coarse-mesh solution within each spatial cell of the discretization grid, to further yield the initial guess for the fine-mesh scattering source in the first S N transport sweep (μm > 0 and μm < 0, m = 1:N) across the spatial grid. We consider a number of numerical experiments to illustrate the efficiency of the offered diffusion synthetic acceleration (DSA) technique. (author)

  16. A coarse-mesh diffusion synthetic acceleration of the scattering source iteration scheme for one-speed slab-geometry discrete ordinates problems

    International Nuclear Information System (INIS)

    Santos, Frederico P.; Alves Filho, Hermes; Barros, Ricardo C.; Xavier, Vinicius S.

    2011-01-01

    The scattering source iterative (SI) scheme is traditionally applied to converge fine-mesh numerical solutions to fixed-source discrete ordinates (S N ) neutron transport problems. The SI scheme is very simple to implement under a computational viewpoint. However, the SI scheme may show very slow convergence rate, mainly for diffusive media (low absorption) with several mean free paths in extent. In this work we describe an acceleration technique based on an improved initial guess for the scattering source distribution within the slab. In other words, we use as initial guess for the fine-mesh scattering source, the coarse-mesh solution of the neutron diffusion equation with special boundary conditions to account for the classical S N prescribed boundary conditions, including vacuum boundary conditions. Therefore, we first implement a spectral nodal method that generates coarse-mesh diffusion solution that is completely free from spatial truncation errors, then we reconstruct this coarse-mesh solution within each spatial cell of the discretization grid, to further yield the initial guess for the fine-mesh scattering source in the first S N transport sweep (μm > 0 and μm < 0, m = 1:N) across the spatial grid. We consider a number of numerical experiments to illustrate the efficiency of the offered diffusion synthetic acceleration (DSA) technique. (author)

  17. Disentangling the drivers of coarse woody debris behavior and carbon gas emissions during fire

    Science.gov (United States)

    Zhao, Weiwei; van der Werf, Guido R.; van Logtestijn, Richard S. P.; van Hal, Jurgen R.; Cornelissen, Johannes H. C.

    2016-04-01

    The turnover of coarse woody debris, a key terrestrial carbon pool, plays fundamental roles in global carbon cycling. Biological decomposition and fire are two main fates for dead wood turnover. Compared to slow decomposition, fire rapidly transfers organic carbon from the earth surface to the atmosphere. Both a-biotic environmental factors and biotic wood properties determine coarse wood combustion and thereby its carbon gas emissions during fire. Moisture is a key inhibitory environmental factor for fire. The properties of dead wood strongly affect how it burns either directly or indirectly through interacting with moisture. Coarse wood properties vary between plant species and between various decay stages. Moreover, if we put a piece of dead wood in the context of a forest fuel bed, the soil and wood contact might also greatly affect their fire behavior. Using controlled laboratory burns, we disentangled the effects of all these driving factors: tree species (one gymnosperms needle-leaf species, three angiosperms broad-leaf species), wood decay stages (freshly dead, middle decayed, very strongly decayed), moisture content (air-dried, 30% moisture content in mass), and soil-wood contact (on versus 3cm above the ground surface) on dead wood flammability and carbon gas efflux (CO2 and CO released in grams) during fire. Wood density was measured for all coarse wood samples used in our experiment. We found that compared to other drivers, wood decay stages have predominant positive effects on coarse wood combustion (for wood mass burned, R2=0.72 when air-dried and R2=0.52 at 30% moisture content) and associated carbon gas emissions (for CO2andCO (g) released, R2=0.55 when air-dried and R2=0.42 at 30% moisture content) during fire. Thus, wood decay accelerates wood combustion and its CO2 and CO emissions during fire, which can be mainly attributed to the decreasing wood density (for wood mass burned, R2=0.91 when air-dried and R2=0.63 at 30% moisture content) as wood

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

    DEFF Research Database (Denmark)

    Marschler, Christian

    of these models might be high-dimensional, the properties of interest are usually macroscopic and lowdimensional in nature. Examples are numerous and not necessarily restricted to computer models. For instance, the power output, energy consumption and temperature of engines are interesting quantities....... 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...... in these models (learning outcome, traffic jam density, oscillation period), but also allow to investigate unstable solutions, which are important information to determine basins of attraction of stable solutions and thereby reveal information on the long-term behavior of an initial state....

  19. 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

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

    International Nuclear Information System (INIS)

    Cipcigan, Flaviu S.; Sokhan, Vlad P.; Crain, Jason; Martyna, Glenn J.

    2016-01-01

    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

  1. 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...

  2. Coarse-grained elastodynamics of fast moving dislocations

    International Nuclear Information System (INIS)

    Xiong, Liming; Rigelesaiyin, Ji; Chen, Xiang; Xu, Shuozhi; McDowell, David L.; Chen, Youping

    2016-01-01

    The fundamental mechanism of dynamic plasticity in metallic materials subjected to shock loading remains unclear because it is difficult to obtain the precise information of individual fast moving dislocations in metals from the state-of-the-art experiments. In this work, the dynamics of sonic dislocations in anisotropic crystalline materials is explored through a concurrent atomistic-continuum modeling method. We make a first attempt to characterize the complexity of nonuniformly moving dislocations in anisotropic crystals from atomistic to microscale, including the energy intensities as well as the wavelengths of acoustic phonons emitted from sonic dislocations, and the velocity-dependent stress fluctuations around the core of nonuniformly moving dislocations. Instantaneous dislocation velocities and phonon drag effects on the dislocation motions are quantified and analyzed. Mach cones in a V-shaped pattern of the phonon wave-fronts are observed in the wake of the sonic dislocations. Analysis of simulation results based on a wavelet transform show that the faster a dislocation is moving, the longer the emitted phonon wavelength. The dislocation velocity drops dramatically with the occurrence of the interactions between dislocations and phonon waves reflected from the boundaries of specimens. The concurrent atomistic-continuum modeling framework is demonstrated to be the first multiscale method that explicitly treats the strong coupling between the long-range elastic fields away from the dislocation core, the highly nonlinear time-dependent stress field within the core, and the evolutions of the atomic-scale dislocation core structures. As such, it is shown that this method is capable in predicting elastodynamics of dislocations in the presence of inertia effects associated with sonic dislocations in micron-sized anisotropic crystalline materials from the atomic level, which is not directly accessible to the recent elastodynamic discrete dislocation model.

  3. 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

  4. 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; PMPM7-2.5 by subtracting PM2.5 from SPM. We then used conditional logistic regression to analyze the data. Same-day PM2.5 was associated with increased risks of infant and postneonatal mortality, especially for mortality related to respiratory causes. For a 10μg/m(3) increase in PM2.5, the odds ratios were 1.06 (95% confidence interval: 1.01-1.12) for infant mortality and 1.10 (1.02-1.19) for postneonatal mortality. PM7-2.5 was also associated with an increased risk of postneonatal mortality, independent of PM2.5. Even when PM2.5 and SPM concentrations were below Japanese air quality guidelines, we observed adverse health effects. This study provides further evidence that acute exposure to PM2.5 and coarse particles (PM7-2.5) is associated with an increased risk of infant mortality. Further, rigorous evaluation of air quality guidelines for daily average PM2.5 and larger particles is needed. Copyright © 2016 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

    Cipcigan, Flaviu S.; Sokhan, Vlad P.; Crain, Jason; Martyna, Glenn J.

    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 modeller 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.

  6. Post-Disturbance Stability of Fish Assemblages Measured at Coarse Taxonomic Resolution Masks Change at Finer Scales.

    Science.gov (United States)

    Ceccarelli, Daniela M; Emslie, Michael J; Richards, Zoe T

    2016-01-01

    Quantifying changes to coral reef fish assemblages in the wake of cyclonic disturbances is challenging due to spatial variability of damage inherent in such events. Often, fish abundance appears stable at one spatial scale (e.g. reef-wide), but exhibits substantial change at finer scales (e.g. site-specific decline or increase). Taxonomic resolution also plays a role; overall stability at coarse taxonomic levels (e.g. family) may mask species-level turnover. Here we document changes to reef fish communities after severe Tropical Cyclone Ita crossed Lizard Island, Great Barrier Reef. Coral and reef fish surveys were conducted concurrently before and after the cyclone at four levels of exposure to the prevailing weather. Coral cover declined across all exposures except sheltered sites, with the largest decline at exposed sites. There was no significant overall reduction in the total density, biomass and species richness of reef fishes between 2011 and 2015, but individual fish taxa (families and species) changed in complex and unpredictable ways. For example, more families increased in density and biomass than decreased following Cyclone Ita, particularly at exposed sites whilst more fish families declined at lagoon sites even though coral cover did not decline. All sites lost biomass of several damselfish species, and at most sites there was an increase in macroinvertivores and grazers. Overall, these results suggest that the degree of change measured at coarse taxonomic levels masked high species-level turnover, although other potential explanations include that there was no impact of the storm, fish assemblages were impacted but underwent rapid recovery or that there is a time lag before the full impacts become apparent. This study confirms that in high-complexity, high diversity ecosystems such as coral reefs, species level analyses are essential to adequately capture the consequences of disturbance events.

