Application of annular centrifugal contactors in the hot test of the improved total partitioning process for high level liquid waste.

Science.gov (United States)

Duan, Wuhua; Chen, Jing; Wang, Jianchen; Wang, Shuwei; Feng, Xiaogui; Wang, Xinghai; Li, Shaowei; Xu, Chao

2014-08-15

High level liquid waste (HLLW) produced from the reprocessing of the spent nuclear fuel still contains moderate amounts of uranium, transuranium (TRU) actinides, (90)Sr, (137)Cs, etc., and thus constitutes a permanent hazard to the environment. The partitioning and transmutation (P&T) strategy has increasingly attracted interest for the safe treatment and disposal of HLLW, in which the partitioning of HLLW is one of the critical technical issues. An improved total partitioning process, including a TRPO (tri-alkylphosphine oxide) process for the removal of actinides, a CESE (crown ether strontium extraction) process for the removal of Sr, and a CECE (calixcrown ether cesium extraction) process for the removal of Cs, has been developed to treat Chinese HLLW. A 160-hour hot test of the improved total partitioning process was carried out using 72-stage 10-mm-dia annular centrifugal contactors (ACCs) and genuine HLLW. The hot test results showed that the average DFs of total α activity, Sr and Cs were 3.57 × 10(3), 2.25 × 10(4) and 1.68 × 10(4) after the hot test reached equilibrium, respectively. During the hot test, 72-stage 10-mm-dia ACCs worked stable, continuously with no stage failing or interruption of the operation. Copyright © 2014 Elsevier B.V. All rights reserved.

Dietary energy sources affect the partition of body lipids and the hierarchy of energy metabolic pathways in growing pigs differing in feed efficiency.

Science.gov (United States)

Gondret, F; Louveau, I; Mourot, J; Duclos, M J; Lagarrigue, S; Gilbert, H; van Milgen, J

2014-11-01

The use and partition of feed energy are key elements in productive efficiency of pigs. This study aimed to determine whether dietary energy sources affect the partition of body lipids and tissue biochemical pathways of energy use between pigs differing in feed efficiency. Forty-eight barrows (pure Large White) from two divergent lines selected for residual feed intake (RFI), a measure of feed efficiency, were compared. From 74 d to 132 ± 0.5 d of age, pigs (n = 12 by line and by diet) were offered diets with equal protein and ME contents. A low fat, low fiber diet (LF) based on cereals and a high fat, high fiber diet (HF) where vegetal oils and wheat straw were used to partially substitute cereals, were compared. Irrespective of diet, gain to feed was 10% better (P energy sources modified the partition of energy between liver, adipose tissue, and muscle in a way that was partly dependent of the genetics for feed efficiency, and changed the activity levels of biochemical pathways involved in lipid and glucose storage in tissues.

Partitioning of respiratory energy and environmental tolerance in the copepods Calanipeda aquaedulcis and Arctodiaptomus salinus

Science.gov (United States)

Svetlichny, Leonid; Khanaychenko, Antonina; Hubareva, Elena; Aganesova, Larisa

2012-12-01

Total and basal metabolism was studied in the widely distributed copepod species Calanipeda aquaedulcis and Arctodiaptomus salinus of both genders in order to estimate respiratory energy partitioning. Specific oxygen consumption was found to double in C. aquaedulcis than in A. salinus, and double in males than in females both in terms of total and basal metabolism. Respiration rates in females carrying ovisacs were 1.49 and 1.43 times higher than those in females without ovisacs for C. aquaedulcis and A. salinus, respectively. Extra energy expenditures are due to carrying ovisacs and egg respiration. There was no significant effect of salinity (0.1-40), oxygen concentration (1-8 mg O2 l-1) or crowding on oxygen consumption confirming the hypothesis that C. aquaedulcis and A. salinus are the animals with a type of respiratory metabolism independent of salinity and oxygen concentration. At critical oxygen concentrations less than 1 mg O2 l-1 respiration rate fell notably by approximately an order of magnitude in both species and in both genders.

Residual feed intake in young chickens : effects on energy partitioning and immunity

NARCIS (Netherlands)

Eerden, van E.

2007-01-01

Keywords: chicken, residual feed intake, resource allocation, immune response, Salmonella Enteritidis, energy partitioning.The continuous selection in farm animals for efficient production and high production levels may have led to animals that are "programmed" to put a lot of

Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.

Science.gov (United States)

Lara, A; Riquelme, M; Vöhringer-Martinez, E

2018-05-11

Partition coefficients serve in various areas as pharmacology and environmental sciences to predict the hydrophobicity of different substances. Recently, they have also been used to address the accuracy of force fields for various organic compounds and specifically the methylated DNA bases. In this study, atomic charges were derived by different partitioning methods (Hirshfeld and Minimal Basis Iterative Stockholder) directly from the electron density obtained by electronic structure calculations in a vacuum, with an implicit solvation model or with explicit solvation taking the dynamics of the solute and the solvent into account. To test the ability of these charges to describe electrostatic interactions in force fields for condensed phases, the original atomic charges of the AMBER99 force field were replaced with the new atomic charges and combined with different solvent models to obtain the hydration and chloroform solvation free energies by molecular dynamics simulations. Chloroform-water partition coefficients derived from the obtained free energies were compared to experimental and previously reported values obtained with the GAFF or the AMBER-99 force field. The results show that good agreement with experimental data is obtained when the polarization of the electron density by the solvent has been taken into account, and when the energy needed to polarize the electron density of the solute has been considered in the transfer free energy. These results were further confirmed by hydration free energies of polar and aromatic amino acid side chain analogs. Comparison of the two partitioning methods, Hirshfeld-I and Minimal Basis Iterative Stockholder (MBIS), revealed some deficiencies in the Hirshfeld-I method related to the unstable isolated anionic nitrogen pro-atom used in the method. Hydration free energies and partitioning coefficients obtained with atomic charges from the MBIS partitioning method accounting for polarization by the implicit solvation model

Nutrient and carbohydrate partitioning in sorghum stover

International Nuclear Information System (INIS)

Powell, J.M.; Hons, F.M.; McBee, G.G.

1991-01-01

Sorghum [Sorghum bicolor (L.) Moench] stover has been demonstrated to be a potential biomass energy source. Complete aboveground crop removal, however, can result in soil degradation. Differential dry matter, nutrient, and carbohydrate partitioning by sorghum cultivars may allow management strategies that return certain parts to the field while removing other portions for alternative uses, such as energy production. A field study was conducted to determine N,P,K, nonstructural carbohydrate, cellulose hemicellulose, and lignin distributions in stover of three diverse sorghum cultivars of differing harvest indices. Determinations were based on total vegetative biomass; total blades; total stalks; and upper middle, and lower blades and stalks. Concentrations of N and P were higher in blades than stalks and generally declines from upper to lower stover parts. Large carbohydrate and lignin concentration differences were observed on the basis of cultivar and stover part. Greater nutrient partitioning to the upper third of the intermediate and forage-type sorghum stovers was observed as compared to the conventional grain cultivar. Stover carbohydrates for all cultivars were mainly contained in the lower two-thirds of the stalk fraction. A system was proposed for returning upper stover portion to soil, while removing remaining portions for alternative uses

Genetic background in partitioning of metabolizable energy efficiency in dairy cows.

Science.gov (United States)

Mehtiö, T; Negussie, E; Mäntysaari, P; Mäntysaari, E A; Lidauer, M H

2018-05-01

The main objective of this study was to assess the genetic differences in metabolizable energy efficiency and efficiency in partitioning metabolizable energy in different pathways: maintenance, milk production, and growth in primiparous dairy cows. Repeatability models for residual energy intake (REI) and metabolizable energy intake (MEI) were compared and the genetic and permanent environmental variations in MEI were partitioned into its energy sinks using random regression models. We proposed 2 new feed efficiency traits: metabolizable energy efficiency (MEE), which is formed by modeling MEI fitting regressions on energy sinks [metabolic body weight (BW 0.75 ), energy-corrected milk, body weight gain, and body weight loss] directly; and partial MEE (pMEE), where the model for MEE is extended with regressions on energy sinks nested within additive genetic and permanent environmental effects. The data used were collected from Luke's experimental farms Rehtijärvi and Minkiö between 1998 and 2014. There were altogether 12,350 weekly MEI records on 495 primiparous Nordic Red dairy cows from wk 2 to 40 of lactation. Heritability estimates for REI and MEE were moderate, 0.33 and 0.26, respectively. The estimate of the residual variance was smaller for MEE than for REI, indicating that analyzing weekly MEI observations simultaneously with energy sinks is preferable. Model validation based on Akaike's information criterion showed that pMEE models fitted the data even better and also resulted in smaller residual variance estimates. However, models that included random regression on BW 0.75 converged slowly. The resulting genetic standard deviation estimate from the pMEE coefficient for milk production was 0.75 MJ of MEI/kg of energy-corrected milk. The derived partial heritabilities for energy efficiency in maintenance, milk production, and growth were 0.02, 0.06, and 0.04, respectively, indicating that some genetic variation may exist in the efficiency of using

Near Source Energy Partitioning for Regional Waves in 2D and 3D Models

National Research Council Canada - National Science Library

Xie, Xiao-Bi; Lay, Thome; Wu, Ru-Shan

2008-01-01

...) to calculate seismic wave excitation and propagation in near-source region. An embedded array slowness analysis is used for quantifying how energy will be partitioned into the long-range propagation regime...

Energy partitioning constraints at kinetic scales in low-β turbulence

Science.gov (United States)

Gershman, Daniel J.; F.-Viñas, Adolfo; Dorelli, John C.; Goldstein, Melvyn L.; Shuster, Jason; Avanov, Levon A.; Boardsen, Scott A.; Stawarz, Julia E.; Schwartz, Steven J.; Schiff, Conrad; Lavraud, Benoit; Saito, Yoshifumi; Paterson, William R.; Giles, Barbara L.; Pollock, Craig J.; Strangeway, Robert J.; Russell, Christopher T.; Torbert, Roy B.; Moore, Thomas E.; Burch, James L.

2018-02-01

Turbulence is a fundamental physical process through which energy injected into a system at large scales cascades to smaller scales. In collisionless plasmas, turbulence provides a critical mechanism for dissipating electromagnetic energy. Here, we present observations of plasma fluctuations in low-β turbulence using data from NASA's Magnetospheric Multiscale mission in Earth's magnetosheath. We provide constraints on the partitioning of turbulent energy density in the fluid, ion-kinetic, and electron-kinetic ranges. Magnetic field fluctuations dominated the energy density spectrum throughout the fluid and ion-kinetic ranges, consistent with previous observations of turbulence in similar plasma regimes. However, at scales shorter than the electron inertial length, fluctuation power in electron kinetic energy significantly exceeded that of the magnetic field, resulting in an electron-motion-regulated cascade at small scales. This dominance is highly relevant for the study of turbulence in highly magnetized laboratory and astrophysical plasmas.

Production and Energy Partition of Lactating Dairy Goats Fed Rations Containing Date Fruit Waste

Directory of Open Access Journals (Sweden)

E. Yuniarti

2016-04-01

Full Text Available Dates fruit waste (DFW is a by-product of dates juice industry that contains high energy. So, it is suitable for an energy source in dairy goat ration. This study was conducted to observe the effect of DFW utilization in the ration on energy partition and productivity of lactating dairy goats. The experimental design was randomized block design using 9 primiparous lactating dairy goats. There were three types of ration as treatments used in this study, i.e. R0= 35% forage + 65% concentrate, R1= 35% forage + 55% concentrate + 10% DFW, and R2= 35% forage + 45% concentrate + 20% DFW. Data were analyzed using ANOVA and polynomial orthogonal test. The evaluated variables were dry matter intake (DMI, energy partition including energy intake, digestible and metabolizable energy, fecal and urine energy, energy in methane gas, and energy in milk, milk production and quality. The results showed that the linear decreased of DMI, energy intake, digestible energy, metabolizable energy, and urine energy with the increased of DFW level in the rations. The use of 10% DFW (R1 showed the lowest energy loss through feces and methane gas of all treatments about 1089.57 kcal/head/d and 2.36 kcal/head/d, respectively. The use of DFW did not affect energy retention in milk. The utilization of DFW in ration did not significantly prevent the decline of milk production and milk quality. It can be concluded that DFW can be used as an alternative feed for the lactating dairy goat up to 10% in the ration.

CURRENT SHEET ENERGETICS, FLARE EMISSIONS, AND ENERGY PARTITION IN A SIMULATED SOLAR ERUPTION

International Nuclear Information System (INIS)

Reeves, Katharine K.; Linker, Jon A.; Mikic, Zoran; Forbes, Terry G.

2010-01-01

We investigate coronal energy flow during a simulated coronal mass ejection (CME). We model the CME in the context of the global corona using a 2.5D numerical MHD code in spherical coordinates that includes coronal heating, thermal conduction, and radiative cooling in the energy equation. The simulation domain extends from 1 to 20 R s . To our knowledge, this is the first attempt to apply detailed energy diagnostics in a flare/CME simulation when these important terms are considered in the context of the MHD equations. We find that the energy conservation properties of the code are quite good, conserving energy to within 4% for the entire simulation (more than 6 days of real time). We examine the energy release in the current sheet as the eruption takes place, and find, as expected, that the Poynting flux is the dominant carrier of energy into the current sheet. However, there is a significant flow of energy out of the sides of the current sheet into the upstream region due to thermal conduction along field lines and viscous drag. This energy outflow is spatially partitioned into three separate components, namely, the energy flux flowing out the sides of the current sheet, the energy flowing out the lower tip of the current sheet, and the energy flowing out the upper tip of the current sheet. The energy flow through the lower tip of the current sheet is the energy available for heating of the flare loops. We examine the simulated flare emissions and energetics due to the modeled CME and find reasonable agreement with flare loop morphologies and energy partitioning in observed solar eruptions. The simulation also provides an explanation for coronal dimming during eruptions and predicts that the structures surrounding the current sheet are visible in X-ray observations.

Partitioning of late gestation energy expenditure in ewes using indirect calorimetry and a linear regression approach

DEFF Research Database (Denmark)

Kiani, Alishir; Chwalibog, André; Nielsen, Mette O

2007-01-01

Late gestation energy expenditure (EE(gest)) originates from energy expenditure (EE) of development of conceptus (EE(conceptus)) and EE of homeorhetic adaptation of metabolism (EE(homeorhetic)). Even though EE(gest) is relatively easy to quantify, its partitioning is problematic. In the present...... study metabolizable energy (ME) intake ranges for twin-bearing ewes were 220-440, 350- 700, 350-900 kJ per metabolic body weight (W0.75) at week seven, five, two pre-partum respectively. Indirect calorimetry and a linear regression approach were used to quantify EE(gest) and then partition to EE......(conceptus) and EE(homeorhetic). Energy expenditure of basal metabolism of the non-gravid tissues (EE(bmng)), derived from the intercept of the linear regression equation of retained energy [kJ/W0.75] and ME intake [kJ/W(0.75)], was 298 [kJ/ W0.75]. Values of the intercepts of the regression equations at week seven...

The evaporative fraction as a measure of surface energy partitioning

Energy Technology Data Exchange (ETDEWEB)

Nichols, W.E. [Pacific Northwest Lab., Richland, WA (United States); Cuenca, R.H. [Oregon State Univ., Corvallis, OR (United States)

1990-12-31

The evaporative fraction is a ratio that expresses the proportion of turbulent flux energy over land surfaces devoted to evaporation and transpiration (evapotranspiration). It has been used to characterize the energy partition over land surfaces and has potential for inferring daily energy balance information based on mid-day remote sensing measurements. The HAPEX-MOBILHY program`s SAMER system provided surface energy balance data over a range of agricultural crops and soil types. The databases from this large-scale field experiment was analyzed for the purpose of studying the behavior and daylight stability of the evaporative fraction in both ideal and general meteorological conditions. Strong linear relations were found to exist between the mid-day evaporative fraction and the daylight mean evaporative fraction. Statistical tests however rejected the hypothesis that the two quantities were equal. The relations between the evaporative fraction and the surface soil moisture as well as soil moisture in the complete vegetation root zone were also explored.