  7. Coarse-mesh method for multidimensional, mixed-lattice diffusion calculations

    International Nuclear Information System (INIS)

    Dodds, H.L. Jr.; Honeck, H.C.; Hostetler, D.E.

    1977-01-01

    A coarse-mesh finite difference method has been developed for multidimensional, mixed-lattice reactor diffusion calculations, both statics and kinetics, in hexagonal geometry. Results obtained with the coarse-mesh (CM) method have been compared with a conventional mesh-centered finite difference method and with experiment. The results of this comparison indicate that the accuracy of the CM method for highly heterogeneous (mixed) lattices using one point per hexagonal mesh element (''hex'') is about the same as the conventional method with six points per hex. Furthermore, the computing costs (i.e., central processor unit time and core storage requirements) of the CM method with one point per hex are about the same as the conventional method with one point per hex

  8. 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

  9. Making coarse grained polymer simulations quantitatively predictive for statics and dynamics

    Science.gov (United States)

    Kremer, Kurt

    2010-03-01

    By combining input from short simulation runs of rather small systems with all atomistic details together with properly adapted coarse grained models we are able quantitatively predict static and especially dynamical properties of both pure polymer melts of long fully entangled but also of systems with low molecular weight additives. Comparisons to rather different experiments such as diffusion constant measurements or NMR relaxation experiments show a remarkable quantitative agreement without any adjustable parameter. Reintroduction of chemical details into the coarse grained trajectories allows the study of long time trajectories in all atomistic detail providing the opportunity for rather different means of data analysis. References: V. Harmandaris, K. Kremer, Macromolecules, in press (2009) V. Harmandaris et al, Macromolecules, 40, 7026 (2007) B. Hess, S. Leon, N. van der Vegt, K. Kremer, Soft Matter 2, 409 (2006) D. Fritz et al, Soft Matter 5, 4556 (2009)

  10. 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.

  11. 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.

  12. 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-ILP archi......The coarse-grained reconfigurable architecture ADRES (architecture for dynamically reconfigurable embedded systems) and its compiler offer high instruction-level parallelism (ILP) to applications by means of a sparsely interconnected array of functional units and register files. As high......-ILP architectures achieve only low parallelism when executing partially sequential code segments, which is also known as Amdahl's law, this article proposes to extend ADRES to MT-ADRES (multi-threaded ADRES) to also exploit thread-level parallelism. On MT-ADRES architectures, the array can be partitioned...

  13. 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.

  14. Linear mixing model applied to coarse spatial resolution data from multispectral satellite sensors

    Science.gov (United States)

    Holben, Brent N.; Shimabukuro, Yosio E.

    1993-01-01

    A linear mixing model was applied to coarse spatial resolution data from the NOAA Advanced Very High Resolution Radiometer. The reflective component of the 3.55-3.95 micron channel was used with the two reflective channels 0.58-0.68 micron and 0.725-1.1 micron to run a constrained least squares model to generate fraction images for an area in the west central region of Brazil. The fraction images were compared with an unsupervised classification derived from Landsat TM data acquired on the same day. The relationship between the fraction images and normalized difference vegetation index images show the potential of the unmixing techniques when using coarse spatial resolution data for global studies.

  15. Coarse mesh finite element method for boiling water reactor physics analysis

    International Nuclear Information System (INIS)

    Ellison, P.G.

    1983-01-01

    A coarse mesh method is formulated for the solution of Boiling Water Reactor physics problems using two group diffusion theory. No fuel assembly cross-section homogenization is required; water gaps, control blades and fuel pins of varying enrichments are treated explicitly. The method combines constrained finite element discretization with infinite lattice super cell trial functions to obtain coarse mesh solutions for which the only approximations are along the boundaries between fuel assemblies. The method is applied to bench mark Boiling Water Reactor problems to obtain both the eigenvalue and detailed flux distributions. The solutions to these problems indicate the method is useful in predicting detailed power distributions and eigenvalues for Boiling Water Reactor physics problems

  16. Optimization of droplets for UV-NIL using coarse-grain simulation of resist flow

    Science.gov (United States)

    Sirotkin, Vadim; Svintsov, Alexander; Zaitsev, Sergey

    2009-03-01

    A mathematical model and numerical method are described, which make it possible to simulate ultraviolet ("step and flash") nanoimprint lithography (UV-NIL) process adequately even using standard Personal Computers. The model is derived from 3D Navier-Stokes equations with the understanding that the resist motion is largely directed along the substrate surface and characterized by ultra-low values of the Reynolds number. By the numerical approximation of the model, a special finite difference method is applied (a coarse-grain method). A coarse-grain modeling tool for detailed analysis of resist spreading in UV-NIL at the structure-scale level is tested. The obtained results demonstrate the high ability of the tool to calculate optimal dispensing for given stamp design and process parameters. This dispensing provides uniform filled areas and a homogeneous residual layer thickness in UV-NIL.

  17. 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.

  18. 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.

  19. Multiblob coarse-graining for mixtures of long polymers and soft colloids

    Science.gov (United States)

    Locatelli, Emanuele; Capone, Barbara; Likos, Christos N.

    2016-11-01

    Soft nanocomposites represent both a theoretical and an experimental challenge due to the high number of the microscopic constituents that strongly influence the behaviour of the systems. An effective theoretical description of such systems invokes a reduction of the degrees of freedom to be analysed, hence requiring the introduction of an efficient, quantitative, coarse-grained description. We here report on a novel coarse graining approach based on a set of transferable potentials that quantitatively reproduces properties of mixtures of linear and star-shaped homopolymeric nanocomposites. By renormalizing groups of monomers into a single effective potential between a f-functional star polymer and an homopolymer of length N0, and through a scaling argument, it will be shown how a substantial reduction of the to degrees of freedom allows for a full quantitative description of the system. Our methodology is tested upon full monomer simulations for systems of different molecular weight, proving its full predictive potential.

  20. 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...

  1. Formation of incoherent deformation twin boundaries in a coarse-grained Al-7Mg alloy

    Science.gov (United States)

    Jin, S. B.; Zhang, K.; Bjørge, R.; Tao, N. R.; Marthinsen, K.; Lu, K.; Li, Y. J.

    2015-08-01

    Deformation twinning has rarely been observed in coarse grained Al and its alloys except under some extreme conditions such as ultrahigh deformation strain or strain rates. Here, we report that a significant amount of Σ3 deformation twins could be generated in a coarse-grained Al-7 Mg alloy by dynamic plastic deformation (DPD). A systematic investigation of the Σ3 boundaries shows that they are Σ3{112} type incoherent twin boundaries (ITBs). These ITBs have formed by gradual evolution from copious low-angle deformation bands through -twist Σ boundaries by lattice rotation. These findings provide an approach to generate deformation twin boundaries in high stacking fault energy metallic alloys. It is suggested that high solution content of Mg in the alloy and the special deformation mode of DPD played an important role in formation of the Σ and ITBs.

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

    Science.gov (United States)

    Das, Shankar P; Yoshimori, Akira

    2013-10-01

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

  3. Analysis of coarse aggregate performance based on the modified Micro Deval abrasion test

    Directory of Open Access Journals (Sweden)

    Jiangfeng Wu

    2018-03-01

    Full Text Available The anti-abrasion property of aggregate significantly affects the performance of the pavement. In this research, the quartzite and gneiss which were produced in Lincheng County, Xingtai City, Hebei Province were selected as test samples. According to the American Society for Testing and Materials standard, the Micro-Deval abrasion test was taken every 1000 rotation times until 20,000 times, and the change trend of the Micro-Deval abrasion value was obtained. Results showed that the abrasion values were in the exponential growth rate rather than linear rate. Their R-Square coefficient was 0.99142 and 0.99916 respectively. The gravel information such as area, roundness, diameter, perimeter and so on were calculated and analyzed by Image-Pro Plus software, which provided a rapid way for the 2D morphology characteristics analysis of the coarse aggregate. Keywords: Micro-Deval abrasion test, Coarse aggregate, Anti-abrasion property, Abrasion values

  4. Premelting, fluctuations, and coarse-graining of water-ice interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Limmer, David T., E-mail: dlimmer@princeton.edu [Princeton Center for Theoretical Science, Princeton University, Princeton, New Jersey 08540 (United States); Chandler, David [Department of Chemistry, University of California, Berkeley, California 94609 (United States)

    2014-11-14

    Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar order parameter field is discussed, which provides a convenient representation of the interface between locally crystal-like and locally liquid-like regions. A number of interfacial properties are straightforwardly evaluated using this procedure such as the average premelting thickness and surface tension. The temperature and system size dependence of the premelting layer thickness calculated in this way confirms the characteristic logarithmic growth expected for the scalar field theory that the system is mapped onto through coarse-graining, though remains finite due to long-ranged interactions. Finally, from explicit simulations the existence of a premelting layer is shown to be insensitive to bulk lattice geometry, exposed crystal face, and curvature.

  5. Premelting, fluctuations, and coarse-graining of water-ice interfaces

    Science.gov (United States)

    Limmer, David T.; Chandler, David

    2014-11-01

    Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar order parameter field is discussed, which provides a convenient representation of the interface between locally crystal-like and locally liquid-like regions. A number of interfacial properties are straightforwardly evaluated using this procedure such as the average premelting thickness and surface tension. The temperature and system size dependence of the premelting layer thickness calculated in this way confirms the characteristic logarithmic growth expected for the scalar field theory that the system is mapped onto through coarse-graining, though remains finite due to long-ranged interactions. Finally, from explicit simulations the existence of a premelting layer is shown to be insensitive to bulk lattice geometry, exposed crystal face, and curvature.

  6. Premelting, fluctuations, and coarse-graining of water-ice interfaces

    International Nuclear Information System (INIS)

    Limmer, David T.; Chandler, David

    2014-01-01

    Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar order parameter field is discussed, which provides a convenient representation of the interface between locally crystal-like and locally liquid-like regions. A number of interfacial properties are straightforwardly evaluated using this procedure such as the average premelting thickness and surface tension. The temperature and system size dependence of the premelting layer thickness calculated in this way confirms the characteristic logarithmic growth expected for the scalar field theory that the system is mapped onto through coarse-graining, though remains finite due to long-ranged interactions. Finally, from explicit simulations the existence of a premelting layer is shown to be insensitive to bulk lattice geometry, exposed crystal face, and curvature

  7. Premelting, fluctuations, and coarse-graining of water-ice interfaces.

    Science.gov (United States)

    Limmer, David T; Chandler, David

    2014-11-14

    Using statistical field theory supplemented with molecular dynamics simulations, we consider premelting on the surface of ice as a generic consequence of broken hydrogen bonds at the boundary between the condensed and gaseous phases. A procedure for coarse-graining molecular configurations onto a continuous scalar order parameter field is discussed, which provides a convenient representation of the interface between locally crystal-like and locally liquid-like regions. A number of interfacial properties are straightforwardly evaluated using this procedure such as the average premelting thickness and surface tension. The temperature and system size dependence of the premelting layer thickness calculated in this way confirms the characteristic logarithmic growth expected for the scalar field theory that the system is mapped onto through coarse-graining, though remains finite due to long-ranged interactions. Finally, from explicit simulations the existence of a premelting layer is shown to be insensitive to bulk lattice geometry, exposed crystal face, and curvature.

  8. Controls on coarse wood decay in temperate tree species: birth of the LOGLIFE experiment.

    Science.gov (United States)

    Cornelissen, Johannes H C; Sass-Klaassen, Ute; Poorter, Lourens; van Geffen, Koert; van Logtestijn, Richard S P; van Hal, Jurgen; Goudzwaard, Leo; Sterck, Frank J; Klaassen, René K W M; Freschet, Grégoire T; van der Wal, Annemieke; Eshuis, Henk; Zuo, Juan; de Boer, Wietse; Lamers, Teun; Weemstra, Monique; Cretin, Vincent; Martin, Rozan; Ouden, Jan den; Berg, Matty P; Aerts, Rien; Mohren, Godefridus M J; Hefting, Mariet M

    2012-01-01

    Dead wood provides a huge terrestrial carbon stock and a habitat to wide-ranging organisms during its decay. Our brief review highlights that, in order to understand environmental change impacts on these functions, we need to quantify the contributions of different interacting biotic and abiotic drivers to wood decomposition. LOGLIFE is a new long-term 'common-garden' experiment to disentangle the effects of species' wood traits and site-related environmental drivers on wood decomposition dynamics and its associated diversity of microbial and invertebrate communities. This experiment is firmly rooted in pioneering experiments under the directorship of Terry Callaghan at Abisko Research Station, Sweden. LOGLIFE features two contrasting forest sites in the Netherlands, each hosting a similar set of coarse logs and branches of 10 tree species. LOGLIFE welcomes other researchers to test further questions concerning coarse wood decay that will also help to optimise forest management in view of carbon sequestration and biodiversity conservation.

  9. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-04-07

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

  11. Texture coarseness responsive neurons and their mapping in layer 2–3 of the rat barrel cortex in vivo

    Science.gov (United States)

    Garion, Liora; Dubin, Uri; Rubin, Yoav; Khateb, Mohamed; Schiller, Yitzhak; Azouz, Rony; Schiller, Jackie

    2014-01-01

    Texture discrimination is a fundamental function of somatosensory systems, yet the manner by which texture is coded and spatially represented in the barrel cortex are largely unknown. Using in vivo two-photon calcium imaging in the rat barrel cortex during artificial whisking against different surface coarseness or controlled passive whisker vibrations simulating different coarseness, we show that layer 2–3 neurons within barrel boundaries differentially respond to specific texture coarsenesses, while only a minority of neurons responded monotonically with increased or decreased surface coarseness. Neurons with similar preferred texture coarseness were spatially clustered. Multi-contact single unit recordings showed a vertical columnar organization of texture coarseness preference in layer 2–3. These findings indicate that layer 2–3 neurons perform high hierarchical processing of tactile information, with surface coarseness embodied by distinct neuronal subpopulations that are spatially mapped onto the barrel cortex. DOI: http://dx.doi.org/10.7554/eLife.03405.001 PMID:25233151

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

    OpenAIRE

    Barbee, Christopher John

    2007-01-01

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

  13. A study of coarse mesh collision probability correction factors in slab lattices

    International Nuclear Information System (INIS)

    Buckler, A.N.

    1975-07-01

    Calculations of collision probability leakage estimates are performed in one dimensional slab geometry with one neutron group to gain some insight into methods of correction for the coarseness of the mesh H. The chief result is that the correction factor, beta, can be written as CD/H where C → 4 for the diffusion limit. An explicit expression for C is derived in terms of the E 3 function, for a linear flux variation across the slabs. (author)

  14. Adhesion between a rutile surface and a polyimide: a coarse grained molecular dynamics study

    Science.gov (United States)

    Kumar, Arun; Sudarkodi, V.; Parandekar, Priya V.; Sinha, Nishant K.; Prakash, Om; Nair, Nisanth N.; Basu, Sumit

    2018-04-01

    Titanium, due to its high strength to weight ratio and polyimides, due to their excellent thermal stability are being increasingly used in aerospace applications. We investigate the bonding between a (110) rutile substrate and a popular commercial polyimide, PMR-15, starting from the known atomic structure of the rutile substrate and the architecture of the polymer. First, the long PMR-15 molecule is divided into four fragments and an all-atom non-bonded forcefield governing the interaction between PMR-15 and a rutile substrate is developed. To this end, parameters of Buckingham potential for interaction between each atom in the fragments and the rutile surface are fitted, so as to ensure that the sum of non-bonded and electrostatic interaction energy between the substrate and a large number of configurations of each fragment, calculated by the quantum mechanical route and obtained from the fitted potential, is closely matched. Further, two coarse grained models of PMR-15 are developed—one for interaction between two coarse grained PMR-15 molecules and another for that between a coarse grained PMR-15 and the rutile substrate. Molecular dynamics simulations with the coarse grained models yields a traction separation law—a very useful tool for conducting continuum level finite element simulations of rutile-PMR-15 joints—governing the normal separation of a PMR-15 block from a flat rutile substrate. Moreover, detailed information about the affinity of various fragments to the substrate are also obtained. In fact, though the separation energy between rutile and PMR-15 turns out to be rather low, our analysis—with merely the molecular architecture of the polyimide as the starting point—provides a scheme for in-silico prediction of adhesion energies for new polyimide formulations.