The evaporative fraction as a measure of surface energy partitioning

Energy Technology Data Exchange (ETDEWEB)

Nichols, W.E. (Pacific Northwest Lab., Richland, WA (United States)); Cuenca, R.H. (Oregon State Univ., Corvallis, OR (United States))

1990-01-01

The evaporative fraction is a ratio that expresses the proportion of turbulent flux energy over land surfaces devoted to evaporation and transpiration (evapotranspiration). It has been used to characterize the energy partition over land surfaces and has potential for inferring daily energy balance information based on mid-day remote sensing measurements. The HAPEX-MOBILHY program's SAMER system provided surface energy balance data over a range of agricultural crops and soil types. The databases from this large-scale field experiment was analyzed for the purpose of studying the behavior and daylight stability of the evaporative fraction in both ideal and general meteorological conditions. Strong linear relations were found to exist between the mid-day evaporative fraction and the daylight mean evaporative fraction. Statistical tests however rejected the hypothesis that the two quantities were equal. The relations between the evaporative fraction and the surface soil moisture as well as soil moisture in the complete vegetation root zone were also explored.

Element partitioning in combustion- and gasification-based waste-to-energy units

International Nuclear Information System (INIS)

Arena, Umberto; Di Gregorio, Fabrizio

2013-01-01

Highlights: ► Element partitioning of waste-to-energy units by means of a substance flow analysis. ► A comparison between moving grate combustors and high temperature gasifiers. ► Classification of key elements according to their behavior during WtE processes. ► Slags and metals from waste gasifiers are completely and immediately recyclable. ► Potential reduction of amounts of solid residue to be sent to landfill disposal. - Abstract: A critical comparison between combustion- and gasification-based waste-to-energy systems needs a deep knowledge of the mass flows of materials and elements inside and throughout the units. The study collected and processed data from several moving grate conventional incinerators and high-temperature shaft gasifiers with direct melting, which are in operation worldwide. A material and substance flow analysis was then developed to systematically assess the flows and stocks of materials and elements within each waste-to-energy unit, by connecting the sources, pathways, and intermediate and final sinks of each species. The patterns of key elements, such as carbon, chloride and heavy metals, in the different solid and gaseous output streams of the two compared processes have been then defined. The combination of partitioning coefficients with the mass balances on atomic species and results of mineralogical characterization from recent literatures was used to estimate a composition of bottom ashes and slags from the two types of waste-to-energy technologies. The results also allow to quantify some of the performance parameters of the units and, in particular, the potential reduction of the amount of solid residues to be sent to final disposal

Nucleon exchange and heat partition in 74Ge + 165Ho collision at energy 8.5 MeV/A

International Nuclear Information System (INIS)

Planeta, R.

1990-01-01

This paper reports that one of the distinctive features of damped heavy-ion reactions is the rapid conversion of relative kinetic energy into heat during the lifetime of the dinuclear system formed in the collision. Of particular interest in this regard are the questions: how heat, or excitation energy, is partitioned between the reaction partners; how heat partition depends on nucleon transfer. Damped collisions at energies near or just above the barrier have been generally interpreted in terms of transport models which account for energy dissipation in terms of nucleon exchange between the projectile-like (PLF) and target-like fragments. Thus, in this context statistical nucleon exchange is the mechanism for heating of the system. Transport model calculation have met considerable success in accounting for the major features of damped collisions, for example, energy dissipation and angular distributions. Nonetheless, many important uncertainties remain

Fault Gauge Numerical Simulation : Dynamic Rupture Propagation and Local Energy Partitioning

Science.gov (United States)

Mollon, G.

2017-12-01

In this communication, we present dynamic simulations of the local (centimetric) behaviour of a fault filled with a granular gauge submitted to dynamic rupture. The numerical tool (Fig. 1) combines classical Discrete Element Modelling (albeit with the ability to deal with arbitrary grain shapes) for the simualtion of the gauge, and continuous modelling for the simulation of the acoustic waves emission and propagation. In a first part, the model is applied to the simulation of steady-state shearing of the fault under remote displacement boudary conditions, in order to observe the shear accomodation at the interface (R1 cracks, localization, wear, etc.). It also makes it possible to fit to desired values the Rate and State Friction properties of the granular gauge by adapting the contact laws between grains. Such simulations provide quantitative insight in the steady-state energy partitionning between fracture, friction and acoustic emissions as a function of the shear rate. In a second part, the model is submitted to dynamic rupture. For that purpose, the fault is elastically preloaded just below rupture, and a displacement pulse is applied at one end of the sample (and on only one side of the fault). This allows to observe the propagation of the instability along the fault and the interplay between this propagation and the local granular phenomena. Energy partitionning is then observed both in space and time.

Partitioning a macroscopic system into independent subsystems

Science.gov (United States)

Delle Site, Luigi; Ciccotti, Giovanni; Hartmann, Carsten

2017-08-01

We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several fields of theoretical and applied physics. The thermodynamic approach currently favoured by practitioners is based on a phenomenological definition of an interface energy associated with the partition, due to a lack of easily computable expressions for a microscopic (i.e. particle-based) interface energy. In this article, we outline a general approach to derive sharp and computable bounds for the interface free energy in terms of microscopic statistical quantities. We discuss potential applications in nanothermodynamics and outline possible future directions.

Study of energy partitioning using a set of related explosive formulations

Science.gov (United States)

Lieber, Mark; Foster, Joseph C.; Stewart, D. Scott

2012-03-01

Condensed phase high explosives convert potential energy stored in the electro-magnetic field structure of complex molecules to high power output during the detonation process. Historically, the explosive design problem has focused on intramolecular energy storage. The molecules of interest are derived via molecular synthesis providing near stoichiometric balance on the physical scale of the molecule. This approach provides prompt reactions based on transport physics at the molecular scale. Modern material design has evolved to approaches that employ intermolecular ingredients to alter the spatial and temporal distribution of energy release. State of the art continuum methods have been used to study this approach to the materials design. Cheetah has been used to produce data for a set of fictitious explosive formulations based on C-4 to study the partitioning of the available energy between internal and kinetic energy in the detonation. The equation of state information from Cheetah has been used in ALE3D to develop an understanding of the relationship between variations in the formulation parameters and the internal energy cycle in the products.

Partitioning of elastic energy in open-cell foams under finite deformations

International Nuclear Information System (INIS)

Harb, Rani; Taciroglu, Ertugrul; Ghoniem, Nasr

2013-01-01

The challenges associated with the computational modeling and simulation of solid foams are threefold—namely, the proper representation of an intricate geometry, the capability to accurately describe large deformations, and the extremely arduous numerical detection and enforcement of self-contact during crushing. The focus of this study is to assess and accurately quantify the effects of geometric nonlinearities (i.e. finite deformations, work produced under buckling-type motions) on the predicted mechanical response of open-cell foams of aluminum and polyurethane prior to the onset of plasticity and contact. Beam elements endowed with three-dimensional finite deformation kinematics are used to represent the foam ligaments. Ligament cross-sections are discretized through a fiber-based formulation that provides accurate information regarding the onset of plasticity, given the uniaxial yield stress–strain data for the bulk material. It is shown that the (hyper-) elastic energy partition within ligaments is significantly influenced by kinematic nonlinearities, which frequently cause strong coupling between the axial, bending, shear and torsional deformation modes. This deformation mode-coupling is uniquely obtained as a result of evaluating equilibrium in the deformed configuration, and is undetectable when small deformations are assumed. The relationship between the foam topology and energy partitioning at various stages of moderate deformation is also investigated. Coupled deformation modes are shown to play an important role, especially in perturbed Kelvin structures where over 70% of the energy is stored in coupled axial-shear and axial-bending modes. The results from this study indicate that it may not always be possible to accurately simulate the onset of plasticity (and the response beyond this regime) if finite deformation kinematics are neglected

A linear solvation energy relationship model of organic chemical partitioning to dissolved organic carbon.

Science.gov (United States)

Kipka, Undine; Di Toro, Dominic M

2011-09-01

Predicting the association of contaminants with both particulate and dissolved organic matter is critical in determining the fate and bioavailability of chemicals in environmental risk assessment. To date, the association of a contaminant to particulate organic matter is considered in many multimedia transport models, but the effect of dissolved organic matter is typically ignored due to a lack of either reliable models or experimental data. The partition coefficient to dissolved organic carbon (K(DOC)) may be used to estimate the fraction of a contaminant that is associated with dissolved organic matter. Models relating K(DOC) to the octanol-water partition coefficient (K(OW)) have not been successful for many types of dissolved organic carbon in the environment. Instead, linear solvation energy relationships are proposed to model the association of chemicals with dissolved organic matter. However, more chemically diverse K(DOC) data are needed to produce a more robust model. For humic acid dissolved organic carbon, the linear solvation energy relationship predicts log K(DOC) with a root mean square error of 0.43. Copyright © 2011 SETAC.

Dynamics of vacuum-sealed, double-leaf partitions

Science.gov (United States)

Kavanaugh, Joshua Stephen

The goal of this research is to investigate the feasibility and potential effectiveness of using vacuum-sealed, double-leaf partitions for applications in noise control. Substantial work has been done previously on double-leaf partitions where the acoustics of the inner chamber and mechanical vibrations of structural supports are passively and actively controlled. The work presented here is unique in that the proposed system aims to eliminate the need for active acoustic control of transmitted acoustic energy by removing all the air between the two panels of the double partition. Therefore, the only remaining energy paths would be along the boundary and at the points where there are intermediate structural supports connecting the two panels. The eventual goal of the research is to develop a high-loss double-leaf partition that simplifies active control by removing the need for control of the air cavity and channeling all the energy into discrete structural paths. The work presented here is a first step towards the goal of designing a high-loss, actively-controlled double-leaf partition with an air-evacuated inner chamber. One experiment is conducted to investigate the effects of various levels of vacuum on the response of a double-leaf partition whose panels are mechanically coupled only at the boundary. Another experiment is conducted which investigates the effect of changing the stiffness of an intermediate support coupling the two panels of a double-leaf partition in which a vacuum has been applied to the inner cavity. The available equipment was able to maintain a 99% vacuum between the panels. Both experiments are accompanied by analytical models used to investigate the importance of various dynamic parameters. Results show that the vacuum-sealed system shows some potential for increased transmission loss, primarily by the changing the natural frequencies of the double-leaf partition.

ELECTRON ENERGY PARTITION IN THE ABOVE-THE-LOOPTOP SOLAR HARD X-RAY SOURCES

Energy Technology Data Exchange (ETDEWEB)

Oka, Mitsuo; Krucker, Säm; Hudson, Hugh S.; Saint-Hilaire, Pascal, E-mail: moka@ssl.berkeley.edu [Space Sciences Laboratory, University of California, Berkeley, CA 94720 (United States)

2015-02-01

Solar flares produce non-thermal electrons with energies up to tens of MeVs. To understand the origin of energetic electrons, coronal hard X-ray (HXR) sources, in particular above-the-looptop sources, have been studied extensively. However, it still remains unclear how energies are partitioned between thermal and non-thermal electrons within the above-the-looptop source. Here we show that the kappa distribution, when compared to conventional spectral models, can better characterize the above-the-looptop HXRs (≳15 keV) observed in four different cases. The widely used conventional model (i.e., the combined thermal plus power-law distribution) can also fit the data, but it returns unreasonable parameter values due to a non-physical sharp lower-energy cutoff E{sub c}. In two cases, extreme-ultraviolet data were available from SDO/AIA and the kappa distribution was still consistent with the analysis of differential emission measure. Based on the kappa distribution model, we found that the 2012 July 19 flare showed the largest non-thermal fraction of electron energies about 50%, suggesting equipartition of energies. Considering the results of particle-in-cell simulations, as well as density estimates of the four cases studied, we propose a scenario in which electron acceleration is achieved primarily by collisionless magnetic reconnection, but the electron energy partition in the above-the-looptop source depends on the source density. In low-density above-the-looptop regions (few times 10{sup 9} cm{sup –3}), the enhanced non-thermal tail can remain and a prominent HXR source is created, whereas in higher-densities (>10{sup 10} cm{sup –3}), the non-thermal tail is suppressed or thermalized by Coulomb collisions.

Estimating the impact of land use change on surface energy partition based on the Noah model

Science.gov (United States)

Chen, Shaohui; Su, Hongbo; Zhan, Jinyan

2014-03-01

It is well known that land use has an important impact on surface energy partition. It is important to study the evolving trend of the partition of sensible heat flux (SHF) and latent heat flux (LHF) from the net radiance (NR) with land use change in the context of regional climate changes. In this paper, we studied the response of energy partition to land use using the Noah model. First, the Noah model simulation results of SHF and LHF between 2003 and 2005 were comprehensively validated using the observation data from the Changbai Mountain Station, the Xilinhot Station, and the Yucheng Station. The study domains represent three different types of land use change: excessive deforestation, grassland degeneration aggravation, and groundwater level decline, respectively. The study period was subsequently extended from 2015 through 2034, using four projected land use maps and forcing data from Princeton (2000-2004). The simulation results show that during the land use conversions, the annual average of LHF drops by 10.7%, rises by 10.1%, and drops by 11.5% for the Changbai Mountain, Inner Mongolia, and Northern China stations, respectively while the annual average of SHF rises by 10.6%, drops by 10.1%, and drops by 11.3% for the three areas.

Actinide and Fission Product Partitioning and Transmutation

International Nuclear Information System (INIS)

2015-06-01

The benefits of partitioning and transmutation (P and T) have now been established worldwide and, as a result, many countries are pursuing R and D programmes to advance the technologies associated with P and T. In this context, the OECD Nuclear Energy Agency (NEA) has organised a series of biennial information exchange meetings to provide experts with a forum to present and discuss state-of-the-art developments in the field of partitioning and transmutation since 1990. The OECD Nuclear Energy Agency Information Exchange Meeting on Actinides and Fission Products Partitioning and Transmutation is a forum for experts to present and discuss the state-of-the-art development in the field of P and T. Thirteen meetings have been organised so far and held in Japan, the United States, France, Belgium, Spain, the Republic of Korea and the Czech Republic. This 13. meeting was hosted by Seoul National University (Seoul, Republic of Korea) and was organised in co-operation with the International Atomic Energy Agency (IAEA) and the European Community (EC). The meeting covered strategic and scientific developments in the field of P and T such as: fuel cycle strategies and transition scenarios, the role of P and T in the potential evolution of nuclear energy as part of the future energy mix; radioactive waste management strategies; transmutation fuels and targets; advances in pyro and aqueous separation processes; P and T specific technology requirements (materials, spallation targets, coolants, etc.); transmutation systems: design, performance and safety; impact of P and T on the fuel cycle; fabrication, handling and transportation of transmutation fuels. A total of 103 presentations (39 oral and 64 posters) were discussed among the 110 participants from 19 countries and 2 international organisations. The meeting consisted of one plenary session where national and international programmes were presented followed by 5 technical sessions: - Fuel Cycle Strategies and Transition

Energy partition between the core and the penumbra of Au, La, Fe and Na-ion tracks in liquid argon over the energy interval 1-1000 MeV/amu

International Nuclear Information System (INIS)

Mozumder, A.; Takashima, T.

1995-01-01

Recently an allene-doped liquid argon (LAr) calorimeter has been constructed for measuring energies of relativistic heavy ions. The results obtained were compared with simulations that include quenching and certain other factors. This note presents a calculation which is used as a part of a model for the response of a liquid argon calorimeter to accelerated heavy ions. Scintillator response, particularly those made of organic compounds, can be nonlinear due to regions of high ionization density. It is therefore important to know the partition of deposited energy between the core and the penumbra. Here we calculate this partition for Au, La, Fe and Na-ions in LAr over the energy interval 1-1000 MeV/amu. (orig.)

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

International Nuclear Information System (INIS)

You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas

2015-01-01

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

Energy Technology Data Exchange (ETDEWEB)

You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States); Mewes, Jan-Michael; Dreuw, Andreas [Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)

2015-11-28

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

Study of energy conversion and partitioning in the magnetic reconnection layer of a laboratory plasma

Energy Technology Data Exchange (ETDEWEB)

Yamada, Masaaki; Yoo, Jongsoo; Jara-Almonte, Jonathan; Ji, Hantao; Kulsrud, Russell M.; Myers, Clayton E. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States); Daughton, William [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

2015-05-15

While the most important feature of magnetic reconnection is that it energizes plasma particles by converting magnetic energy to particle energy, the exact mechanisms by which this happens are yet to be determined despite a long history of reconnection research. Recently, we have reported our results on the energy conversion and partitioning in a laboratory reconnection layer in a short communication [Yamada et al., Nat. Commun. 5, 4474 (2014)]. The present paper is a detailed elaboration of this report together with an additional dataset with different boundary sizes. Our experimental study of the reconnection layer is carried out in the two-fluid physics regime where ions and electrons move quite differently. We have observed that the conversion of magnetic energy occurs across a region significantly larger than the narrow electron diffusion region. A saddle shaped electrostatic potential profile exists in the reconnection plane, and ions are accelerated by the resulting electric field at the separatrices. These accelerated ions are then thermalized by re-magnetization in the downstream region. A quantitative inventory of the converted energy is presented in a reconnection layer with a well-defined, variable boundary. We have also carried out a systematic study of the effects of boundary conditions on the energy inventory. This study concludes that about 50% of the inflowing magnetic energy is converted to particle energy, 2/3 of which is ultimately transferred to ions and 1/3 to electrons. Assisted by another set of magnetic reconnection experiment data and numerical simulations with different sizes of monitoring box, it is also observed that the observed features of energy conversion and partitioning do not depend on the size of monitoring boundary across the range of sizes tested from 1.5 to 4 ion skin depths.

Constraining Aggregate-Scale Solar Energy Partitioning in Arctic Sea Ice Through Synthesis of Remote Sensing and Autonomous In-Situ Observations.

Science.gov (United States)

Wright, N.; Polashenski, C. M.; Deeb, E. J.; Morriss, B. F.; Song, A.; Chen, J.

2015-12-01

One of the key processes controlling sea ice mass balance in the Arctic is the partitioning of solar energy between reflection back to the atmosphere and absorption into the ice and upper ocean. We investigate the solar energy balance in the ice-ocean system using in-situ data collected from Arctic Observing Network (AON) sea ice sites and imagery from high resolution optical satellites. AON assets, including ice mass balance buoys and ice tethered profilers, monitor the storage and fluxes of heat in the ice-ocean system. High resolution satellite imagery, processed using object-based image classification techniques, allows us to quantify the evolution of surrounding ice conditions, including melt pond coverage and floe size distribution, at aggregate scale. We present results from regionally representative sites that constrain the partitioning of absorbed solar energy between ice melt and ocean storage, and quantify the strength of the ice-albedo feedback. We further demonstrate how the results can be used to validate model representations of the physical processes controlling ice-albedo feedbacks. The techniques can be extended to understand solar partitioning across the Arctic basin using additional sites and model based data integration.

The total energy policy in Flanders

International Nuclear Information System (INIS)

Bouma, J.W.J.

1994-01-01

The policy of the Flemish region (Belgium) with regard to the total energy principle are presented. An overview of the main policy instruments to support energy saving and environmental-friendly investments as well as the development of new technologies is given. The total energy policy of the Flanders Region forms part of the general Flemish (energy) policy. (A.S.)

Total-factor energy efficiency in developing countries

International Nuclear Information System (INIS)

Zhang Xingping; Cheng Xiaomei; Yuan Jiahai; Gao Xiaojun

2011-01-01

This paper uses a total-factor framework to investigate energy efficiency in 23 developing countries during the period of 1980-2005. We explore the total-factor energy efficiency and change trends by applying data envelopment analysis (DEA) window, which is capable of measuring efficiency in cross-sectional and time-varying data. The empirical results indicate that Botswana, Mexico and Panama perform the best in terms of energy efficiency, whereas Kenya, Sri Lanka, Syria and the Philippines perform the worst during the entire research period. Seven countries show little change in energy efficiency over time. Eleven countries experienced continuous decreases in energy efficiency. Among five countries witnessing continuous increase in total-factor energy efficiency, China experienced the most rapid rise. Practice in China indicates that effective energy policies play a crucial role in improving energy efficiency. Tobit regression analysis indicates that a U-shaped relationship exists between total-factor energy efficiency and income per capita. - Research Highlights: → To measure the total-factor energy efficiency using DEA window analysis. → Focus on an application area of developing countries in the period of 1980-2005. → A U-shaped relationship was found between total-factor energy efficiency and income.

Total energy calculations from self-energy models

International Nuclear Information System (INIS)

Sanchez-Friera, P.

2001-06-01

Density-functional theory is a powerful method to calculate total energies of large systems of interacting electrons. The usefulness of this method, however, is limited by the fact that an approximation is required for the exchange-correlation energy. Currently used approximations (LDA and GGA) are not sufficiently accurate in many physical problems, as for instance the study of chemical reactions. It has been shown that exchange-correlation effects can be accurately described via the self-energy operator in the context of many-body perturbation theory. This is, however, a computationally very demanding approach. In this thesis a new scheme for calculating total energies is proposed, which combines elements from many-body perturbation theory and density-functional theory. The exchange-correlation energy functional is built from a simplified model of the self-energy, that nevertheless retains the main features of the exact operator. The model is built in such way that the computational effort is not significantly increased with respect to that required in a typical density-functional theory calculation. (author)

Analysing surface energy balance closure and partitioning over a semi-arid savanna FLUXNET site in Skukuza, Kruger National Park, South Africa

CSIR Research Space (South Africa)

Majozi, Nobuhle P

2017-07-01

Full Text Available available energy (net radiation (Rn) less soil heat (G)), and the energy balance ratio (EBR). Partitioning of the surface energy during the wet and dry seasons was also investigated, as well as how it is affected by atmospheric vapour pressure deficit (VPD...

Total energy system in the future

International Nuclear Information System (INIS)

Hijikata, K.

1994-01-01

The possibility of improving the thermal efficiency of energy systems from an exergy point of view is discussed. In total energy systems, we should employ multi-pass recycling consisting of thermal and chemical energies. The recycling system is supported by electrical energy, which is provided by a renewable energy source or by excess commercial electric power. This total energy system should be considered not only in one country, but all around the globe. (author). 6 figs., 4 tabs., 8 refs

Divergent evapotranspiration partition dynamics between shrubs and grasses in a shrub-encroached steppe ecosystem.

Science.gov (United States)

Wang, Pei; Li, Xiao-Yan; Wang, Lixin; Wu, Xiuchen; Hu, Xia; Fan, Ying; Tong, Yaqin

2018-06-04

Previous evapotranspiration (ET) partitioning studies have usually neglected competitions and interactions between antagonistic plant functional types. This study investigated whether shrubs and grasses have divergent ET partition dynamics impacted by different water-use patterns, canopy structures, and physiological properties in a shrub-encroached steppe ecosystem in Inner Mongolia, China. The soil water-use patterns of shrubs and grasses have been quantified by an isotopic tracing approach and coupled into an improved multisource energy balance model to partition ET fluxes into soil evaporation, grass transpiration, and shrub transpiration. The mean fractional contributions to total ET were 24 ± 13%, 20 ± 4%, and 56 ± 16% for shrub transpiration, grass transpiration, and soil evaporation respectively during the growing season. Difference in ecohydrological connectivity and leaf development both contributed to divergent transpiration partitioning between shrubs and grasses. Shrub-encroachment processes result in larger changes in the ET components than in total ET flux, which could be well explained by changes in canopy resistance, an ecosystem function dominated by the interaction of soil water-use patterns and ecosystem structure. The analyses presented here highlight the crucial effects of vegetation structural changes on the processes of land-atmosphere interaction and climate feedback. © 2018 The Authors. New Phytologist © 2018 New Phytologist Trust.

Data Partitioning Technique for Improved Video Prioritization

Directory of Open Access Journals (Sweden)

Ismail Amin Ali

2017-07-01

Full Text Available A compressed video bitstream can be partitioned according to the coding priority of the data, allowing prioritized wireless communication or selective dropping in a congested channel. Known as data partitioning in the H.264/Advanced Video Coding (AVC codec, this paper introduces a further sub-partition of one of the H.264/AVC codec’s three data-partitions. Results show a 5 dB improvement in Peak Signal-to-Noise Ratio (PSNR through this innovation. In particular, the data partition containing intra-coded residuals is sub-divided into data from: those macroblocks (MBs naturally intra-coded, and those MBs forcibly inserted for non-periodic intra-refresh. Interactive user-to-user video streaming can benefit, as then HTTP adaptive streaming is inappropriate and the High Efficiency Video Coding (HEVC codec is too energy demanding.

Near-term Forecasting of Solar Total and Direct Irradiance for Solar Energy Applications

Science.gov (United States)

Long, C. N.; Riihimaki, L. D.; Berg, L. K.

2012-12-01

Integration of solar renewable energy into the power grid, like wind energy, is hindered by the variable nature of the solar resource. One challenge of the integration problem for shorter time periods is the phenomenon of "ramping events" where the electrical output of the solar power system increases or decreases significantly and rapidly over periods of minutes or less. Advance warning, of even just a few minutes, allows power system operators to compensate for the ramping. However, the ability for short-term prediction on such local "point" scales is beyond the abilities of typical model-based weather forecasting. Use of surface-based solar radiation measurements has been recognized as a likely solution for providing input for near-term (5 to 30 minute) forecasts of solar energy availability and variability. However, it must be noted that while fixed-orientation photovoltaic panel systems use the total (global) downwelling solar radiation, tracking photovoltaic and solar concentrator systems use only the direct normal component of the solar radiation. Thus even accurate near-term forecasts of total solar radiation will under many circumstances include inherent inaccuracies with respect to tracking systems due to lack of information of the direct component of the solar radiation. We will present examples and statistical analyses of solar radiation partitioning showing the differences in the behavior of the total/direct radiation with respect to the near-term forecast issue. We will present an overview of the possibility of using a network of unique new commercially available total/diffuse radiometers in conjunction with a near-real-time adaptation of the Shortwave Radiative Flux Analysis methodology (Long and Ackerman, 2000; Long et al., 2006). The results are used, in conjunction with persistence and tendency forecast techniques, to provide more accurate near-term forecasts of cloudiness, and both total and direct normal solar irradiance availability and

Fission Fragment Mass Distributions and Total Kinetic Energy Release of 235-Uranium and 238-Uranium in Neutron-Induced Fission at Intermediate and Fast Neutron Energies

Energy Technology Data Exchange (ETDEWEB)

Duke, Dana Lynn [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-11-12

This Ph.D. dissertation describes a measurement of the change in mass distributions and average total kinetic energy (TKE) release with increasing incident neutron energy for fission of ²³⁵U and ²³⁸U. Although fission was discovered over seventy-five years ago, open questions remain about the physics of the fission process. The energy of the incident neutron, En, changes the division of energy release in the resulting fission fragments, however, the details of energy partitioning remain ambiguous because the nucleus is a many-body quantum system. Creating a full theoretical model is difficult and experimental data to validate existing models are lacking. Additional fission measurements will lead to higher-quality models of the fission process, therefore improving applications such as the development of next-generation nuclear reactors and defense. This work also paves the way for precision experiments such as the Time Projection Chamber (TPC) for fission cross section measurements and the Spectrometer for Ion Determination in Fission (SPIDER) for precision mass yields.

Geometric measure of quantum discord and total quantum correlations in an N-partite quantum state

International Nuclear Information System (INIS)

Hassan, Ali Saif M; Joag, Pramod S

2012-01-01

Quantum discord, as introduced by Ollivier and Zurek (2001 Phys. Rev. Lett. 88 017901), is a measure of the discrepancy between quantum versions of two classically equivalent expressions for mutual information and is found to be useful in quantification and application of quantum correlations in mixed states. It is viewed as a key resource present in certain quantum communication tasks and quantum computational models without containing much entanglement. An early step toward the quantification of quantum discord in a quantum state was by Dakic et al (2010 Phys. Rev. Lett. 105 190502) who introduced a geometric measure of quantum discord and derived an explicit formula for any two-qubit state. Recently, Luo and Fu (2010 Phys. Rev. A 82 034302) introduced a generic form of the geometric measure of quantum discord for a bipartite quantum state. We extend these results and find generic forms of the geometric measure of quantum discord and total quantum correlations in a general N-partite quantum state. Further, we obtain computable exact formulas for the geometric measure of quantum discord and total quantum correlations in an N-qubit quantum state. The exact formulas for the N-qubit quantum state can be used to get experimental estimates of the quantum discord and the total quantum correlation. (paper)

Light energy partitioning, photosynthetic efficiency and biomass allocation in invasive Prunus serotina and native Quercus petraea in relation to light environment, competition and allelopathy.

Science.gov (United States)

Robakowski, Piotr; Bielinis, Ernest; Sendall, Kerrie

2018-05-01

This study addressed whether competition under different light environments was reflected by changes in leaf absorbed light energy partitioning, photosynthetic efficiency, relative growth rate and biomass allocation in invasive and native competitors. Additionally, a potential allelopathic effect of mulching with invasive Prunus serotina leaves on native Quercus petraea growth and photosynthesis was tested. The effect of light environment on leaf absorbed light energy partitioning and photosynthetic characteristics was more pronounced than the effects of interspecific competition and allelopathy. The quantum yield of PSII of invasive P. serotina increased in the presence of a competitor, indicating a higher plasticity in energy partitioning for the invasive over the native Q. petraea, giving it a competitive advantage. The most striking difference between the two study species was the higher crown-level net CO 2 assimilation rates (A crown ) of P. serotina compared with Q. petraea. At the juvenile life stage, higher relative growth rate and higher biomass allocation to foliage allowed P. serotina to absorb and use light energy for photosynthesis more efficiently than Q. petraea. Species-specific strategies of growth, biomass allocation, light energy partitioning and photosynthetic efficiency varied with the light environment and gave an advantage to the invader over its native competitor in competition for light. However, higher biomass allocation to roots in Q. petraea allows for greater belowground competition for water and nutrients as compared to P. serotina. This niche differentiation may compensate for the lower aboveground competitiveness of the native species and explain its ability to co-occur with the invasive competitor in natural forest settings.

Energy partitioning at treeline forest and tundra sites and its sensitivity to climate change

Energy Technology Data Exchange (ETDEWEB)

Lafleur, P.M. [Trent Univ., Peterborough, ON (Canada); Rouse, W.R. [McMaster Univ., Hamilton, ON (Canada)

1995-12-31

A study was conducted to examine the inter-annual variability in energy fluxes of treeline tundra and forest and to investigate the sensitivity of forest and tundra energy balances to climatic changes. A five year record of energy balance data from contiguous wetland tundra and subarctic forest sites near Churchill, Manitoba was analyzed. The data included snow free periods only. Wind direction was used as an analogue for changing climatic conditions where onshore winds are cooler and moister than offshore winds. Sensible and latent heat fluxes at both sites varied significantly between onshore and offshore wind regimes. The differences between onshore and offshore fluxes at the tundra site were larger than for the forest. The tundra-to-forest Bowen ratios decreased with increasing vapour pressure deficit and increasing air temperature. Results suggest that energy partitioning in the wetland tundra is more sensitive to climate change than in the treeline forests. 22 refs., 1 tab., 6 figs.

Partition thermodynamics of ionic surfactants between phosphatidylcholine vesicle and water phases

Science.gov (United States)

Chu, Shin-Chi; Hung, Chia-Hui; Wang, Shun-Cheng; Tsao, Heng-Kwong

2003-08-01

The partition of ionic surfactants (sodium alkyl sulfate and alkyl trimethyl ammonium bromide) between phosphatidylcholine vesicles and aqueous phase is investigated by simple conductometry under different temperatures. The experimental results can be well represented by the proposed regular solution theory and the thermodynamic parameters satisfy the thermodynamic consistency. The deviation from ideal partition is manifested through the effective interaction energy between lipid and surfactant wb, which is O(kT) large. It is found that wb rises as the alkyl chain is decreased for a specified head group. This is attributed to significant mismatch of chain lengths between surfactant and lipid molecules. The partition coefficient K declines with increasing temperature. The energy barrier from bilayer to aqueous phase, Δμ/kT∝ln K, is in the range of 16-26 kJ/mol. As the alkyl chain length is decreased for a given head group, Δμ is lowered by 1.3-1.5 kJ/mol per methylene group. Two independent analyses are employed to confirm this result. Using the thermodynamic parameters determined from experiments, the internal energy, entropy, and free energy of the partition process can be derived. Partition is essentially driven by the internal energy gain. The solubilizing ability, which is represented by the maximum surfactant-lipid ratio in the bilayer, Reb also decreases in accord with the K parameter. It is because the change in temperature influences the surfactant incorporation into the bilayer more than the formation of micelles.

Ion heating and energy partition at the heliospheric termination shock: hybrid simulations and analytical model

Energy Technology Data Exchange (ETDEWEB)

Gary, S Peter [Los Alamos National Laboratory; Winske, Dan [Los Alamos National Laboratory; Wu, Pin [BOSTON UNIV.; Schwadron, N A [BOSTON UNIV.; Lee, M [UNIV OF NEW HAMPSHIRE

2009-01-01

The Los Alamos hybrid simulation code is used to examine heating and the partition of dissipation energy at the perpendicular heliospheric termination shock in the presence of pickup ions. The simulations are one-dimensional in space but three-dimensional in field and velocity components, and are carried out for a range of values of pickup ion relative density. Results from the simulations show that because the solar wind ions are relatively cold upstream, the temperature of these ions is raised by a relatively larger factor than the temperature of the pickup ions. An analytic model for energy partition is developed on the basis of the Rankine-Hugoniot relations and a polytropic energy equation. The polytropic index {gamma} used in the Rankine-Hugoniot relations is varied to improve agreement between the model and the simulations concerning the fraction of downstream heating in the pickup ions as well as the compression ratio at the shock. When the pickup ion density is less than 20%, the polytropic index is about 5/3, whereas for pickup ion densities greater than 20%, the polytropic index tends toward 2.2, suggesting a fundamental change in the character of the shock, as seen in the simulations, when the pickup ion density is large. The model and the simulations both indicate for the upstream parameters chosen for Voyager 2 conditions that the pickup ion density is about 25% and the pickup ions gain the larger share (approximately 90%) of the downstream thermal pressure, consistent with Voyager 2 observations near the shock.