  15. 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)

  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. 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.)

  18. 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

  19. Flow structure of coarse-grained slurry in a horizontal pipe

    Czech Academy of Sciences Publication Activity Database

    Vlasák, Pavel; Kysela, Bohuš; Chára, Zdeněk

    2012-01-01

    Roč. 60, č. 2 (2012), s. 115-124 ISSN 0042-790X R&D Projects: GA ČR GAP105/10/1574 Institutional research plan: CEZ:AV0Z20600510 Keywords : coarse-grained slurry * turbulent flow * pressure drop * velocity distribution * flow structure * concentration effect Subject RIV: BK - Fluid Dynamics Impact factor: 0.653, year: 2012

  20. An Analysis of the Ecology and Public Perception of Coarse Woody Debris in Virginia

    OpenAIRE

    Fuhrman, Nicholas E.

    2004-01-01

    Coarse woody debris (CWD) is an important habitat component for wildlife, fish, and plants and is important in nutrient cycling and soil formation. Knowledge of the volume, distribution, and use of CWD across Virginia would be useful to forest managers modeling nutrient budgets in southeastern forests and is important to wildlife management efforts. Knowledge of the effectiveness of informational brochures and cooperative learning activities/presentations at influencing public perception of C...

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

    Science.gov (United States)

    Michael D. Ulyshen; James L. Hanula; Scott Horn; John C. Kilgo; Christopher E. Moorman

    2004-01-01

    Malaise traps were used to sample beetles in artificial canopy gaps of different size (0.13 ha, 0.26 ha, and 0.50 ha) and age in a South Carolina bottomland hardwood forest. Traps were placed at the center, edge, and in the surrounding forest of each gap. Young gaps (~1 year) had large amounts of coarse woody debris compared to the surrounding forest, while older gaps...

  2. Coarse-Grained Online Monitoring of BTI Aging by Reusing Power-Gating Infrastructure

    OpenAIRE

    Tenentes, V.; Rossi, D.; Sheng Yang,; Khursheed, S.; Al-Hashimi, B.M.; Gunn, S.R.

    2017-01-01

    In this paper, we present a novel coarse-grained technique for monitoring online the Bias Temperature Instability (BTI) aging of circuits by exploiting their power gating infrastructure. The proposed technique relies on monitoring the discharge time of the virtual-power-network during stand-by operations, the value of which depends on the threshold voltage of the CMOS devices in the power-gated design (PGD). It does not require any distributed sensors, because the virtual-power network is alr...

  3. 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

  4. 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

    We hereby introduce a new hybrid thermodynamic-structural approach to the coarse-graining of polymers. The new model is developed within the framework of the MARTINI force-field (Marrink et al., J. Phys. Chem. B, 2007, 111, 7812), which uses mainly thermodynamic properties as targets...... of microseconds. Finally, we tested our model in dilute conditions. The collapse of the polymer chains in a bad solvent and the swelling in a good solvent could be reproduced....

  5. 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.

  6. 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

  7. Protein folding simulations: from coarse-grained model to all-atom model.

    Science.gov (United States)

    Zhang, Jian; Li, Wenfei; Wang, Jun; Qin, Meng; Wu, Lei; Yan, Zhiqiang; Xu, Weixin; Zuo, Guanghong; Wang, Wei

    2009-06-01

    Protein folding is an important and challenging problem in molecular biology. During the last two decades, molecular dynamics (MD) simulation has proved to be a paramount tool and was widely used to study protein structures, folding kinetics and thermodynamics, and structure-stability-function relationship. It was also used to help engineering and designing new proteins, and to answer even more general questions such as the minimal number of amino acid or the evolution principle of protein families. Nowadays, the MD simulation is still undergoing rapid developments. The first trend is to toward developing new coarse-grained models and studying larger and more complex molecular systems such as protein-protein complex and their assembling process, amyloid related aggregations, and structure and motion of chaperons, motors, channels and virus capsides; the second trend is toward building high resolution models and explore more detailed and accurate pictures of protein folding and the associated processes, such as the coordination bond or disulfide bond involved folding, the polarization, charge transfer and protonate/deprotonate process involved in metal coupled folding, and the ion permeation and its coupling with the kinetics of channels. On these new territories, MD simulations have given many promising results and will continue to offer exciting views. Here, we review several new subjects investigated by using MD simulations as well as the corresponding developments of appropriate protein models. These include but are not limited to the attempt to go beyond the topology based Gō-like model and characterize the energetic factors in protein structures and dynamics, the study of the thermodynamics and kinetics of disulfide bond involved protein folding, the modeling of the interactions between chaperonin and the encapsulated protein and the protein folding under this circumstance, the effort to clarify the important yet still elusive folding mechanism of protein BBL

  8. 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

  9. 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.

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

    Science.gov (United States)

    Qiao, Qiyun; Cao, Wanlin; Qian, Zhiwei; Li, Xiangyu; Zhang, Wenwen; Liu, Wenchao

    2017-12-07

    In this study, the cyclic behaviors of low rise concrete shear walls using recycled coarse or fine aggregates were investigated. Eight low rise Recycled Aggregates Concrete (RAC) shear wall specimens were designed and tested under a cyclic loading. The following parameters were varied: replacement percentages of recycled coarse or fine aggregates, reinforcement ratio, axial force ratio and X-shaped rebars brace. The failure characteristics, hysteretic behavior, strength and deformation capacity, strain characteristics and stiffness were studied. Test results showed that the using of the Recycled Coarse Aggregates (RCA) and its replacement ratio had almost no influence on the mechanical behavior of the shear wall; however, the using of Recycled Fine Aggregates (RFA) had a certain influence on the ductility of the shear wall. When the reinforcement ratio increased, the strength and ductility also increased. By increasing the axial force ratio, the strength increased but the ductility decreased significantly. The encased brace had a significant effect on enhancing the RAC shear walls. The experimental maximum strengths were evaluated with existing design codes, it was indicated that the strength evaluation of the low rise RAC shear walls can follow the existing design codes of the conventional concrete shear walls.

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

    Directory of Open Access Journals (Sweden)

    Daehyeon Kim

    2014-02-01

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

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

    Science.gov (United States)

    Kim, Daehyeon; Ha, Sungwoo

    2014-02-07

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

  13. 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.

  14. 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.

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

    Science.gov (United States)

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

    2016-01-01

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

  16. 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.

  17. 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.

  18. Adaptive resolution simulation of polarizable supramolecular coarse-grained water models

    International Nuclear Information System (INIS)

    Zavadlav, Julija; Praprotnik, Matej; Melo, Manuel N.; Marrink, Siewert J.

    2015-01-01

    Multiscale simulations methods, such as adaptive resolution scheme, are becoming increasingly popular due to their significant computational advantages with respect to conventional atomistic simulations. For these kind of simulations, it is essential to develop accurate multiscale water models that can be used to solvate biophysical systems of interest. Recently, a 4-to-1 mapping was used to couple the bundled-simple point charge water with the MARTINI model. Here, we extend the supramolecular mapping to coarse-grained models with explicit charges. In particular, the two tested models are the polarizable water and big multiple water models associated with the MARTINI force field. As corresponding coarse-grained representations consist of several interaction sites, we couple orientational degrees of freedom of the atomistic and coarse-grained representations via a harmonic energy penalty term. This additional energy term aligns the dipole moments of both representations. We test this coupling by studying the system under applied static external electric field. We show that our approach leads to the correct reproduction of the relevant structural and dynamical properties

  19. Evaluation of using crushed brick as coarse aggregate in concrete layer within rigid highway pavement

    Directory of Open Access Journals (Sweden)

    Alwash Ali

    2018-01-01

    Full Text Available Most of the present studies related to the field of highway pavement construction technique tend to make use of the local available materials as substitutes for the imported and necessary materials for some of the practical application. For this reason this research aims at looking for the prospect of used locally available aggregate such as crushed clay bricks for the aim of producing proper concrete with suitable thermal and mechanical properties. Experimental investigations have been carried out to asses the effect of partial replacement of coarse aggregate by free manually crushed Brick with percentages (10, 20, 30 and 40% of virgin coarse aggregate in concrete mix for highway rigid pavement. While the percentage (0% replacement represent reference mix. Mix proportion based on the target of compressive strength for all replacement percentage of (33 MPa at (28 days to achieve AASHTO requirement for highway concrete rigid pavement .The results of flexural strength, modulus of elasticity, density and thermal conductivity refers to better performance (less thickness of concrete layer with large spacing between contraction or expansion joints and less stresses due to warping induced concrete layer for concrete mix with 20% crushed brick as replacement of coarse aggregate.

  20. 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

  1. The strategy of alternate direction adapted to a coarse mesh method for the solution of neutron diffusion problems

    International Nuclear Information System (INIS)

    Watson, F.V.

    1982-01-01

    An adaptation of the alternate direction method for coarse mesh calculation, is presented. The algorithm is applicable to two-and three dimensional problems, the last being the more interesting one. (E.G.) [pt

  2. 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

  3. 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.

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

    International Nuclear Information System (INIS)

    Vögele, Martin; Holm, Christian; Smiatek, Jens

    2015-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-28

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

  6. 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.

  7. Effects of coarse-graining on the scaling behavior of long-range correlated and anti-correlated signals.

    Science.gov (United States)

    Xu, Yinlin; Ma, Qianli D Y; Schmitt, Daniel T; Bernaola-Galván, Pedro; Ivanov, Plamen Ch

    2011-11-01

    We investigate how various coarse-graining (signal quantization) methods affect the scaling properties of long-range power-law correlated and anti-correlated signals, quantified by the detrended fluctuation analysis. Specifically, for coarse-graining in the magnitude of a signal, we consider (i) the Floor, (ii) the Symmetry and (iii) the Centro-Symmetry coarse-graining methods. We find that for anti-correlated signals coarse-graining in the magnitude leads to a crossover to random behavior at large scales, and that with increasing the width of the coarse-graining partition interval Δ, this crossover moves to intermediate and small scales. In contrast, the scaling of positively correlated signals is less affected by the coarse-graining, with no observable changes when Δ 1 a crossover appears at small scales and moves to intermediate and large scales with increasing Δ. For very rough coarse-graining (Δ > 3) based on the Floor and Symmetry methods, the position of the crossover stabilizes, in contrast to the Centro-Symmetry method where the crossover continuously moves across scales and leads to a random behavior at all scales; thus indicating a much stronger effect of the Centro-Symmetry compared to the Floor and the Symmetry method. For coarse-graining in time, where data points are averaged in non-overlapping time windows, we find that the scaling for both anti-correlated and positively correlated signals is practically preserved. The results of our simulations are useful for the correct interpretation of the correlation and scaling properties of symbolic sequences.

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

    Energy Technology Data Exchange (ETDEWEB)

    Zeidman, Benjamin D. [Department of Chemistry, Colorado School of Mines, Golden, Colorado 80401 (United States); Lu, Ning [Department of Civil and Environmental Engineering, Colorado School of Mines, Golden, Colorado 80401 (United States); Wu, David T., E-mail: dwu@mines.edu [Department of Chemistry, Colorado School of Mines, Golden, Colorado 80401 (United States); Department of Chemical and Biological Engineering, Colorado School of Mines, Golden, Colorado 80401 (United States)

    2016-05-07

    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.

  9. Identification and characterization of fine and coarse particulate matter sources in a middle-European urban environment

    International Nuclear Information System (INIS)

    Kertesz, Zs.; Szoboszlai, Z.; Angyal, A.; Dobos, E.; Borbely-Kiss, I.

    2010-01-01

    In this work a source apportionment study is presented which aimed to characterize the PM 2.5 and PM 2.5-10 sources in the urban area of Debrecen, East-Hungary by using streaker samples, IBA methods and positive matrix factorization (PMF) analysis. Samples of fine (PM 2.5 ) and coarse (PM 2.5-10 ) urban particulate matter were collected with 2 h time resolution in the frame of five sampling campaigns during 2007-2009 in different seasons in the downtown of Debrecen. Elemental concentrations from Al to Pb of over 1000 samples were obtained by particle induced X-ray emission (PIXE); concentrations of black carbon (BC) were determined with a smoke stain reflectometer. On this data base source apportionment was carried out by using the PMF method. Seven factors were identified for both size fractions, including soil dust, traffic, secondary aerosol - sulphates, domestic heating, oil combustion, agriculture and an unknown factor enriched with chlorine. Seasonal and daily variation of the different factors was studied as well as their dependence on meteorological parameters. Besides determining the time patterns characteristic to the city, several emission episodes were identified including a Saharan dust intrusion on 21st-24th May, 2008.

  10. SimRNA: a coarse-grained method for RNA folding simulations and 3D structure prediction.

    Science.gov (United States)

    Boniecki, Michal J; Lach, Grzegorz; Dawson, Wayne K; Tomala, Konrad; Lukasz, Pawel; Soltysinski, Tomasz; Rother, Kristian M; Bujnicki, Janusz M

    2016-04-20

    RNA molecules play fundamental roles in cellular processes. Their function and interactions with other biomolecules are dependent on the ability to form complex three-dimensional (3D) structures. However, experimental determination of RNA 3D structures is laborious and challenging, and therefore, the majority of known RNAs remain structurally uncharacterized. Here, we present SimRNA: a new method for computational RNA 3D structure prediction, which uses a coarse-grained representation, relies on the Monte Carlo method for sampling the conformational space, and employs a statistical potential to approximate the energy and identify conformations that correspond to biologically relevant structures. SimRNA can fold RNA molecules using only sequence information, and, on established test sequences, it recapitulates secondary structure with high accuracy, including correct prediction of pseudoknots. For modeling of complex 3D structures, it can use additional restraints, derived from experimental or computational analyses, including information about secondary structure and/or long-range contacts. SimRNA also can be used to analyze conformational landscapes and identify potential alternative structures. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  11. 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.

  12. 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.

  13. Coarse Grid Modeling of Turbine Film Cooling Flows Using Volumetric Source Terms

    Science.gov (United States)

    Heidmann, James D.; Hunter, Scott D.

    2001-01-01

    The recent trend in numerical modeling of turbine film cooling flows has been toward higher fidelity grids and more complex geometries. This trend has been enabled by the rapid increase in computing power available to researchers. However, the turbine design community requires fast turnaround time in its design computations, rendering these comprehensive simulations ineffective in the design cycle. The present study describes a methodology for implementing a volumetric source term distribution in a coarse grid calculation that can model the small-scale and three-dimensional effects present in turbine film cooling flows. This model could be implemented in turbine design codes or in multistage turbomachinery codes such as APNASA, where the computational grid size may be larger than the film hole size. Detailed computations of a single row of 35 deg round holes on a flat plate have been obtained for blowing ratios of 0.5, 0.8, and 1.0, and density ratios of 1.0 and 2.0 using a multiblock grid system to resolve the flows on both sides of the plate as well as inside the hole itself. These detailed flow fields were spatially averaged to generate a field of volumetric source terms for each conservative flow variable. Solutions were also obtained using three coarse grids having streamwise and spanwise grid spacings of 3d, 1d, and d/3. These coarse grid solutions used the integrated hole exit mass, momentum, energy, and turbulence quantities from the detailed solutions as volumetric source terms. It is shown that a uniform source term addition over a distance from the wall on the order of the hole diameter is able to predict adiabatic film effectiveness better than a near-wall source term model, while strictly enforcing correct values of integrated boundary layer quantities.

  14. 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.