Partition functions. I. Improved partition functions and thermodynamic quantities for normal, equilibrium, and ortho and para molecular hydrogen

Science.gov (United States)

Popovas, A.; Jørgensen, U. G.

2016-11-01

Context. Hydrogen is the most abundant molecule in the Universe. Its thermodynamic quantities dominate the physical conditions in molecular clouds, protoplanetary disks, etc. It is also of high interest in plasma physics. Therefore thermodynamic data for molecular hydrogen have to be as accurate as possible in a wide temperature range. Aims: We here rigorously show the shortcomings of various simplifications that are used to calculate the total internal partition function. These shortcomings can lead to errors of up to 40 percent or more in the estimated partition function. These errors carry on to calculations of thermodynamic quantities. Therefore a more complicated approach has to be taken. Methods: Seven possible simplifications of various complexity are described, together with advantages and disadvantages of direct summation of experimental values. These were compared to what we consider the most accurate and most complete treatment (case 8). Dunham coefficients were determined from experimental and theoretical energy levels of a number of electronically excited states of H2. Both equilibrium and normal hydrogen was taken into consideration. Results: Various shortcomings in existing calculations are demonstrated, and the reasons for them are explained. New partition functions for equilibrium, normal, and ortho and para hydrogen are calculated and thermodynamic quantities are reported for the temperature range 1-20 000 K. Our results are compared to previous estimates in the literature. The calculations are not limited to the ground electronic state, but include all bound and quasi-bound levels of excited electronic states. Dunham coefficients of these states of H2 are also reported. Conclusions: For most of the relevant astrophysical cases it is strongly advised to avoid using simplifications, such as a harmonic oscillator and rigid rotor or ad hoc summation limits of the eigenstates to estimate accurate partition functions and to be particularly careful when

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.

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.

Total-factor energy efficiency of regions in China

International Nuclear Information System (INIS)

Hu, J.-L.; Wang, S.-C.

2006-01-01

This paper analyzes energy efficiencies of 29 administrative regions in China for the period 1995-2002 with a newly introduced index. Most existing studies of regional productivity and efficiency neglect energy inputs. We use the data envelopment analysis (DEA) to find the target energy input of each region in China at each particular year. The index of total-factor energy efficiency (TFEE) then divides the target energy input by the actual energy input. In our DEA model, labor, capital stock, energy consumption, and total sown area of farm crops used as a proxy of biomass energy are the four inputs and real GDP is the single output. The conventional energy productivity ratio regarded as a partial-factor energy efficiency index is computed for comparison in contrast to TFEE; our index is found fitting better to the real case. According to the TFEE index rankings, the central area of China has the worst energy efficiency and its total adjustmentof energy consumption amount is over half of China's total. Regional TFEE in China generally improved during the research period except for the western area. A U-shape relation between the area's TFEE and per capita income in the areas of China is found, confirming the scenario that energy efficiency eventually improves with economic growth

Unique Path Partitions

DEFF Research Database (Denmark)

Bessenrodt, Christine; Olsson, Jørn Børling; Sellers, James A.

2013-01-01

We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions.......We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions....

Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation

Directory of Open Access Journals (Sweden)

Koji Ogata

2018-02-01

Full Text Available The octanol–water partition coefficient (logPow is an important index for measuring solubility, membrane permeability, and bioavailability in the drug discovery field. In this paper, the logPow values of 58 compounds were predicted by alchemical free energy calculation using molecular dynamics simulation. In free energy calculations, the atomic charges of the compounds are always fixed. However, they must be recalculated for each solvent. Therefore, three different sets of atomic charges were tested using quantum chemical calculations, taking into account vacuum, octanol, and water environments. The calculated atomic charges in the different environments do not necessarily influence the correlation between calculated and experimentally measured ∆Gwater values. The largest correlation coefficient values of the solvation free energy in water and octanol were 0.93 and 0.90, respectively. On the other hand, the correlation coefficient of logPow values calculated from free energies, the largest of which was 0.92, was sensitive to the combination of the solvation free energies calculated from the calculated atomic charges. These results reveal that the solvent assumed in the atomic charge calculation is an important factor determining the accuracy of predicted logPow values.

Development of a test system for high level liquid waste partitioning

Directory of Open Access Journals (Sweden)

Duan Wu H.

2015-01-01

Full Text Available The partitioning and transmutation strategy has increasingly attracted interest for the safe treatment and disposal of high level liquid waste, in which the partitioning of high level liquid waste is one of the critical technical issues. An improved total partitioning process, including a tri-alkylphosphine oxide process for the removal of actinides, a crown ether strontium extraction process for the removal of strontium, and a calixcrown ether cesium extraction process for the removal of cesium, has been developed to treat Chinese high level liquid waste. A test system containing 72-stage 10-mm-diam annular centrifugal contactors, a remote sampling system, a rotor speed acquisition-monitoring system, a feeding system, and a video camera-surveillance system was successfully developed to carry out the hot test for verifying the improved total partitioning process. The test system has been successfully used in a 160 hour hot test using genuine high level liquid waste. During the hot test, the test system was stable, which demonstrated it was reliable for the hot test of the high level liquid waste partitioning.

Development of a test system for high level liquid waste partitioning

OpenAIRE

Duan Wu H.; Chen Jing; Wang Jian C.; Wang Shu W.; Wang Xing H.

2015-01-01

The partitioning and transmutation strategy has increasingly attracted interest for the safe treatment and disposal of high level liquid waste, in which the partitioning of high level liquid waste is one of the critical technical issues. An improved total partitioning process, including a tri-alkylphosphine oxide process for the removal of actinides, a crown ether strontium extraction process for the removal of strontium, and a calixcrown ether cesium extra...

System study on partitioning and transmutation of long-lived isotopes

International Nuclear Information System (INIS)

Szieberth, M.

2001-01-01

The management of long-lived isotopes - transuranium elements and fission products - produced in nuclear reactors is a problem that substantially affects the public acceptance of nuclear energy, and may influence the long-term hazard caused by energy production. Partitioning and transmutation of spent fuel materials offer a suitable solution to this problem. After the nuclear community had realised this fact, the number of publications on this topic significantly increased but there is still a lack of studies that include the analysis of not only one instrument but also the whole nuclear energy system. However, from the viewpoint of Partitioning and transmutation's implementation a substantial question is the cooperation of plants optimised for energy generation and others for partitioning or transmutation. In order to analyse this problem, the schemes of different systems are framed and their mathematical models are worked out. The systems are evaluated through the long-term risks caused by the waste deposited in final disposal, and the risks are described by a newly defined quantity, the residual hazard index. (author)

Simulation of a pulsatile total artificial heart: Development of a partitioned Fluid Structure Interaction model

Science.gov (United States)

Sonntag, Simon J.; Kaufmann, Tim A. S.; Büsen, Martin R.; Laumen, Marco; Linde, Torsten; Schmitz-Rode, Thomas; Steinseifer, Ulrich

2013-04-01

Heart disease is one of the leading causes of death in the world. Due to a shortage in donor organs artificial hearts can be a bridge to transplantation or even serve as a destination therapy for patients with terminal heart insufficiency. A pusher plate driven pulsatile membrane pump, the Total Artificial Heart (TAH) ReinHeart, is currently under development at the Institute of Applied Medical Engineering of RWTH Aachen University.This paper presents the methodology of a fully coupled three-dimensional time-dependent Fluid Structure Interaction (FSI) simulation of the TAH using a commercial partitioned block-Gauss-Seidel coupling package. Partitioned coupling of the incompressible fluid with the slender flexible membrane as well as a high fluid/structure density ratio of about unity led inherently to a deterioration of the stability (‘artificial added mass instability’). The objective was to conduct a stable simulation with high accuracy of the pumping process. In order to achieve stability, a combined resistance and pressure outlet boundary condition as well as the interface artificial compressibility method was applied. An analysis of the contact algorithm and turbulence condition is presented. Independence tests are performed for the structural and the fluid mesh, the time step size and the number of pulse cycles. Because of the large deformation of the fluid domain, a variable mesh stiffness depending on certain mesh properties was specified for the fluid elements. Adaptive remeshing was avoided. Different approaches for the mesh stiffness function are compared with respect to convergence, preservation of mesh topology and mesh quality. The resulting mesh aspect ratios, mesh expansion factors and mesh orthogonalities are evaluated in detail. The membrane motion and flow distribution of the coupled simulations are compared with a top-view recording and stereo Particle Image Velocimetry (PIV) measurements, respectively, of the actual pump.

Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

Directory of Open Access Journals (Sweden)

Akira Takada

2018-03-01

Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

Analysing surface energy balance closure and partitioning over a semi-arid savanna FLUXNET site in Skukuza, Kruger National Park, South Africa

Science.gov (United States)

Majozi, Nobuhle P.; Mannaerts, Chris M.; Ramoelo, Abel; Mathieu, Renaud; Nickless, Alecia; Verhoef, Wouter

2017-07-01

Flux towers provide essential terrestrial climate, water, and radiation budget information needed for environmental monitoring and evaluation of climate change impacts on ecosystems and society in general. They are also intended for calibration and validation of satellite-based Earth observation and monitoring efforts, such as assessment of evapotranspiration from land and vegetation surfaces using surface energy balance approaches. In this paper, 15 years of Skukuza eddy covariance data, i.e. from 2000 to 2014, were analysed for surface energy balance closure (EBC) and partitioning. The surface energy balance closure was evaluated using the ordinary least squares regression (OLS) of turbulent energy fluxes (sensible (H) and latent heat (LE)) against available energy (net radiation (Rn) less soil heat (G)), and the energy balance ratio (EBR). Partitioning of the surface energy during the wet and dry seasons was also investigated, as well as how it is affected by atmospheric vapour pressure deficit (VPD), and net radiation. After filtering years with low-quality data (2004-2008), our results show an overall mean EBR of 0.93. Seasonal variations of EBR also showed the wet season with 1.17 and spring (1.02) being closest to unity, with the dry season (0.70) having the highest imbalance. Nocturnal surface energy closure was very low at 0.26, and this was linked to low friction velocity during night-time, with results showing an increase in closure with increase in friction velocity. The energy partition analysis showed that sensible heat flux is the dominant portion of net radiation, especially between March and October, followed by latent heat flux, and lastly the soil heat flux, and during the wet season where latent heat flux dominated sensible heat flux. An increase in net radiation was characterized by an increase in both LE and H, with LE showing a higher rate of increase than H in the wet season, and the reverse happening during the dry season. An increase in

Excitation energy partition in deeply inelastic collisions between 40Ar and Ag at 27 MeV per nucleon

International Nuclear Information System (INIS)

Borderie, B.; Rivet, M.F.; Cabot, C.; Fuchs, H.; Gardes, D.; Hanappe, F.; Jouan, D.; Montoya, M.

1991-01-01

The dynamics of the two partners produced in dissipative collisions has been experimentally studied for the system 40 Ar+Ag at 27 MeV per nucleon. Primary masses of the fragments can then be calculated; the excitation energy partition between the two fragments is derived from the number of particles evaporated by each fragment. We found that this division evolves from equipartition to a repartition close to thermal equilibrium in the excitation energy range 300-350 MeV or interaction times 5-10x10 -22 s. (orig.)

Partitioning of organochlorine pesticides from water to polyethylene passive samplers

International Nuclear Information System (INIS)

Hale, Sarah E.; Martin, Timothy J.; Goss, Kai-Uwe; Arp, Hans Peter H.; Werner, David

2010-01-01

The mass transfer rates and equilibrium partitioning behaviour of 14 diverse organochlorine pesticides (OCP) between water and polyethylene (PE) passive samplers, cut from custom made PE sheets and commercial polyethylene plastic bags, were quantified. Overall mass transfer coefficients, k O , estimated PE membrane diffusion coefficients, D PE , and PE-water partitioning coefficients, K PE-water, are reported. In addition, the partitioning of three polycyclic aromatic hydrocarbons (PAHs) from water to PE is quantified and compared with literature values. K PE-water values agreed mostly within a factor of two for both passive samplers and also with literature values for the reference PAHs. As PE is expected to exhibit similar sorption behaviour to long-chain alkanes, PE-water partitioning coefficients were compared to hexadecane-water partitioning coefficients estimated with the SPARC online calculator, COSMOtherm and a polyparameter linear free energy relationship based on the Abraham approach. The best correlation for all compounds tested was with COSMOtherm estimated hexadecane-water partitioning coefficients. - The partitioning of organochlorine pesticides between single phase polyethylene passive samplers and water is quantified.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.

Science.gov (United States)

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J A; Setser, Donald W; Hase, William L

2017-10-14

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH 3 CN → HF + CH 2 CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH 2 CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH 2 CN and then trapping in the CH 2 CN⋯HF post-reaction potential energy well of ∼10 kcal/mol with respect to the HF + CH 2 CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH 2 CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH 2 CN rotation, and CH 2 CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH 3 CN �

Bayesian simultaneous equation models for the analysis of energy intake and partitioning in growing pigs

DEFF Research Database (Denmark)

Strathe, Anders Bjerring; Jørgensen, Henry; Kebreab, E

2012-01-01

ABSTRACT SUMMARY The objective of the current study was to develop Bayesian simultaneous equation models for modelling energy intake and partitioning in growing pigs. A key feature of the Bayesian approach is that parameters are assigned prior distributions, which may reflect the current state...... of nature. In the models, rates of metabolizable energy (ME) intake, protein deposition (PD) and lipid deposition (LD) were treated as dependent variables accounting for residuals being correlated. Two complementary equation systems were used to model ME intake (MEI), PD and LD. Informative priors were...... developed, reflecting current knowledge about metabolic scaling and partial efficiencies of PD and LD rates, whereas flat non-informative priors were used for the reminder of the parameters. The experimental data analysed originate from a balance and respiration trial with 17 cross-bred pigs of three...

Development of polyparameter linear free energy relationship models for octanol-air partition coefficients of diverse chemicals.

Science.gov (United States)

Jin, Xiaochen; Fu, Zhiqiang; Li, Xuehua; Chen, Jingwen

2017-03-22

The octanol-air partition coefficient (K OA ) is a key parameter describing the partition behavior of organic chemicals between air and environmental organic phases. As the experimental determination of K OA is costly, time-consuming and sometimes limited by the availability of authentic chemical standards for the compounds to be determined, it becomes necessary to develop credible predictive models for K OA . In this study, a polyparameter linear free energy relationship (pp-LFER) model for predicting K OA at 298.15 K and a novel model incorporating pp-LFERs with temperature (pp-LFER-T model) were developed from 795 log K OA values for 367 chemicals at different temperatures (263.15-323.15 K), and were evaluated with the OECD guidelines on QSAR model validation and applicability domain description. Statistical results show that both models are well-fitted, robust and have good predictive capabilities. Particularly, the pp-LFER model shows a strong predictive ability for polyfluoroalkyl substances and organosilicon compounds, and the pp-LFER-T model maintains a high predictive accuracy within a wide temperature range (263.15-323.15 K).

Dynamic isotope effect on the product energy partitioning in CH2OH+→CHO++H2

Science.gov (United States)

Rhee, Young Min; Kim, Myung Soo

1998-10-01

The deuterium isotope effect on the product energy partitioning in the title reaction was investigated both experimentally and theoretically. The measured kinetic energy release (KER) showed a significant dependence on the position of deuteration. A reliable potential energy surface of the reaction was constructed from ab initio results using the recently developed interpolation algorithm. The classical trajectory calculation on this surface well reproduced the experimental finding. Close inspection of the potential energy surface revealed that the isotope effect on KER and the product rotations arose from the alteration of the symmetry of the reaction path near the transition state induced by the mass change upon isotopic substitution. The product vibrations were found to be affected by the change in the coupling constants which also arose from the mass-dependent change in the reaction path. Possibility of the quantum mechanical tunneling was also considered. Tunneling-corrected classical trajectory results were in excellent agreement with the experimental ones, indicating that the reaction proceeds via barrier penetration below the threshold.

Quantum Mechanical Single Molecule Partition Function from PathIntegral Monte Carlo Simulations

Energy Technology Data Exchange (ETDEWEB)

Chempath, Shaji; Bell, Alexis T.; Predescu, Cristian

2006-10-01

An algorithm for calculating the partition function of a molecule with the path integral Monte Carlo method is presented. Staged thermodynamic perturbation with respect to a reference harmonic potential is utilized to evaluate the ratio of partition functions. Parallel tempering and a new Monte Carlo estimator for the ratio of partition functions are implemented here to achieve well converged simulations that give an accuracy of 0.04 kcal/mol in the reported free energies. The method is applied to various test systems, including a catalytic system composed of 18 atoms. Absolute free energies calculated by this method lead to corrections as large as 2.6 kcal/mol at 300 K for some of the examples presented.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment

Science.gov (United States)

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J. A.; Setser, Donald W.; Hase, William L.

2017-10-01

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN⋯HF post-reaction potential energy well of ˜10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH2CN rotation, and CH2CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH3CN → HF + CH2CN

Determination of descriptors for polycyclic aromatic hydrocarbons and related compounds by chromatographic methods and liquid-liquid partition in totally organic biphasic systems.

Science.gov (United States)

Ariyasena, Thiloka C; Poole, Colin F

2014-09-26

Retention factors on several columns and at various temperatures using gas chromatography and from reversed-phase liquid chromatography on a SunFire C18 column with various mobile phase compositions containing acetonitrile, methanol and tetrahydrofuran as strength adjusting solvents are combined with liquid-liquid partition coefficients in totally organic biphasic systems to calculate descriptors for 23 polycyclic aromatic hydrocarbons and eighteen related compounds of environmental interest. The use of a consistent protocol for the above measurements provides descriptors that are more self consistent for the estimation of physicochemical properties (octanol-water, air-octanol, air-water, aqueous solubility, and subcooled liquid vapor pressure). The descriptor in this report tend to have smaller values for the L and E descriptors and random differences in the B and S descriptors compared with literature sources. A simple atom fragment constant model is proposed for the estimation of descriptors from structure for polycyclic aromatic hydrocarbons. The new descriptors show no bias in the prediction of the air-water partition coefficient for polycyclic aromatic hydrocarbons unlike the literature values. Copyright © 2014 Elsevier B.V. All rights reserved.

Energy management for cost reduction in the production. TEEM - Total Energy Efficiency Management; Energiemanagement zur Kostensenkung in der Produktion. TEEM - Total Energy Efficiency Management

Energy Technology Data Exchange (ETDEWEB)

Westkaemper, Engelbert; Verl, Alexander (eds.)

2009-07-01

Within the workshop of the Fraunhofer Institute for Manufacturing Engineering and Automation IPA (Stuttgart, Federal Republic of Germany) at 6th October, 2009, in Stuttgart the following lectures were held: (1) Presentation of Fraunhofer Institute for Manufacturing Engineering and Automation IPA (Engelbert Westkaemper); (2) TEEM - Total Energy Efficiency Management - ''With energy management to an energy efficient production'' (Alexander Schloske); (3) DIN EN 16001 Introduction of an energy management system - utilization and advantages for companies (Sylvia Wahren); (4) Analysis of the energy efficiency with power flow - Support and implementation at factory planning and optimization of production (Klaus Erlach); (5) Total Energy Efficiency Management - Approaches at the company Kaercher in injection moulding for example (Axel Leschtar); (6) Modelling the embodied product energy (Shahin Rahimifard); (7) Acquisition of energy data in the production - Technologies and possibilities (Joachim Neher); (8) Active energy management by means of an ''energy control centre'' - Analysis of the real situation and upgrading measures in the production using coating plants as an example (Wolfgang Klein); (9) Visualisation and simulation of energy values in the digital factory (Carmen Constantinescu, Axel Bruns).

Total energy consumption in Finland increased by one percent

International Nuclear Information System (INIS)

Timonen, L.

2000-01-01

The total energy consumption in Finland increased by less than a percent in 1999. The total energy consumption in 1999 was 1310 PJ corresponding to about 31 million toe. The electric power consumption increased moderately by 1.6%, which is less than the growth of the gross national product (3.5%). The final consumption of energy grew even less, only by 0.5%. Import of electric power increased by 19% in 1999. The import of electric power was due to the availability of low-priced electric power on the Nordic electricity markets. Nuclear power generation increased by 5% and the consumption of wood-based fuels by 3%. The increment of the nuclear power generation increased because of the increased output capacity and good operability of the power plants. Wind power production doubles, but the share of it in the total energy consumption is only about 0.01%. The peat consumption decreased by 12% and the consumption of hydroelectric power by 15%. The decrease in production of hydroelectric power was compensated by an increase import of electric power. The consumption of fossil fuels, coal, oil and natural gas remained nearly the same as in 1998. The gasoline consumption, however, decreased, but the consumption of diesel oil increased due to the increased road transport. The share of the fossil fuels was nearly half of the total energy consumption. The consumption of renewable energy sources remained nearly the same, in 23% if the share of peat is excluded, and in 30% if the share of peat is included. Wood-based fuels are the most significant type of renewable fuels. The share of them in 1999 was over 80% of the total usage of the renewable energy sources. The carbon dioxide emissions in Finland decreased in 1999 by 1.0 million tons. The total carbon dioxide emissions were 56 million tons. The decrease was mainly due to the decrease of the peat consumption. The final consumption of energy increased by 0.5%, being hence about 1019 PJ. Industry is the main consumer of energy

Optimized design of total energy systems: The RETE project

Science.gov (United States)

Alia, P.; Dallavalle, F.; Denard, C.; Sanson, F.; Veneziani, S.; Spagni, G.

1980-05-01

The RETE (Reggio Emilia Total Energy) project is discussed. The total energy system (TES) was developed to achieve the maximum quality matching on the thermal energy side between plant and user and perform an open scheme on the electrical energy side by connection with the Italian electrical network. The most significant qualitative considerations at the basis of the plant economic energy optimization and the selection of the operating criterion most fitting the user consumption characteristics and the external system constraints are reported. The design methodology described results in a TES that: in energy terms achieves a total efficiency evaluated on a yearly basis to be equal to about 78 percent and a fuel saving of about 28 percent and in economic terms allows a recovery of the investment required as to conventional solutions, in about seven years.

Estimation of octanol/water partition coefficients using LSER parameters

Science.gov (United States)

Luehrs, Dean C.; Hickey, James P.; Godbole, Kalpana A.; Rogers, Tony N.

1998-01-01

The logarithms of octanol/water partition coefficients, logKow, were regressed against the linear solvation energy relationship (LSER) parameters for a training set of 981 diverse organic chemicals. The standard deviation for logKow was 0.49. The regression equation was then used to estimate logKow for a test of 146 chemicals which included pesticides and other diverse polyfunctional compounds. Thus the octanol/water partition coefficient may be estimated by LSER parameters without elaborate software but only moderate accuracy should be expected.

Atomic resonances above the total ionization energy

International Nuclear Information System (INIS)

Doolen, G.

1975-01-01

A rigorous result obtained using the theory associated with dilatation analytic potentials is that by performing a complex coordinate rotation, r/subj/ → r/subj/e/subi//sup theta/, on a Hamiltonian whose potential involves only pairwise Coulombic interactions, one can show that when theta = π/2, no complex eigenvalues (resonances) appear whose energies have a real part greater than the total ionization energy of the atomic system. This appears to conflict with experimental results of Walton, Peart, and Dolder, who find resonance behavior above the total ionization energy of the H -- system and also the theoretical stabilization results of Taylor and Thomas for the same system. A possible resolution of this apparent conflict is discussed and a calculation to check its validity is proposed

Time Domain Partitioning of Electricity Production Cost Simulations

Energy Technology Data Exchange (ETDEWEB)

Barrows, C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hummon, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Jones, W. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hale, E. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

2014-01-01

Production cost models are often used for planning by simulating power system operations over long time horizons. The simulation of a day-ahead energy market can take several weeks to compute. Tractability improvements are often made through model simplifications, such as: reductions in transmission modeling detail, relaxation of commitment variable integrality, reductions in cost modeling detail, etc. One common simplification is to partition the simulation horizon so that weekly or monthly horizons can be simulated in parallel. However, horizon partitions are often executed with overlap periods of arbitrary and sometimes zero length. We calculate the time domain persistence of historical unit commitment decisions to inform time domain partitioning of production cost models. The results are implemented using PLEXOS production cost modeling software in an HPC environment to improve the computation time of simulations while maintaining solution integrity.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F∙∙∙HCH₂ CN transition state: Disagreement with experiment

Energy Technology Data Exchange (ETDEWEB)

Pratihar, Subha [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ma, Xinyou [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Xie, Jing [Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA; Scott, Rebecca [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Gao, Eric [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ruscic, Branko [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA and Computation Institute, University of Chicago, Chicago, Illinois 60637, USA; Aquino, Adelia J. A. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; School of Pharmaceutical Science and Technology, Tianjin University, Tianjin 300072, People’s Republic of China; Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Setser, Donald W. [Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Hase, William L. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA

2017-10-14

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH₃CN → HF + CH₂CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. In accord with experiment and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F-HCH₂CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST for the simulation. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH₂CN and then trapping in the CH₂CN-HF post-reaction potential energy well of ~10 kcal/mol with respect to the HF + CH₂CN products. In contrast to this IRC, five different trajectory types were observed, with the majority involving direct dissociation and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH₂CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. From the simulations and with an anharmonic zero-point energy constraint, the percentage partitioning of the product energy to relative translation, HF rotation, HF vibration, CH₂CN rotation and CH₂CN vibration is 5, 11, 60, 7, and 16%, respectively. In contrast the experimental energy partitioning percentages to HF rotation and vibration are 6 and 41%. Comparisons are made between the current simulation and those for other F + H

Partitioning and Transmutation: IAEA Activities

International Nuclear Information System (INIS)

Basak, U.; Monti, S.; )

2015-01-01

Full text of publication follows: The importance of partitioning and transmutation (P and T) processes for sustaining nuclear energy growth in the world has been realised in several countries across the world. P and T processes aim at separation and recycling of actinides including minor actinides (MAs) from the spent fuel or high-level liquid waste. The objective of these processes include reuse of separated fissile materials from spent nuclear fuels to obtain energy, enhance resource utilisation, reduce the disposal of toxic radio-nuclides and improve long-term performance of geological repositories. R and D programmes have been launched in many of the Member States to develop advanced partitioning process based on either aqueous or pyro to recover MAs along with other actinides as well as automated and remote techniques for manufacturing fuels containing MAs for the purpose of transmuting them either in fast reactors or accelerator driven hybrids. A number of Member States have been also developing such transmutation systems with the aim to construct and operate demo plants and prototypes in the next decade. The International Atomic Energy Agency has a high priority for the activities on partitioning and transmutation and regularly organises conferences, workshops, seminars and technical meetings in the areas of P and T as a part of information exchange and knowledge sharing at the international level. In the recent past, the Agency organised two technical meetings on advanced partitioning processes and actinide recycle technologies with the objective of providing a common platform for the scientists and engineers working in the areas of separation of actinides along with MAs from spent nuclear fuels and manufacturing of advanced fuels containing MAs in order to bridge the technological gap between them. In 2010, the Agency concluded a Coordinated Research Project (CRP) related to Assessment of Partitioning Processes. The Agency also conducted a first CRP on

Evaluation of upper and lower bounds to energy eigenvalues in Shoenberg's perturbation-theory ground state by means of partitioning technique

International Nuclear Information System (INIS)

Logrado, P.G.; Vianna, J.D.M.

Upper and lower bounds for the energy eigenvalues is Schoenberg's perturbation-theory ground state are studied. After a review of the characteristic features of the partitioning techniques the perturbative expansion proposed by Schoenberg is generated from an exact operator equation. The upper and lower bounds for the ground state eigenvalue are derived by using reaction and wave operators concepts, the bracketing function and operator inequalities. (Author) [pt

Spatial and Temporal Variations in Slip Partitioning During Oblique Convergence Experiments

Science.gov (United States)

Beyer, J. L.; Cooke, M. L.; Toeneboehn, K.

2017-12-01

Physical experiments of oblique convergence in wet kaolin demonstrate the development of slip partitioning, where two faults accommodate strain via different slip vectors. In these experiments, the second fault forms after the development of the first fault. As one strain component is relieved by one fault, the local stress field then favors the development of a second fault with different slip sense. A suite of physical experiments reveals three styles of slip partitioning development controlled by the convergence angle and presence of a pre-existing fault. In experiments with low convergence angles, strike-slip faults grow prior to reverse faults (Type 1) regardless of whether the fault is precut or not. In experiments with moderate convergence angles, slip partitioning is dominantly controlled by the presence of a pre-existing fault. In all experiments, the primarily reverse fault forms first. Slip partitioning then develops with the initiation of strike-slip along the precut fault (Type 2) or growth of a secondary reverse fault where the first fault is steepest. Subsequently, the slip on the first fault transitions to primarily strike-slip (Type 3). Slip rates and rakes along the slip partitioned faults for both precut and uncut experiments vary temporally, suggesting that faults in these slip-partitioned systems are constantly adapting to the conditions produced by slip along nearby faults in the system. While physical experiments show the evolution of slip partitioning, numerical simulations of the experiments provide information about both the stress and strain fields, which can be used to compute the full work budget, providing insight into the mechanisms that drive slip partitioning. Preliminary simulations of precut experiments show that strain energy density (internal work) can be used to predict fault growth, highlighting where fault growth can reduce off-fault deformation in the physical experiments. In numerical simulations of uncut experiments with a

The Use of Trust Regions in Kohn-Sham Total Energy Minimization

International Nuclear Information System (INIS)

Yang, Chao; Meza, Juan C.; Wang, Lin-wang

2006-01-01

The Self Consistent Field (SCF) iteration, widely used for computing the ground state energy and the corresponding single particle wave functions associated with a many-electron atomistic system, is viewed in this paper as an optimization procedure that minimizes the Kohn-Sham total energy indirectly by minimizing a sequence of quadratic surrogate functions. We point out the similarity and difference between the total energy and the surrogate, and show how the SCF iteration can fail when the minimizer of the surrogate produces an increase in the KS total energy. A trust region technique is introduced as a way to restrict the update of the wave functions within a small neighborhood of an approximate solution at which the gradient of the total energy agrees with that of the surrogate. The use of trust region in SCF is not new. However, it has been observed that directly applying a trust region based SCF(TRSCF) to the Kohn-Sham total energy often leads to slow convergence. We propose to use TRSCF within a direct constrained minimization(DCM) algorithm we developed in dcm. The key ingredients of the DCM algorithm involve projecting the total energy function into a sequence of subspaces of small dimensions and seeking the minimizer of the total energy function within each subspace. The minimizer of a subspace energy function, which is computed by TRSCF, not only provides a search direction along which the KS total energy function decreases but also gives an optimal 'step-length' that yields a sufficient decrease in total energy. A numerical example is provided to demonstrate that the combination of TRSCF and DCM is more efficient than SCF

The energy partitioning of non-thermal particles in a plasma: the Coulomb logarithm revisited

International Nuclear Information System (INIS)

Singleton, Robert L Jr; Brown, Lowell S

2008-01-01

The charged particle stopping power in a highly ionized and weakly to moderately coupled plasma has been calculated exactly to leading and next-to-leading accuracy in the plasma density by Brown, Preston and Singleton (BPS). Since the calculational techniques of BPS might be unfamiliar to some, and since the same methodology can also be used for other energy transport phenomena, we will review the main ideas behind the calculation. BPS used their stopping power calculation to derive a Fokker-Planck equation, also accurate to leading and next-to-leading orders, and we will also review this. We use this Fokker-Planck equation to compute the electron-ion energy partitioning of a charged particle traversing a plasma. The motivation for this application is ignition for inertial confinement fusion-more energy delivered to the ions means a better chance of ignition, and conversely. It is therefore important to calculate the fractional energy loss to electrons and ions as accurately as possible. One method by which one calculates the electron-ion energy splitting of a charged particle traversing a plasma involves integrating the stopping power dE/dx. However, as the charged particle slows down and becomes thermalized into the background plasma, this method of calculating the electron-ion energy splitting breaks down. As a result, it suffers a systematic error that may be as large as T/E 0 , where T is the plasma temperature and E 0 is the initial energy of the charged particle. The formalism presented here is designed to account for the thermalization process and it provides results that are near-exact.