  15. Ecology of coarse wood decomposition by the saprotrophic fungus Fomes fomentarius.

    Science.gov (United States)

    Větrovský, Tomáš; Voříšková, Jana; Snajdr, Jaroslav; Gabriel, Jiří; Baldrian, Petr

    2011-07-01

    Saprotrophic wood-inhabiting basidiomycetes are the most important decomposers of lignin and cellulose in dead wood and as such they attracted considerable attention. The aims of this work were to quantify the activity and spatial distribution of extracellular enzymes in coarse wood colonised by the white-rot basidiomycete Fomes fomentarius and in adjacent fruitbodies of the fungus and to analyse the diversity of the fungal and bacterial community in a fungus-colonised wood and its potential effect on enzyme production by F. fomentarius. Fungus-colonised wood and fruitbodies were collected in low management intensity forests in the Czech Republic. There were significant differences in enzyme production by F. fomentarius between Betula pendula and Fagus sylvatica wood, the activity of cellulose and xylan-degrading enzymes was significantly higher in beech wood than in birch wood. Spatial analysis of a sample B. pendula log segment proved that F. fomentarius was the single fungal representative found in the log. There was a high level of spatial variability in the amount of fungal biomass detected, but no effects on enzyme activities were observed. Samples from the fruiting body showed high β-glucosidase and chitinase activities compared to wood samples. Significantly higher levels of xylanase and cellobiohydrolase were found in samples located near the fruitbody (proximal), and higher laccase and Mn-peroxidase activities were found in the distal ones. The microbial community in wood was dominated by the fungus (fungal to bacterial DNA ratio of 62-111). Bacterial abundance composition was lower in proximal than distal parts of wood by a factor of 24. These results show a significant level of spatial heterogeneity in coarse wood. One of the explanations may be the successive colonization of wood by the fungus: due to differential enzyme production, the rates of biodegradation of coarse wood are also spatially inhomogeneous.

  16. 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

  17. 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

  18. 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

  19. 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.

  20. Deformation bands in ⟨120⟩ grains in coarse-grained aluminium

    DEFF Research Database (Denmark)

    Bilde-Sørensen, Jørgen

    1986-01-01

    Coarse-grained aluminium, deformed in tension to a strain of 0.05, was examined in a scanning electron microscope by channelling contrast. Pronounced bands with a width typically of the order of 200 μm were found in some grains with an orientation close to [120]. When observed on surfaces close......)[011](111) and (a/2)[011](111). The Schmid factor for the highest stressed secondary systems has a local minimum of 0.245 at [120]. The application of Frank's equation shows that the only boundaries without long-range stresses that can be formed by combination of the two sets of dislocations, (a/2)- [011...

  1. A model of regional primary production for use with coarse resolution satellite data

    Science.gov (United States)

    Prince, S. D.

    1991-01-01

    A model of crop primary production, which was originally developed to relate the amount of absorbed photosynthetically active radiation (APAR) to net production in field studies, is discussed in the context of coarse resolution regional remote sensing of primary production. The model depends on an approximately linear relationship between APAR and the normalized difference vegetation index. A more comprehensive form of the conventional model is shown to be necessary when different physiological types of plants or heterogeneous vegetation types occur within the study area. The predicted variable in the new model is total assimilation (net production plus respiration) rather than net production alone or harvest yield.

  2. 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

  3. Systematic NMR Analysis of Stable Isotope Labeled Metabolite Mixtures in Plant and Animal Systems: Coarse Grained Views of Metabolic Pathways

    Science.gov (United States)

    Chikayama, Eisuke; Suto, Michitaka; Nishihara, Takashi; Shinozaki, Kazuo; Hirayama, Takashi; Kikuchi, Jun

    2008-01-01

    Background Metabolic phenotyping has become an important ‘bird's-eye-view’ technology which can be applied to higher organisms, such as model plant and animal systems in the post-genomics and proteomics era. Although genotyping technology has expanded greatly over the past decade, metabolic phenotyping has languished due to the difficulty of ‘top-down’ chemical analyses. Here, we describe a systematic NMR methodology for stable isotope-labeling and analysis of metabolite mixtures in plant and animal systems. Methodology/Principal Findings The analysis method includes a stable isotope labeling technique for use in living organisms; a systematic method for simultaneously identifying a large number of metabolites by using a newly developed HSQC-based metabolite chemical shift database combined with heteronuclear multidimensional NMR spectroscopy; Principal Components Analysis; and a visualization method using a coarse-grained overview of the metabolic system. The database contains more than 1000 1H and 13C chemical shifts corresponding to 142 metabolites measured under identical physicochemical conditions. Using the stable isotope labeling technique in Arabidopsis T87 cultured cells and Bombyx mori, we systematically detected >450 HSQC peaks in each 13C-HSQC spectrum derived from model plant, Arabidopsis T87 cultured cells and the invertebrate animal model Bombyx mori. Furthermore, for the first time, efficient 13C labeling has allowed reliable signal assignment using analytical separation techniques such as 3D HCCH-COSY spectra in higher organism extracts. Conclusions/Significance Overall physiological changes could be detected and categorized in relation to a critical developmental phase change in B. mori by coarse-grained representations in which the organization of metabolic pathways related to a specific developmental phase was visualized on the basis of constituent changes of 56 identified metabolites. Based on the observed intensities of 13C atoms of

  4. Interplay between grain structure and protein adsorption on functional response of osteoblasts: ultrafine-grained versus coarse-grained substrates.

    Science.gov (United States)

    Misra, R D K; Nune, C; Pesacreta, T C; Somani, M C; Karjalainen, L P

    2013-01-01

    The rapid adsorption of proteins is the starting and primary biological response that occurs when a biomedical device is implanted in the physiological system. The biological response, however, depends on the surface characteristics of the device. Considering the significant interest in nano-/ultrafine surfaces and nanostructured coatings, we describe here, the interplay between grain structure and protein adsorption (bovine serum albumin: BSA) on osteoblasts functions by comparing nanograined/ultrafine-grained (NG/UFG) and coarse-grained (CG: grain size in the micrometer range) substrates by investigating cell-substrate interactions. The protein adsorption on NG/UFG surface was beneficial in favorably modulating biological functions including cell attachment, proliferation, and viability, whereas the effect was less pronounced on protein adsorbed CG surface. Additionally, immunofluorescence studies demonstrated stronger vinculin signals associated with actin stress fibers in the outer regions of the cells and cellular extensions on protein adsorbed NG/UFG surface. The functional response followed the sequence: NG/UFG(BSA) > NG/UFG > CG(BSA) > CG. The differences in the cellular response on bare and protein adsorbed NG/UFG and CG surfaces are attributed to cumulative contribution of grain structure and degree of hydrophilicity. The study underscores the potential advantages of protein adsorption on artificial biomedical devices to enhance the bioactivity and regulate biological functions. Copyright © 2012 Wiley Periodicals, Inc.

  5. 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.

  6. Approach and results of the PWR low power and shutdown accident frequencies program - Coarse screening analysis for Surry

    International Nuclear Information System (INIS)

    Chu, T.L.; Musicki, Z.; Luckas, W.; Wong, S.M.; Fitzpatrick, R.G.

    1991-01-01

    Traditionally, probabilistic risk analyses of severe accidents in nuclear power plants have limited themselves to consideration of the set of initiating events occurring during full power operation. However, some analyses of accident initiators during low power, shutdown, and other modes of plant operation other than full power have been performed. These studies as well as the Chernobyl accident and recent operating experience at US pressurized water reactors (PWRs) suggested that risks during low power and shutdown could be significant. As such, the analysis of the frequencies, consequences, and risks of these accidents was identified as one task in the Nuclear Regulatory Commission staff's study of the implications of the Chernobyl accident to US commercial nuclear power plants. This program is an ongoing high priority effort at Brookhaven National Laboratory (BNL). The scope includes a Level 1 probabilistic risk assessment (PRA) with internal fire and flood for Surry Unit 1 (PWR). This program is also closely coupled to a parallel project for the Grand Gulf plant (BWWR) being conducted by SNL. The program is being performed in two phases. Phase 1 represents a coarse screening analysis to identify dominant accident scenarios as well as risk dominant plant configurations and plant operating states. In Phase 2, a detailed PRA will be performed for the dominant accident scenarios/operating states identified in Phase 1. The objectives, results and insights of Phase 1 are discussed in the paper

  7. Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations.

    Science.gov (United States)

    Müller, Erich A; Jackson, George

    2014-01-01

    A description of fluid systems with molecular-based algebraic equations of state (EoSs) and by direct molecular simulation is common practice in chemical engineering and the physical sciences, but the two approaches are rarely closely coupled. The key for an integrated representation is through a well-defined force field and Hamiltonian at the molecular level. In developing coarse-grained intermolecular potential functions for the fluid state, one typically starts with a detailed, bottom-up quantum-mechanical or atomic-level description and then integrates out the unwanted degrees of freedom using a variety of techniques; an iterative heuristic simulation procedure is then used to refine the parameters of the model. By contrast, with a top-down technique, one can use an accurate EoS to link the macroscopic properties of the fluid and the force-field parameters. We discuss the latest developments in a top-down representation of fluids, with a particular focus on a group-contribution formulation of the statistical associating fluid theory (SAFT-γ). The accurate SAFT-γ EoS is used to estimate the parameters of the Mie force field, which can then be used with confidence in direct molecular simulations to obtain thermodynamic, structural, interfacial, and dynamical properties that are otherwise inaccessible from the EoS. This is exemplified for several prototypical fluids and mixtures, including carbon dioxide, hydrocarbons, perfluorohydrocarbons, and aqueous surfactants.