Economics of total energy schemes in the liberalised European energy market

Science.gov (United States)

Lampret, Peter

This thesis is concerned with the liberalisation of the European Energy markets and the affects this has had on total energy systems. The work concentrates on a number of case studies all of which are located in the area surrounding Gelsenkirchen - Bottrop - Gladbeck, the centre of the Ruhr region of Germany.The thesis describes briefly how the legislation of the parliament of the extended European Union has been interpreted and enacted into German legislation and its affects on production, transport, sales and customers. Primarily the legislation has been enacted to reduce energy costs by having a competitive market while enabling security of supply. The legislation whose development has accelerated since 1999 can lead to negative effects and these have been highlighted for the case studies chosen.The legislation and technological advances, each of them successful by themselves, do not provide the expected reduction of carbon dioxide emissions when applied to total energy system. The introduction of human behaviour as a missing link makes the problems evident and gives a theoretical basis to overcome these problems. The hypothesis is proven by eight detailed research projects and four concisely described ones.The base of the research is the experience gained on approximately 1,000 operation years of the simplest total energy system, that of centralised heating. This experience is transferred to different solutions for total energy systems and their economics in combination with the changing legislation and observation of human behaviour.The variety of topics of the case studies includes the production of heat by boiler, solar or combined heat and power and the use of fuel cells. Additionally the transfer of heat, at the place of demand is considered, either as an individual boiler in a building or as de-centralised district heating.The various results of these projects come together in a final project which covers four different heating systems in identical

The SOS model partition function and the elliptic weight functions

International Nuclear Information System (INIS)

Pakuliak, S; Silantyev, A; Rubtsov, V

2008-01-01

We generalized a recent observation (Khoroshkin and Pakuliak 2005 Theor. Math. Phys. 145 1373) that the partition function of the six-vertex model with domain wall boundary conditions can be obtained from a calculation of projections of the product of total currents in the quantum affine algebra U q (sl 2 -hat) in its current realization. A generalization is done for the elliptic current algebra (Enriquez and Felder 1998 Commun. Math. Phys. 195 651, Enriquez and Rubtsov 1997 Ann. Sci. Ecole Norm. Sup. 30 821). The projections of the product of total currents in this case are calculated explicitly and are presented as integral transforms of a product of the total currents. It is proved that the integral kernel of this transform is proportional to the partition function of the SOS model with domain wall boundary conditions

Source partitioning of methane emissions and its seasonality in the U.S. Midwest

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Zichong Chen; Timothy J. Griffis; John M. Baker; Dylan B. Millet; Jeffrey D. Wood; Edward J. Dlugokencky; Arlyn E. Andrews; Colm Sweeney; Cheng Hu; Randall K. Kolka

2018-01-01

The methane (CH4) budget and its source partitioning are poorly constrained in the Midwestern United States. We used tall tower (185 m) aerodynamic flux measurements and atmospheric scale factor Bayesian inversions to constrain the monthly budget and to partition the total budget into natural (e.g., wetlands) and anthropogenic (e.g., livestock,...

Statistical properties of kinetic and total energy densities in reverberant spaces

DEFF Research Database (Denmark)

Jacobsen, Finn; Molares, Alfonso Rodriguez

2010-01-01

Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete....... With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically...... positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high...

Equilibrium thermodynamics of the partitioning of non-steroidal anti-inflammatory drugs into human erythrocyte ghost membranes

International Nuclear Information System (INIS)

Omran, Ahmed A.

2013-01-01

Graphical abstract: Bar diagram representing thermodynamic parameters obtained for the partitioning of NSAIDs into human erythrocyte ghost membranes at physiological pH; 7.4. Highlights: • Partition coefficients of NSAIDs into HEG membranes were determined. • Thermodynamic parameters were evaluated and successfully analyzed. • Partitioning of NSAIDs into HEG membranes was exothermic. • Partitioning of NSAIDs into HEG is spontaneous with negative free energy values. • Identical partitioning enthalpy–entropy driven compensation mechanism was shown. -- Abstract: In this work,second derivative spectrophotometry was applied for determining the partition coefficients (K p s) of four non-steroidal anti-inflammatory drugs (NSAIDs; flufenamic, meclofenamic, mefenamic and niflumic acids) into human erythrocyte ghost (HEG) membranes over a temperature range from (283.2 to 313.2) K. The proposed method allowed the evaluation and direct analyses of thermodynamic parameters; enthalpy (ΔH W→M ), Gibbs energy (ΔG W→M ) and entropy (ΔS W→M ) changes of the partitioning of NSAIDs into HEG membranes. The partitioning of NSAIDs between polar aqueous phase and non-polar lipid bilayer HEG membrane phase was exothermic with negative (ΔH W→M ) which compensated for the changes in (ΔS W→M ). The negative values of (ΔG W→M ) revealed that the partitioning of NSAIDs into HEG, owing to their transfer from polar aqueous phase and non-polar HEG phase is spontaneous. The enthalpy–entropy correlation analysis resulted in a good linearity that suggests an identical partitioning enthalpy–entropy driven compensation mechanism for the studied NSAIDs

A Timing-Driven Partitioning System for Multiple FPGAs

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Kalapi Roy

1996-01-01

Full Text Available Field-programmable systems with multiple FPGAs on a PCB or an MCM are being used by system designers when a single FPGA is not sufficient. We address the problem of partitioning a large technology mapped FPGA circuit onto multiple FPGA devices of a specific target technology. The physical characteristics of the multiple FPGA system (MFS pose additional constraints to the circuit partitioning algorithms: the capacity of each FPGA, the timing constraints, the number of I/Os per FPGA, and the pre-designed interconnection patterns of each FPGA and the package. Existing partitioning techniques which minimize just the cut sizes of partitions fail to satisfy the above challenges. We therefore present a timing driven N-way partitioning algorithm based on simulated annealing for technology-mapped FPGA circuits. The signal path delays are estimated during partitioning using a timing model specific to a multiple FPGA architecture. The model combines all possible delay factors in a system with multiple FPGA chips of a target technology. Furthermore, we have incorporated a new dynamic net-weighting scheme to minimize the number of pin-outs for each chip. Finally, we have developed a graph-based global router for pin assignment which can handle the pre-routed connections of our MFS structure. In order to reduce the time spent in the simulated annealing phase of the partitioner, clusters of circuit components are identified by a new linear-time bottom-up clustering algorithm. The annealing-based N-way partitioner executes four times faster using the clusters as opposed to a flat netlist with improved partitioning results. For several industrial circuits, our approach outperforms the recursive min-cut bi-partitioning algorithm by 35% in terms of nets cut. Our approach also outperforms an industrial FPGA partitioner by 73% on average in terms of unroutable nets. Using the performance optimization capabilities in our approach we have successfully partitioned the

Many-body formalism for fermions: The partition function

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Watson, D. K.

2017-09-01

The partition function, a fundamental tenet in statistical thermodynamics, contains in principle all thermodynamic information about a system. It encapsulates both microscopic information through the quantum energy levels and statistical information from the partitioning of the particles among the available energy levels. For identical particles, this statistical accounting is complicated by the symmetry requirements of the allowed quantum states. In particular, for Fermi systems, the enforcement of the Pauli principle is typically a numerically demanding task, responsible for much of the cost of the calculations. The interplay of these three elements—the structure of the many-body spectrum, the statistical partitioning of the N particles among the available levels, and the enforcement of the Pauli principle—drives the behavior of mesoscopic and macroscopic Fermi systems. In this paper, we develop an approach for the determination of the partition function, a numerically difficult task, for systems of strongly interacting identical fermions and apply it to a model system of harmonically confined, harmonically interacting fermions. This approach uses a recently introduced many-body method that is an extension of the symmetry-invariant perturbation method (SPT) originally developed for bosons. It uses group theory and graphical techniques to avoid the heavy computational demands of conventional many-body methods which typically scale exponentially with the number of particles. The SPT application of the Pauli principle is trivial to implement since it is done "on paper" by imposing restrictions on the normal-mode quantum numbers at first order in the perturbation. The method is applied through first order and represents an extension of the SPT method to excited states. Our method of determining the partition function and various thermodynamic quantities is accurate and efficient and has the potential to yield interesting insight into the role played by the Pauli

Exact and Effective Pair-Wise Potential for Protein-Ligand Interactions Obtained from a Semiempirical Energy Partition

Directory of Open Access Journals (Sweden)

André Melo

2008-09-01

Full Text Available In this work, the partition method introduced by Carvalho and Melo was used to study the complex between Cucurbita maxima trypsin inhibitor (CMTI-I and glycerol at the AM1 level. An effective potential, combining non-bonding and polarization plus charge transfer (PLCT terms, was introduced to evaluate the magnitude of the interaction between each amino acid and the ligand. In this case study, the nonbonding–PLCT noncompensation characterizes the stabilization energy of the association process in study. The main residues (Gly29, Cys3 and Arg5 with net attractive effects and Arg1 (with a net repulsive effect, responsible by the stability of protein-ligand complex, are associated with large nonbonding energies non-compensated by PLCT effects. The results obtained enable us to conclude that the present decomposition scheme can be used for understanding the cohesive phenomena in proteins.

Safety-Critical Partitioned Software Architecture: A Partitioned Software Architecture for Robotic

Science.gov (United States)

Horvath, Greg; Chung, Seung H.; Cilloniz-Bicchi, Ferner

2011-01-01

The flight software on virtually every mission currently managed by JPL has several major flaws that make it vulnerable to potentially fatal software defects. Many of these problems can be addressed by recently developed partitioned operating systems (OS). JPL has avoided adopting a partitioned operating system on its flight missions, primarily because doing so would require significant changes in flight software design, and the risks associated with changes of that magnitude cannot be accepted by an active flight project. The choice of a partitioned OS can have a dramatic effect on the overall system and software architecture, allowing for realization of benefits far beyond the concerns typically associated with the choice of OS. Specifically, we believe that a partitioned operating system, when coupled with an appropriate architecture, can provide a strong infrastructure for developing systems for which reusability, modifiability, testability, and reliability are essential qualities. By adopting a partitioned OS, projects can gain benefits throughout the entire development lifecycle, from requirements and design, all the way to implementation, testing, and operations.

The total Hartree-Fock energy-eigenvalue sum relationship in atoms

International Nuclear Information System (INIS)

Sen, K.D.

1979-01-01

Using the well known relationships for the isoelectronic changes in the total Hartree-Fock energy, nucleus-electron attraction energy and electron-electron repulsion energy in atoms a simple polynomial expansion in Z is obtained for the sum of the eigenvalues which can be used to calculate the total Hartree-Fock energy. Numerical results are presented for 2-10 electron series to show that the present relationship is a better approximation than the other available energy-eigenvalue relationships. (author)

Dietary fat sources affect feed intake, digestibility, rumen microbial populations, energy partition and methane emissions in different beef cattle genotypes.

Science.gov (United States)

Kaewpila, C; Sommart, K; Mitsumori, M

2018-03-20

The mitigation of enteric methane emission in beef cattle production is important for reducing feed energy loss and increasing environmental sustainability. The main objective of this study was to evaluate the effect of different oilseeds included in fermented total mixed rations (whole soyabean seed (SBS, control), whole kapok seed (KPS) and cracked oil palm fruit (OPF)) on feed intake, digestibility, rumen microbial populations, energy partition and methane emissions in different cattle genotypes (Charolais crossbred v. Japanese Black crossbred). Three Charolais crossbred and three Japanese Black crossbred bulls were studied in a replicated 3×3 Latin square experimental design; genotypes were analysed in separate squares including three periods of 21 days each and three dietary oilseed treatments fed ad libitum. The cattle were placed in a metabolic cage equipped with a ventilated head box respiration system for evaluating digestibility and energy balance. As compared with Charolais crossbred individuals, Japanese Black crossbred bulls showed consistently lower dry matter intake (15.5%, P0.05) or diet (P>0.05) under the experimental conditions and ranged from 5.8% to 6.0% of gross energy intake. This value is lower than that reported by the Intergovernmental Panel on Climate Change (6.5%) for cattle fed with low-quality crop residues or by-products. Thus, our results imply that the Japanese Black crossbred cattle consume less feed and emits less enteric methane than the Charolais crossbred does, mainly owing to its lower ME requirement for maintenance. The OPF diet could be used to replace SBS for high beef production, although further studies are required to evaluate their application across a wide range of beef production systems.

Energy Inputs Uncertainty: Total Amount, Distribution and Correlation Between Different Forms of Energy

Science.gov (United States)

Deng, Yue

2014-01-01

Describes solar energy inputs contributing to ionospheric and thermospheric weather processes, including total energy amounts, distributions and the correlation between particle precipitation and Poynting flux.

Polymers as reference partitioning phase: polymer calibration for an analytically operational approach to quantify multimedia phase partitioning

DEFF Research Database (Denmark)

Gilbert, Dorothea; Witt, Gesine; Smedes, Foppe

2016-01-01

Polymers are increasingly applied for the enrichment of hydrophobic organic chemicals (HOCs) from various types of samples and media in many analytical partitioning-based measuring techniques. We propose using polymers as a reference partitioning phase and introduce polymer-polymer partitioning......-air) and multimedia partition coefficients (lipid-water, air-water) were calculated by applying the new concept of a polymer as reference partitioning phase and by using polymer-polymer partition coefficients as conversion factors. The present study encourages the use of polymer-polymer partition coefficients...

Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

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Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

2015-04-30

The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

Partitioning high-level waste from alkaline solution: A literature survey

International Nuclear Information System (INIS)

Marsh, S.F.

1993-05-01

Most chemical partitioning procedures are designed for acidic feed solutions. However, the high-level waste solutions in the underground storage tanks at US Department of Energy defense production sites are alkaline. Effective partitioning procedures for alkaline solutions could decrease the need to acidify these solutions and to dissolve the solids in acid, which would simplify subsequent processing and decrease the generation of secondary waste. The author compiles candidate technologies from his review of the chemical literature, experience, and personal contacts. Several of these are recommended for evaluation

Polyacrylate–water partitioning of biocidal compounds: Enhancing the understanding of biocide partitioning between render and water

DEFF Research Database (Denmark)

Bollmann, Ulla E.; Ou, Yi; Mayer, Philipp

2014-01-01

-N-octylisothiazolinone). The correlation of the polyacrylate-water partition constants with the octanol-water partition constants is significant, but the polyacrylate-water partition constants were predominantly below octanol-water partition constants (Kow). The comparison with render-water distribution constants showed that estimating...

Combining total energy and energy industrial center concepts to increase utilization efficiency of geothermal energy

Science.gov (United States)

Bayliss, B. P.

1974-01-01

Integrating energy production and energy consumption to produce a total energy system within an energy industrial center which would result in more power production from a given energy source and less pollution of the environment is discussed. Strong governmental support would be required for the crash drilling program necessary to implement these concepts. Cooperation among the federal agencies, power producers, and private industry would be essential in avoiding redundant and fruitless projects, and in exploiting most efficiently our geothermal resources.

Medium properties and total energy coupling in underground explosions

International Nuclear Information System (INIS)

Kurtz, S.R.

1975-01-01

A phenomenological model is presented that allows the direct calculation of the effects of variations in medium properties on the total energy coupling between the medium and an underground explosion. The model presented is based upon the assumption that the shock wave generated in the medium can be described as a spherical blast wave at early times. The total energy coupled to the medium is then simply the sum of the kinetic and internal energies of this blast wave. Results obtained by use of this model indicate that the energy coupling is more strongly affected by the medium's porosity than by its water content. These results agree well with those obtained by summing the energy deposited by the blast wave as a function of range

Entropy based file type identification and partitioning

Science.gov (United States)

2017-06-01

energy spectrum,” Proceedings of the Twenty-Ninth International Florida Artificial Intelligence Research Society Conference, pp. 288–293, 2016...ABBREVIATIONS AES Advanced Encryption Standard ANN Artificial Neural Network ASCII American Standard Code for Information Interchange CWT...the identification of file types and file partitioning. This approach has applications in cybersecurity as it allows for a quick determination of

Photosynthate partitioning in alfalfa before harvest and during regrowth

International Nuclear Information System (INIS)

Cralle, H.T.; Heichel, G.H.

1988-01-01

During the harvest regrowth cycle of alfalfa (Medicago sativa L.) plants, factors such as source to sink distance, sink size, and inter-organ competition continually change. However, consequent changes in the pattern of photosynthate partitioning from leaves to other organs are poorly understood. The authors objective was to examine photosynthate partitioning from upper and lower alfalfa leaves at intervals before herbage harvest and during regrowth after harvest. The uppermost or lowest fully expanded leaf on the longest or dominant stem was labeled with 14 CO 2 . After a 24-h translocation period, the plants were divided into various organs to determine distribution of the radiocarbon. At that time, the upper leaf preferentially partitioned photosynthate to the shoot apex, unexpanded leaves and auxillary shoots of the dominant shoot, whereas the lower leaf preferentially distributed photosynthate to the crown shoots, crown, root, and nodules. Expressions of 14 C partitioning were affected differently by organ mass. While the smallest organs such as nodules and unexpanded leaves always ranked higher for 14 C based on relative specific activity, the largest organs such as roots and crown shoots accumulated the largest percentage of total plant recovered radioactivity. The results illustrate the importance of growth stage and leaf position in photosynthate partitioning in alfalfa and the dominance of herbage meristems for current photosynthate during regrowth

Cost efficient CFD simulations: Proper selection of domain partitioning strategies

Science.gov (United States)

Haddadi, Bahram; Jordan, Christian; Harasek, Michael

2017-10-01

Computational Fluid Dynamics (CFD) is one of the most powerful simulation methods, which is used for temporally and spatially resolved solutions of fluid flow, heat transfer, mass transfer, etc. One of the challenges of Computational Fluid Dynamics is the extreme hardware demand. Nowadays super-computers (e.g. High Performance Computing, HPC) featuring multiple CPU cores are applied for solving-the simulation domain is split into partitions for each core. Some of the different methods for partitioning are investigated in this paper. As a practical example, a new open source based solver was utilized for simulating packed bed adsorption, a common separation method within the field of thermal process engineering. Adsorption can for example be applied for removal of trace gases from a gas stream or pure gases production like Hydrogen. For comparing the performance of the partitioning methods, a 60 million cell mesh for a packed bed of spherical adsorbents was created; one second of the adsorption process was simulated. Different partitioning methods available in OpenFOAM® (Scotch, Simple, and Hierarchical) have been used with different numbers of sub-domains. The effect of the different methods and number of processor cores on the simulation speedup and also energy consumption were investigated for two different hardware infrastructures (Vienna Scientific Clusters VSC 2 and VSC 3). As a general recommendation an optimum number of cells per processor core was calculated. Optimized simulation speed, lower energy consumption and consequently the cost effects are reported here.

Gate-tunable current partition in graphene-based topological zero lines

Science.gov (United States)

Wang, Ke; Ren, Yafei; Deng, Xinzhou; Yang, Shengyuan A.; Jung, Jeil; Qiao, Zhenhua

2017-06-01

We demonstrate new mechanisms for gate-tunable current partition at topological zero-line intersections in a graphene-based current splitter. Based on numerical calculations of the nonequilibrium Green's functions and Landauer-Büttiker formula, we show that the presence of a perpendicular magnetic field on the order of a few Teslas allows for carrier sign dependent current routing. In the zero-field limit the control on current routing and partition can be achieved within a range of 10-90 % of the total incoming current by tuning the carrier density at tilted intersections or by modifying the relative magnitude of the bulk band gaps via gate voltage. We discuss the implications of our findings in the design of topological zero-line networks where finite orbital magnetic moments are expected when the current partition is asymmetric.

Transfer and partitioning of energy and mass through seafloor hydrothermal systems: comparative studies at the Ridge2000 Integrated Study Sites (ISS) (Invited)

Science.gov (United States)

Tivey, M. K.

2010-12-01

Seafloor hydrothermal systems are major players in the transfer of mass and energy from the mantle and crust to the ocean and biosphere. Over the past thirty years, much has been learned about this transfer to the ocean, but considerably less is known about the transfer to the biosphere. Study of hydrothermal systems in a diverse range of geologic settings has shown relationships between spreading rate and hydrothermal heat flux, substrate composition (including rock geochemistry, presence/absence of sediment) and hydrothermal fluid composition, and magmatic/tectonic events and temporal variability of fluid composition (e.g., German and Von Damm, Treatise On Geochemistry, 2004; Baker et al. AGU Monograph Series 91, 1995). Studies in arc and back-arc settings are documenting the effects of magmatic acid volatiles on fluid-rock reaction and fluid and vent deposit compositions (e.g., Ishibashi and Urabe, Backarc Basins: Tectonics and Magmatism, 1995). These comparative studies in a wide range of geologic settings, including at the three Ridge2000 ISS, have provided a fairly good understanding of the flux of heat and many elements to the ocean associated with high temperature seafloor hydrothermal systems. Considerably less is known, however, about the partitioning of heat and mass (particularly metals and sulfur) in hydrothermal systems. The deposits that form at vent sites are intimately linked within paths of energy and mass transport from the mantle and crust to the oceans. Transport differs greatly through different types of deposits (e.g., black smokers, white smokers/diffusers, flanges). Estimates of heat flux from measured temperatures of flow (unless integrated over and around an entire vent field) require an understanding of the partitioning of flow between focused black smokers and more diffuse flow from diffusers, flanges, and surfaces of deposits, and from the igneous substrate. Estimates of mass flux into the ocean require an understanding of the

Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.

Science.gov (United States)

Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás

2016-07-15

The electronic energy partition established by the Interacting Quantum Atoms (IQA) approach is an important method of wavefunction analyses which has yielded valuable insights about different phenomena in physical chemistry. Most of the IQA applications have relied upon approximations, which do not include either dynamical correlation (DC) such as Hartree-Fock (HF) or external DC like CASSCF theory. Recently, DC was included in the IQA method by means of HF/Coupled-Cluster (CC) transition densities (Chávez-Calvillo et al., Comput. Theory Chem. 2015, 1053, 90). Despite the potential utility of this approach, it has a few drawbacks, for example, it is not consistent with the calculation of CC properties different from the total electronic energy. To improve this situation, we have implemented the IQA energy partition based on CC Lagrangian one- and two-electron orbital density matrices. The development presented in this article is tested and illustrated with the H2 , LiH, H2 O, H2 S, N2 , and CO molecules for which the IQA results obtained under the consideration of (i) the CC Lagrangian, (ii) HF/CC transition densities, and (iii) HF are critically analyzed and compared. Additionally, the effect of the DC in the different components of the electronic energy in the formation of the T-shaped (H2 )2 van der Waals cluster and the bimolecular nucleophilic substitution between F(-) and CH3 F is examined. We anticipate that the approach put forward in this article will provide new understandings on subjects in physical chemistry wherein DC plays a crucial role like molecular interactions along with chemical bonding and reactivity. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Partitioning of copy-number genotypes in pedigrees

Directory of Open Access Journals (Sweden)

Andelfinger Gregor U

2010-05-01

Full Text Available Abstract Background Copy number variations (CNVs and polymorphisms (CNPs have only recently gained the genetic community's attention. Conservative estimates have shown that CNVs and CNPs might affect more than 10% of the genome and that they may be at least as important as single nucleotide polymorphisms in assessing human variability. Widely used tools for CNP analysis have been implemented in Birdsuite and PLINK for the purpose of conducting genetic association studies based on the unpartitioned total number of CNP copies provided by the intensities from Affymetrix's Genome-Wide Human SNP Array. Here, we are interested in partitioning copy number variations and polymorphisms in extended pedigrees for the purpose of linkage analysis on familial data. Results We have developed CNGen, a new software for the partitioning of copy number polymorphism using the integrated genotypes from Birdsuite with the Affymetrix platform. The algorithm applied to familial trios or extended pedigrees can produce partitioned copy number genotypes with distinct parental alleles. We have validated the algorithm using simulations on a complex pedigree structure using frequencies calculated from a real dataset of 300 genotyped samples from 42 pedigrees segregating a congenital heart defect phenotype. Conclusions CNGen is the first published software for the partitioning of copy number genotypes in pedigrees, making possible the use CNPs and CNVs for linkage analysis. It was implemented with the Python interpreter version 2.5.2. It was successfully tested on current Linux, Windows and Mac OS workstations.

The complex formation-partition and partition-association models of solvent extraction of ions

International Nuclear Information System (INIS)

Siekierski, S.

1976-01-01

Two models of the extraction process have been proposed. In the first model it is assumed that the partitioning neutral species is at first formed in the aqueous phase and then transferred into the organic phase. The second model is based on the assumption that equivalent amounts of cations are at first transferred from the aqueous into the organic phase and then associated to form a neutral molecule. The role of the solubility parameter in extraction and the relation between the solubility of liquid organic substances in water and the partition of complexes have been discussed. The extraction of simple complexes and complexes with organic ligands has been discussed using the first model. Partition coefficients have been calculated theoretically and compared with experimental values in some very simple cases. The extraction of ion pairs has been discussed using the partition-association model and the concept of single-ion partition coefficients. (author)

COMPUTING VERTICES OF INTEGER PARTITION POLYTOPES

Directory of Open Access Journals (Sweden)

A. S. Vroublevski

2015-01-01

Full Text Available The paper describes a method of generating vertices of the polytopes of integer partitions that was used by the authors to calculate all vertices and support vertices of the partition polytopes for all n ≤ 105 and all knapsack partitions of n ≤ 165. The method avoids generating all partitions of n. The vertices are determined with the help of sufficient and necessary conditions; in the hard cases, the well-known program Polymake is used. Some computational aspects are exposed in more detail. These are the algorithm for checking the criterion that characterizes partitions that are convex combinations of two other partitions; the way of using two combinatorial operations that transform the known vertices to the new ones; and employing the Polymake to recognize a limited number (for small n of partitions that need three or more other partitions for being convexly expressed. We discuss the computational results on the numbers of vertices and support vertices of the partition polytopes and some appealing problems these results give rise to.

[Review of wireless energy transmission system for total artificial heart].

Science.gov (United States)

Zhang, Chi; Yang, Ming

2009-11-01

This paper sums up the fundamental structure of wireless energy transmission system for total artificial heart, and compares the key parameters and performance of some representative systems. After that, it is discussed that the future development trend of wireless energy transmission system for total artificial heart.

In adolescence a higher 'eveningness in energy intake' is associated with higher total daily energy intake.

Science.gov (United States)

Diederichs, Tanja; Perrar, Ines; Roßbach, Sarah; Alexy, Ute; Buyken, Anette E

2018-05-26

The present manuscript addressed two hypotheses: (i) As children age, energy intake is shifted from morning (energy intake energy intake >6pm) (ii) A higher 'eveningness in energy intake' (i.e. evening minus morning energy intake) is associated with a higher total daily energy intake. Data were analyzed from 262 DONALD cohort study participants, who had completed at least one 3-day weighed dietary record in the age groups 3/4, 5/6, 7/8, 9/10, 11/12, 13/14, 15/16 and 17/18 years (y). 'Eveningness in energy intake' was compared across age groups and related to total daily energy intake for each age group (multiple cross-sectional analyses). 'Eveningness' increased progressively from age group 3/4y to age group 17/18y. A median surplus of evening energy intake (i.e. when evening intake exceeded morning intake) was firstly observed for age group 11/12y. From age group 11/12y onwards, a higher 'eveningness' was associated with a higher total daily energy intake (all p energy intake between the highest and the lowest tertile of 'eveningness' was largest for age group 17/18y, amounting to an 11% higher intake among adolescents in the highest as compared to those in the lowest tertile. In conclusion, energy intake progressively shifts from morning to evening hours as children age. Once evening energy intake exceeds morning energy intake, a higher 'eveningness in energy intake' is associated with higher total daily energy intake. Copyright © 2018 Elsevier Ltd. All rights reserved.

Total Cross Sections at High Energies An update

CERN Document Server

Fazal-e-Aleem, M; Alam, Saeed; Qadee-Afzal, M

2002-01-01

Current and Future measurements for the total cross sections at E-811, PP2PP, CSM, FELIX and TOTEM have been analyzed using various models. In the light of this study an attempt has been made to focus on the behavior of total cross section at very high energies.

Institutional total energy case studies

Energy Technology Data Exchange (ETDEWEB)

Wulfinghoff, D.

1979-07-01

Profiles of three total energy systems in institutional settings are provided in this report. The plants are those of Franciscan Hospital, a 384-bed facility in Rock Island, Illinois; Franklin Foundation Hospital, a 100-bed hospital in Franklin, Louisiana; and the North American Air Defense Command Cheyenne Mountain Complex, a military installation near Colorado Springs, Colorado. The case studies include descriptions of plant components and configurations, operation and maintenance procedures, reliability, relationships to public utilities, staffing, economic efficiency, and factors contributing to success.

Comparative risk assessment of total energy systems

International Nuclear Information System (INIS)

Soerensen, B.

1982-01-01

The paper discusses a methodology for total impact assessment of energy systems, ideally evaluating all the impacts that a given energy system has on the society in which it is imbedded or into which its introduction is being considered. Impacts from the entire energy conversion chain ('fuel cycle' if the system is fuel-based), including energy storage, transport and transmission, as well as the institutions formed in order to manage the system, should be compared on the basis of the energy service provided. A number of impacts are considered, broadly classified as impacts on satisfaction of biological needs, on health, on environment, on social relations and on the structure of society. Further considerations include impacts related to cost and resilience, and, last but not least, impacts on global relations. The paper discusses a number of published energy studies in the light of the comparative impact assessment methodology outlined above. (author)

A constrained optimization algorithm for total energy minimization in electronic structure calculations

International Nuclear Information System (INIS)

Yang Chao; Meza, Juan C.; Wang Linwang

2006-01-01

A new direct constrained optimization algorithm for minimizing the Kohn-Sham (KS) total energy functional is presented in this paper. The key ingredients of this algorithm involve projecting the total energy functional into a sequence of subspaces of small dimensions and seeking the minimizer of total energy functional within each subspace. The minimizer of a subspace energy functional not only provides a search direction along which the KS total energy functional decreases but also gives an optimal 'step-length' to move along this search direction. Numerical examples are provided to demonstrate that this new direct constrained optimization algorithm can be more efficient than the self-consistent field (SCF) iteration

Excess energy partitioning between electrons departing at 0o and 180o in the ionization of helium near threshold

International Nuclear Information System (INIS)

Asmis, K.R.; Allan, M.

1997-01-01

Partitioning of excess energy between electrons departing at 0 o and 180 o after electron-impact ionization of helium has been measured. A recently developed scheme, using a magnetically collimated electron-impact spectrometer, pulsed incident electron beam and time-of-flight detection was used to detect the electrons departing in the forward and backward directions. The ratios of the forward and backward doubly differential cross-sections (DDCS) for an incident electron energy 3 eV above threshold and secondary electron energies of 0.7, 1.5 and 2.9 eV were measured. The relative DDCS at 0 o and 180 o are also presented as a function of the secondary electron energy, for incident electron energies 3 and 5 eV above threshold. Our measurements show that the distribution of the secondary electrons is, in contrast to electrons detected at 90 o , not flat for electrons departing at 0 o and 180 o at the present low primary energies. The yield of the faster secondary electrons is forward peaked, the yield of the slower secondary electrons is backward peaked. The sum of the 0 o and 180 o DDCS is, however, flat within the experimental uncertainty limits. (Author)

Space-partition method for the variance-based sensitivity analysis: Optimal partition scheme and comparative study

International Nuclear Information System (INIS)

Zhai, Qingqing; Yang, Jun; Zhao, Yu

2014-01-01

Variance-based sensitivity analysis has been widely studied and asserted itself among practitioners. Monte Carlo simulation methods are well developed in the calculation of variance-based sensitivity indices but they do not make full use of each model run. Recently, several works mentioned a scatter-plot partitioning method to estimate the variance-based sensitivity indices from given data, where a single bunch of samples is sufficient to estimate all the sensitivity indices. This paper focuses on the space-partition method in the estimation of variance-based sensitivity indices, and its convergence and other performances are investigated. Since the method heavily depends on the partition scheme, the influence of the partition scheme is discussed and the optimal partition scheme is proposed based on the minimized estimator's variance. A decomposition and integration procedure is proposed to improve the estimation quality for higher order sensitivity indices. The proposed space-partition method is compared with the more traditional method and test cases show that it outperforms the traditional one

PHOTOSYNTHATE PARTITIONING IN TOMATO LEAVES AS AFFECTED BY TEMPERATURE

NARCIS (Netherlands)

VANDERKOOIJ, TAW; BRUGGEMANN, W; VANHASSELT, PR

1992-01-01

Temperature dependence of photosynthate partitioning in intact leaf tissue of tomato (Lycopersicon esculentum Mill. cv. Abunda) was studied by using a temperature gradient cuvette system. At the low photon flux density (PFD, 85 mumol m-2 s-1) and saturated CO2 concentration, the total saccharides

Monotonicity Conditions for Multirate and Partitioned Explicit Runge-Kutta Schemes

KAUST Repository

Hundsdorfer, Willem

2013-01-01

Multirate schemes for conservation laws or convection-dominated problems seem to come in two flavors: schemes that are locally inconsistent, and schemes that lack mass-conservation. In this paper these two defects are discussed for one-dimensional conservation laws. Particular attention will be given to monotonicity properties of the multirate schemes, such as maximum principles and the total variation diminishing (TVD) property. The study of these properties will be done within the framework of partitioned Runge-Kutta methods. It will also be seen that the incompatibility of consistency and mass-conservation holds for ‘genuine’ multirate schemes, but not for general partitioned methods.