  8. 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.

  9. 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.

  10. Random Forest Based Coarse Locating and KPCA Feature Extraction for Indoor Positioning System

    Directory of Open Access Journals (Sweden)

    Yun Mo

    2014-01-01

    Full Text Available With the fast developing of mobile terminals, positioning techniques based on fingerprinting method draw attention from many researchers even world famous companies. To conquer some shortcomings of the existing fingerprinting systems and further improve the system performance, on the one hand, in the paper, we propose a coarse positioning method based on random forest, which is able to customize several subregions, and classify test point to the region with an outstanding accuracy compared with some typical clustering algorithms. On the other hand, through the mathematical analysis in engineering, the proposed kernel principal component analysis algorithm is applied for radio map processing, which may provide better robustness and adaptability compared with linear feature extraction methods and manifold learning technique. We build both theoretical model and real environment for verifying the feasibility and reliability. The experimental results show that the proposed indoor positioning system could achieve 99% coarse locating accuracy and enhance 15% fine positioning accuracy on average in a strong noisy environment compared with some typical fingerprinting based methods.

  11. 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.

  12. Principal component analysis acceleration of rovibrational coarse-grain models for internal energy excitation and dissociation

    Science.gov (United States)

    Bellemans, Aurélie; Parente, Alessandro; Magin, Thierry

    2018-04-01

    The present work introduces a novel approach for obtaining reduced chemistry representations of large kinetic mechanisms in strong non-equilibrium conditions. The need for accurate reduced-order models arises from compression of large ab initio quantum chemistry databases for their use in fluid codes. The method presented in this paper builds on existing physics-based strategies and proposes a new approach based on the combination of a simple coarse grain model with Principal Component Analysis (PCA). The internal energy levels of the chemical species are regrouped in distinct energy groups with a uniform lumping technique. Following the philosophy of machine learning, PCA is applied on the training data provided by the coarse grain model to find an optimally reduced representation of the full kinetic mechanism. Compared to recently published complex lumping strategies, no expert judgment is required before the application of PCA. In this work, we will demonstrate the benefits of the combined approach, stressing its simplicity, reliability, and accuracy. The technique is demonstrated by reducing the complex quantum N2(g+1Σ) -N(S4u ) database for studying molecular dissociation and excitation in strong non-equilibrium. Starting from detailed kinetics, an accurate reduced model is developed and used to study non-equilibrium properties of the N2(g+1Σ) -N(S4u ) system in shock relaxation simulations.

  13. 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.

  14. 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.

  15. On the representability problem and the physical meaning of coarse-grained models

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, Jacob W.; Dama, James F.; Durumeric, Aleksander E. P.; Voth, Gregory A., E-mail: gavoth@uchicago.edu [Department of Chemistry, James Franck Institute, Institute for Biophysical Dynamics, and Computation Institute, The University of Chicago, Chicago, Illinois 60637 (United States)

    2016-07-28

    In coarse-grained (CG) models where certain fine-grained (FG, i.e., atomistic resolution) observables are not directly represented, one can nonetheless identify indirect the CG observables that capture the FG observable’s dependence on CG coordinates. Often, in these cases it appears that a CG observable can be defined by analogy to an all-atom or FG observable, but the similarity is misleading and significantly undermines the interpretation of both bottom-up and top-down CG models. Such problems emerge especially clearly in the framework of the systematic bottom-up CG modeling, where a direct and transparent correspondence between FG and CG variables establishes precise conditions for consistency between CG observables and underlying FG models. Here we present and investigate these representability challenges and illustrate them via the bottom-up conceptual framework for several simple analytically tractable polymer models. The examples provide special focus on the observables of configurational internal energy, entropy, and pressure, which have been at the root of controversy in the CG literature, as well as discuss observables that would seem to be entirely missing in the CG representation but can nonetheless be correlated with CG behavior. Though we investigate these problems in the framework of systematic coarse-graining, the lessons apply to top-down CG modeling also, with crucial implications for simulation at constant pressure and surface tension and for the interpretations of structural and thermodynamic correlations for comparison to experiment.

  16. Optimization of nanolime solvent for the consolidation of coarse porous limestone

    Science.gov (United States)

    Borsoi, Giovanni; Lubelli, Barbara; van Hees, Rob; Veiga, Rosário; Silva, António Santos

    2016-09-01

    The potentialities of nanomaterials for application in the field of conservation have been widely investigated in the last two decades. Among nanomaterials, nanolimes, i.e., dispersions of lime nanoparticles in alcohols are promising consolidating products for calcareous materials. Nanolimes are effective in recovering the very superficial loss of cohesion of decayed materials, but they do not always provide sufficient mass consolidation. This limitation is mainly related to the deposition of the nanoparticles nearby the surface of the material. Experimental research has been set up with the aim of improving the in-depth deposition of lime nanoparticles. Previous research by the authors has shown that nanolime deposition within a substrate can be controlled by adapting the nanolimes properties (kinetic stability and evaporation rate) to the moisture transport behavior of the substrate. Nanolime properties can be modified by the use of different solvents. In this research, nanolime dispersions have been further optimized for application on Maastricht limestone, a coarse porous limestone. Firstly, nanolimes were synthesized and dispersed in ethanol and/or water, both pure and mixed in different percentages. Subsequently, based on the kinetic stability of the nanolime dispersions, the most promising solvent mixtures were selected and applied on the limestone. The deposition of lime nanoparticles within the limestone was studied by phenolphthalein test, optical microscopy and scanning electron microscopy. The results confirm that nanolime dispersed in a mixture of ethanol (95 %) and water (5 %) can guarantee a better nanoparticles in-depth deposition within coarse porous substrates, when compared to dispersions in pure ethanol.

  17. Systematic hierarchical coarse-graining with the inverse Monte Carlo method

    Energy Technology Data Exchange (ETDEWEB)

    Lyubartsev, Alexander P., E-mail: alexander.lyubartsev@mmk.su.se [Division of Physical Chemistry, Arrhenius Laboratory, Stockholm University, S 106 91 Stockholm (Sweden); Naômé, Aymeric, E-mail: aymeric.naome@unamur.be [Division of Physical Chemistry, Arrhenius Laboratory, Stockholm University, S 106 91 Stockholm (Sweden); UCPTS Division, University of Namur, 61 Rue de Bruxelles, B 5000 Namur (Belgium); Vercauteren, Daniel P., E-mail: daniel.vercauteren@unamur.be [UCPTS Division, University of Namur, 61 Rue de Bruxelles, B 5000 Namur (Belgium); Laaksonen, Aatto, E-mail: aatto@mmk.su.se [Division of Physical Chemistry, Arrhenius Laboratory, Stockholm University, S 106 91 Stockholm (Sweden); Science for Life Laboratory, 17121 Solna (Sweden)

    2015-12-28

    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.

  18. Using phase information to enhance speckle noise reduction in the ultrasonic NDE of coarse grain materials

    Energy Technology Data Exchange (ETDEWEB)

    Lardner, Timothy; Gachagan, Anthony [Centre for Ultrasonic Engineering, University of Strathclyde, Glasgow, G1 1XW (United Kingdom); Li, Minghui [School of Engineering, University of Glasgow, Glasgow, G12 8QQ (United Kingdom)

    2014-02-18

    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.

  19. A coarse-to-fine approach for medical hyperspectral image classification with sparse representation

    Science.gov (United States)

    Chang, Lan; Zhang, Mengmeng; Li, Wei

    2017-10-01

    A coarse-to-fine approach with sparse representation is proposed for medical hyperspectral image classification in this work. Segmentation technique with different scales is employed to exploit edges of the input image, where coarse super-pixel patches provide global classification information while fine ones further provide detail information. Different from common RGB image, hyperspectral image has multi bands to adjust the cluster center with more high precision. After segmentation, each super pixel is classified by recently-developed sparse representation-based classification (SRC), which assigns label for testing samples in one local patch by means of sparse linear combination of all the training samples. Furthermore, segmentation with multiple scales is employed because single scale is not suitable for complicate distribution of medical hyperspectral imagery. Finally, classification results for different sizes of super pixel are fused by some fusion strategy, offering at least two benefits: (1) the final result is obviously superior to that of segmentation with single scale, and (2) the fusion process significantly simplifies the choice of scales. Experimental results using real medical hyperspectral images demonstrate that the proposed method outperforms the state-of-the-art SRC.

  20. A coarse-to-fine approach for pericardial effusion localization and segmentation in chest CT scans

    Science.gov (United States)

    Liu, Jiamin; Chellamuthu, Karthik; Lu, Le; Bagheri, Mohammadhadi; Summers, Ronald M.

    2018-02-01

    Pericardial effusion on CT scans demonstrates very high shape and volume variability and very low contrast to adjacent structures. This inhibits traditional automated segmentation methods from achieving high accuracies. Deep neural networks have been widely used for image segmentation in CT scans. In this work, we present a two-stage method for pericardial effusion localization and segmentation. For the first step, we localize the pericardial area from the entire CT volume, providing a reliable bounding box for the more refined segmentation step. A coarse-scaled holistically-nested convolutional networks (HNN) model is trained on entire CT volume. The resulting HNN per-pixel probability maps are then threshold to produce a bounding box covering the pericardial area. For the second step, a fine-scaled HNN model is trained only on the bounding box region for effusion segmentation to reduce the background distraction. Quantitative evaluation is performed on a dataset of 25 CT scans of patient (1206 images) with pericardial effusion. The segmentation accuracy of our two-stage method, measured by Dice Similarity Coefficient (DSC), is 75.59+/-12.04%, which is significantly better than the segmentation accuracy (62.74+/-15.20%) of only using the coarse-scaled HNN model.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-07

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

  3. 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.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  5. 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.

  6. 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.

  7. 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.

  8. Weak Galilean invariance as a selection principle for coarse-grained diffusive models.

    Science.gov (United States)

    Cairoli, Andrea; Klages, Rainer; Baule, Adrian

    2018-05-29

    How does the mathematical description of a system change in different reference frames? Galilei first addressed this fundamental question by formulating the famous principle of Galilean invariance. It prescribes that the equations of motion of closed systems remain the same in different inertial frames related by Galilean transformations, thus imposing strong constraints on the dynamical rules. However, real world systems are often described by coarse-grained models integrating complex internal and external interactions indistinguishably as friction and stochastic forces. Since Galilean invariance is then violated, there is seemingly no alternative principle to assess a priori the physical consistency of a given stochastic model in different inertial frames. Here, starting from the Kac-Zwanzig Hamiltonian model generating Brownian motion, we show how Galilean invariance is broken during the coarse-graining procedure when deriving stochastic equations. Our analysis leads to a set of rules characterizing systems in different inertial frames that have to be satisfied by general stochastic models, which we call "weak Galilean invariance." Several well-known stochastic processes are invariant in these terms, except the continuous-time random walk for which we derive the correct invariant description. Our results are particularly relevant for the modeling of biological systems, as they provide a theoretical principle to select physically consistent stochastic models before a validation against experimental data.

  9. Multiscale modeling, coarse-graining and shock wave computer simulationsin materials science

    Directory of Open Access Journals (Sweden)

    Martin O. Steinhauser

    2017-12-01

    Full Text Available My intention in this review article is to briefly discuss several major topics of presentdaycomputational materials science in order to show their importance for state-of-the-art materialsmodeling and computer simulation. The topics I discuss are multiscale modeling approaches forhierarchical systems such as biological macromolecules and related coarse-graining techniques, whichprovide an effcient means to investigate systems on the mesoscale, and shock wave physics whichhas many important and interesting multi- and interdisciplinary applications in research areas wherephysics, biology, chemistry, computer science, medicine and even engineering meet. In fact, recently,as a new emerging field, the use of coarse-grained approaches for the simulation of biologicalmacromolecules such as lipids and bilayer membranes and the investigation of their interaction withshock waves has become very popular. This emerging area of research may contribute not only toan improved understanding of the microscopic details of molecular self-assembly but may also leadto enhanced medical tumor treatments which are based on the destructive effects of High IntensityFocused Ultrasound (HIFU or shock waves when interacting with biological cells and tissue; theseare treatments which have been used in medicine for many years, but which are not well understoodfrom a fundamental physical point of view.

  10. 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.

  11. 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

  12. Coarse root topology of Norway spruce (Picea abies) and its effects on slope stability

    Science.gov (United States)

    Lith, Aniek; Schmaltz, Elmar; Bogaard, Thom; Keesstra, Saskia

    2017-04-01

    The structural distribution of coarse roots and its beneficial effects on soil reinforcement has widely been assessed. However, it is still not fully understood how topological features of coarse roots (e.g. branching patterns) are affected by slope inclination and further influence the ability of young trees to reinforce soil. This study aims to analyse empirically the impact of slope gradient on the topological development of coarse roots and thus to assess its effects on soil reinforcement. We performed root system excavations on two young Picea abies: tree A on a gently inclined plane (β ≈ 12°) where slope failures are not expected; tree B on a slope (β ≈ 35°) with failure potential. The diameter (d) of the segments between distinct root nodes (root ends, branching locations, direction changes and attachments to stem) of coarse roots (d > 2mm) were measured in situ. The spatial coordinates (x,y,z) of the nodes and surface were measured on a plane raster grid, from which segment length (ls), direction and inclination towards the surface (βr) were derived. Roots and segments were classified into laterals (βr classifications (FSC), to obtain quantitative relations between the topological order and number of segments, total and average ls. The maximal root cohesion (cr) of each segment was assessed using material specific tensile forces (Tr), root area ratio (RAR) and βr, assuming that a potential slip surface would cross the root system parallel to the slope. Laterals depicted the majority of roots (57 %) for tree A orientated rather in upslope direction (76.8 %), whereas tree B showed mostly obliques (54 %) orientated rather in downslope direction (55.4 %). Vertical roots were scarcely observable for both trees. DSC showed a high r2 (> 0.84) for the segments and ls. FSC showed high r2 (> 0.95) for the number of segments and the total length. RAR values of tree B are distributed rather upslope (76.8 % of RARtot), compared to 44.5 % of RARtot for tree A

  13. 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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  15. 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

  16. 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.

  17. 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

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

    Science.gov (United States)

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

    2012-10-01

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

  19. A coarse-graining approach for molecular simulation that retains the dynamics of the all-atom reference system by implementing hydrodynamic interactions

    Energy Technology Data Exchange (ETDEWEB)

    Markutsya, Sergiy [Ames Laboratory, Iowa State University, Ames, Iowa 50011 (United States); Lamm, Monica H., E-mail: mhlamm@iastate.edu [Ames Laboratory, Iowa State University, Ames, Iowa 50011 (United States); Department of Chemical and Biological Engineering, Iowa State University, Ames, Iowa 50011 (United States)

    2014-11-07

    We report on a new approach for deriving coarse-grained intermolecular forces that retains the frictional contribution that is often discarded by conventional coarse-graining methods. The approach is tested for water and an aqueous glucose solution, and the results from the new implementation for coarse-grained molecular dynamics simulation show remarkable agreement with the dynamics obtained from reference all-atom simulations. The agreement between the structural properties observed in the coarse-grained and all-atom simulations is also preserved. We discuss how this approach may be applied broadly to any existing coarse-graining method where the coarse-grained models are rigorously derived from all-atom reference systems.

  20. A coarse-graining approach for molecular simulation that retains the dynamics of the all-atom reference system by implementing hydrodynamic interactions

    International Nuclear Information System (INIS)

    Markutsya, Sergiy; Lamm, Monica H.

    2014-01-01

    We report on a new approach for deriving coarse-grained intermolecular forces that retains the frictional contribution that is often discarded by conventional coarse-graining methods. The approach is tested for water and an aqueous glucose solution, and the results from the new implementation for coarse-grained molecular dynamics simulation show remarkable agreement with the dynamics obtained from reference all-atom simulations. The agreement between the structural properties observed in the coarse-grained and all-atom simulations is also preserved. We discuss how this approach may be applied broadly to any existing coarse-graining method where the coarse-grained models are rigorously derived from all-atom reference systems