Energy budgets and resistances to energy transport in sparsely vegetated rangeland

Science.gov (United States)

Nichols, W.D.

1992-01-01

Partitioning available energy between plants and bare soil in sparsely vegetated rangelands will allow hydrologists and others to gain a greater understanding of water use by native vegetation, especially phreatophytes. Standard methods of conducting energy budget studies result in measurements of latent and sensible heat fluxes above the plant canopy which therefore include the energy fluxes from both the canopy and the soil. One-dimensional theoretical numerical models have been proposed recently for the partitioning of energy in sparse crops. Bowen ratio and other micrometeorological data collected over phreatophytes growing in areas of shallow ground water in central Nevada were used to evaluate the feasibility of using these models, which are based on surface and within-canopy aerodynamic resistances, to determine heat and water vapor transport in sparsely vegetated rangelands. The models appear to provide reasonably good estimates of sensible heat flux from the soil and latent heat flux from the canopy. Estimates of latent heat flux from the soil were less satisfactory. Sensible heat flux from the canopy was not well predicted by the present resistance formulations. Also, estimates of total above-canopy fluxes were not satisfactory when using a single value for above-canopy bulk aerodynamic resistance. ?? 1992.

The prediction of blood-tissue partitions, water-skin partitions and skin permeation for agrochemicals.

Science.gov (United States)

Abraham, Michael H; Gola, Joelle M R; Ibrahim, Adam; Acree, William E; Liu, Xiangli

2014-07-01

There is considerable interest in the blood-tissue distribution of agrochemicals, and a number of researchers have developed experimental methods for in vitro distribution. These methods involve the determination of saline-blood and saline-tissue partitions; not only are they indirect, but they do not yield the required in vivo distribution. The authors set out equations for gas-tissue and blood-tissue distribution, for partition from water into skin and for permeation from water through human skin. Together with Abraham descriptors for the agrochemicals, these equations can be used to predict values for all of these processes. The present predictions compare favourably with experimental in vivo blood-tissue distribution where available. The predictions require no more than simple arithmetic. The present method represents a much easier and much more economic way of estimating blood-tissue partitions than the method that uses saline-blood and saline-tissue partitions. It has the added advantages of yielding the required in vivo partitions and being easily extended to the prediction of partition of agrochemicals from water into skin and permeation from water through skin. © 2013 Society of Chemical Industry.

Estimating the Partition Function Zeros by Using the Wang-Landau Monte Carlo Algorithm

Energy Technology Data Exchange (ETDEWEB)

Kim, Seung-Yeon [Korea National University of Transportation, Chungju (Korea, Republic of)

2017-03-15

The concept of the partition function zeros is one of the most efficient methods for investigating the phase transitions and the critical phenomena in various physical systems. Estimating the partition function zeros requires information on the density of states Ω(E) as a function of the energy E. Currently, the Wang-Landau Monte Carlo algorithm is one of the best methods for calculating Ω(E). The partition function zeros in the complex temperature plane of the Ising model on an L × L square lattice (L = 10 ∼ 80) with a periodic boundary condition have been estimated by using the Wang-Landau Monte Carlo algorithm. The efficiency of the Wang-Landau Monte Carlo algorithm and the accuracies of the partition function zeros have been evaluated for three different, 5%, 10%, and 20%, flatness criteria for the histogram H(E).

Subcellular partitioning of metals in Aporrectodea caliginosa along a gradient of metal exposure in 31 field-contaminated soils

Energy Technology Data Exchange (ETDEWEB)

Beaumelle, Léa [INRA, UR 251 PESSAC, 78026 Versailles Cedex (France); Gimbert, Frédéric [Laboratoire Chrono-Environnement, UMR 6249 University of Franche-Comté/CNRS Usc INRA, 16 route de Gray, 25030 Besançon Cedex (France); Hedde, Mickaël [INRA, UR 251 PESSAC, 78026 Versailles Cedex (France); Guérin, Annie [INRA, US 0010 LAS Laboratoire d' analyses des sols, 273 rue de Cambrai, 62000 Arras (France); Lamy, Isabelle, E-mail: lamy@versailles.inra.fr [INRA, UR 251 PESSAC, 78026 Versailles Cedex (France)

2015-07-01

Subcellular fractionation of metals in organisms was proposed as a better way to characterize metal bioaccumulation. Here we report the impact of a laboratory exposure to a wide range of field-metal contaminated soils on the subcellular partitioning of metals in the earthworm Aporrectodea caliginosa. Soils moderately contaminated were chosen to create a gradient of soil metal availability; covering ranges of both soil metal contents and of several soil parameters. Following exposure, Cd, Pb and Zn concentrations were determined both in total earthworm body and in three subcellular compartments: cytosolic, granular and debris fractions. Three distinct proxies of soil metal availability were investigated: CaCl{sub 2}-extractable content dissolved content predicted by a semi-mechanistic model and free ion concentration predicted by a geochemical speciation model. Subcellular partitionings of Cd and Pb were modified along the gradient of metal exposure, while stable Zn partitioning reflected regulation processes. Cd subcellular distribution responded more strongly to increasing soil Cd concentration than the total internal content, when Pb subcellular distribution and total internal content were similarly affected. Free ion concentrations were better descriptors of Cd and Pb subcellular distribution than CaCl{sub 2} extractable and dissolved metal concentrations. However, free ion concentrations and soil total metal contents were equivalent descriptors of the subcellular partitioning of Cd and Pb because they were highly correlated. Considering lowly contaminated soils, our results raise the question of the added value of three proxies of metal availability compared to soil total metal content in the assessment of metal bioavailability to earthworm. - Highlights: • Earthworms were exposed to a wide panel of historically contaminated soils • Subcellular partitioning of Cd, Pb and Zn was investigated in earthworms • Three proxies of soil metal availability were

Partitioning in P-T concept

International Nuclear Information System (INIS)

Zhang Peilu; Qi Zhanshun; Zhu Zhixuan

2000-01-01

Comparison of dry- and water-method for partitioning fission products and minor actinides from the spent fuels, and description of advance of dry-method were done. Partitioning process, some typical concept and some results of dry-method were described. The problems fond in dry-method up to now were pointed out. The partitioning study program was suggested

Collisions of polyatomic ions with surfaces: incident energy partitioning and chemical reactions

International Nuclear Information System (INIS)

Zabka, J.; Roithova, J.; Dolejsek, Z.; Herman, Z.

2002-01-01

Collision of polyatomic ions with surfaces were investigated in ion-surface scattering experiments to obtain more information on energy partitioning in ion-surface collision and on chemical reactions at surfaces. Mass spectra, translation energy and angular distributions of product ions were measured in dependence on the incident energy and the incident angle of polyatomic projectiles. From these data distributions of energy fractions resulting in internal excitation of the projectile, translation energy of the product ions, and energy absorbed by the surface were determined. The surface investigated were a standard stainless steel surface, covered by hydrocarbons, carbon surfaces at room and elevated temperatures, and several surfaces covered by a self-assembled monolayers (C 12 -hydrocarbon SAM, C 11 -perfluorohydrocarbon SAM, and C 11 hydrocarbon with terminal -COOH group SAM). The main processes observed at collision energies of 10 - 50 eV were: neutralization of the ions at surfaces, inelastic scattering and dissociations of the projectile ions, quasi elastic scattering of the projectile ions, and chemical reactions with the surface material (usually hydrogen-atom transfer reactions). The ion survival factor was estimated to be a few percent for even-electron ions (like protonated ethanol ion, C 2 H 5 O + , CD 5 + ) and about 10 - 10 2 times lower for radical ions (like ethanol and benzene molecular ions, CD 4 + ). In the polyatomic ion -surface energy transfer experiments, the ethanol molecular ion was used as a well-characterized projectile ion. The results with most of the surfaces studied showed in the collision energy range of 13 - 32 eV that most collisions were strongly inelastic with about 6 - 8 % of the incident projectile energy transformed into internal excitation of the projectile (independent of the incident angle) and led partially to its further dissociation in a unimolecular way after the interaction with the surface. The incident energy

Seasonal Evolution and Interannual Variability of the Local Solar Energy Absorbed by the Arctic Sea Ice-Ocean System

Science.gov (United States)

Perovich, Donald K.; Nghiem, Son V.; Markus, Thorsten; Schwieger, Axel

2007-01-01

The melt season of the Arctic sea ice cover is greatly affected by the partitioning of the incident solar radiation between reflection to the atmosphere and absorption in the ice and ocean. This partitioning exhibits a strong seasonal cycle and significant interannual variability. Data in the period 1998, 2000-2004 were analyzed in this study. Observations made during the 1997-1998 SHEBA (Surface HEat Budget of the Arctic Ocean) field experiment showed a strong seasonal dependence of the partitioning, dominated by a five-phase albedo evolution. QuikSCAT scatterometer data from the SHEBA region in 1999-2004 were used to further investigate solar partitioning in summer. The time series of scatterometer data were used to determine the onset of melt and the beginning of freezeup. This information was combined with SSM/I-derived ice concentration, TOVS-based estimates of incident solar irradiance, and SHEBA results to estimate the amount of solar energy absorbed in the ice-ocean system for these years. The average total solar energy absorbed in the ice-ocean system from April through September was 900 MJ m(sup -2). There was considerable interannual variability, with a range of 826 to 1044 MJ m(sup -2). The total amount of solar energy absorbed by the ice and ocean was strongly related to the date of melt onset, but only weakly related to the total duration of the melt season or the onset of freezeup. The timing of melt onset is significant because the incident solar energy is large and a change at this time propagates through the entire melt season, affecting the albedo every day throughout melt and freezeup.

Partitioning of fissile and radio-toxic materials from spent nuclear fuel

International Nuclear Information System (INIS)

Bychkov, A.V.; Skiba, O.V.; Kormilitsyn, M.V.

2007-01-01

these elements as fuel components, they could be involved in the recycling together with the main actinides, and they could be jointly extracted in the partitioning processes. It is also possible to design some special reactor systems for energy generation. For instance, Np, Am and Cm could be considered as fuel components for fast reactors. It would be possible to apply similar approaches even to the burning of uranium isotopes ( 232,234,236 U), which should be produced in a concentrated form during the re-enrichment. So the future development of innovative technologies should be directed from a complete reprocessing towards partitioning of fissile and radio-toxic materials from the spent nuclear fuel. The objectives of technology optimisation can be stated as follows: (1) reprocessing/partitioning with the view of non-proliferation, (2) partitioning with a minimal effect on the environment (3) partitioning using advanced economical methods. The criteria for the partitioning in future (after the year 2050) can be taken from the INPRO methodology. (authors)

Organic Carbon/Water and Dissolved Organic Carbon/Water Partitioning of Cyclic Volatile Methylsiloxanes: Measurements and Polyparameter Linear Free Energy Relationships.

Science.gov (United States)

Panagopoulos, Dimitri; Jahnke, Annika; Kierkegaard, Amelie; MacLeod, Matthew

2015-10-20

The sorption of cyclic volatile methyl siloxanes (cVMS) to organic matter has a strong influence on their fate in the aquatic environment. We report new measurements of the partition ratios between freshwater sediment organic carbon and water (KOC) and between Aldrich humic acid dissolved organic carbon and water (KDOC) for three cVMS, and for three polychlorinated biphenyls (PCBs) that were used as reference chemicals. Our measurements were made using a purge-and-trap method that employs benchmark chemicals to calibrate mass transfer at the air/water interface in a fugacity-based multimedia model. The measured log KOC of octamethylcyclotetrasiloxane (D4), decamethylcyclopentasiloxane (D5), and dodecamethylcyclohexasiloxane (D6) were 5.06, 6.12, and 7.07, and log KDOC were 5.05, 6.13, and 6.79. To our knowledge, our measurements for KOC of D6 and KDOC of D4 and D6 are the first reported. Polyparameter linear free energy relationships (PP-LFERs) derived from training sets of empirical data that did not include cVMS generally did not predict our measured partition ratios of cVMS accurately (root-mean-squared-error (RMSE) for logKOC 0.76 and for logKDOC 0.73). We constructed new PP-LFERs that accurately describe partition ratios for the cVMS as well as for other chemicals by including our new measurements in the existing training sets (logKOC RMSEcVMS: 0.09, logKDOC RMSEcVMS: 0.12). The PP-LFERs we have developed here should be further evaluated and perhaps recalibrated when experimental data for other siloxanes become available.

Partitioning planning studies: Preliminary evaluation of metal and radionuclide partitioning the high-temperature thermal treatment systems

International Nuclear Information System (INIS)

Liekhus, K.; Grandy, J.; Chambers, A.

1997-03-01

A preliminary study of toxic metals and radionuclide partitioning during high-temperature processing of mixed waste has been conducted during Fiscal Year 1996 within the Environmental Management Technology Evaluation Project. The study included: (a) identification of relevant partitioning mechanisms that cause feed material to be distributed between the solid, molten, and gas phases within a thermal treatment system; (b) evaluations of existing test data from applicable demonstration test programs as a means to identify and understand elemental and species partitioning; and, (c) evaluation of theoretical or empirical partitioning models for use in predicting elemental or species partitioning in a thermal treatment system. This preliminary study was conducted to identify the need for and the viability of developing the tools capable of describing and predicting toxic metals and radionuclide partitioning in the most applicable mixed waste thermal treatment processes. This document presents the results and recommendations resulting from this study that may serve as an impetus for developing and implementing these predictive tools

Partitioning planning studies: Preliminary evaluation of metal and radionuclide partitioning the high-temperature thermal treatment systems

Energy Technology Data Exchange (ETDEWEB)

Liekhus, K.; Grandy, J.; Chambers, A. [and others

1997-03-01

A preliminary study of toxic metals and radionuclide partitioning during high-temperature processing of mixed waste has been conducted during Fiscal Year 1996 within the Environmental Management Technology Evaluation Project. The study included: (a) identification of relevant partitioning mechanisms that cause feed material to be distributed between the solid, molten, and gas phases within a thermal treatment system; (b) evaluations of existing test data from applicable demonstration test programs as a means to identify and understand elemental and species partitioning; and, (c) evaluation of theoretical or empirical partitioning models for use in predicting elemental or species partitioning in a thermal treatment system. This preliminary study was conducted to identify the need for and the viability of developing the tools capable of describing and predicting toxic metals and radionuclide partitioning in the most applicable mixed waste thermal treatment processes. This document presents the results and recommendations resulting from this study that may serve as an impetus for developing and implementing these predictive tools.

Dynamic Load Balancing for PIC code using Eulerian/Lagrangian partitioning

OpenAIRE

Sauget, Marc; Latu, Guillaume

2017-01-01

This document presents an analysis of different load balance strategies for a Plasma physics code that models high energy particle beams with PIC method. A comparison of different load balancing algorithms is given: static or dynamic ones. Lagrangian and Eulerian partitioning techniques have been investigated.

Partitioning and transmutation (P and T) 1997. Status report

International Nuclear Information System (INIS)

Enarsson, Aasa; Landgren, A.; Liljenzin, J.O.; Skaalberg, M.; Spjuth, L.; Gudowski, W.; Wallenius, J.

1998-05-01

Research on and the evaluation of partitioning and transmutation are currently in progress in many industrial countries due to its potential as a long-term, sustainable energy source with low environmental impact and due to its ability to destroy many long-lived nuclides. The cost of the research and development work on partitioning and transmutation is considered to be so great that international co-operation is required. With respect to Sweden, we recommend a balanced research work on both partitioning and transmutation technology. Within the area of partitioning, it is above all a question of locating new reagents which can be used to simplify the necessary partitioning processes and minimize the losses. The requirements with respect to high selectivity and minor losses will be significantly higher in a recirculating system based on transmutation than in the reprocessing facilities of today where only uranium and plutonium are recovered. If the utilized reagents can be easily destroyed, by dry or wet incineration and conversion into non-complex gaseous chemical compounds, this will open up good opportunities for the recovery of the radionuclides. From a purely technical standpoint, it would seem that a combination of different types of reactor systems would give the best possible transmutation efficiency. While existing light water reactors can be utilized for increased plutonium incineration, there is currently consensus about the view that reactors with high-energy neutrons are necessary to achieve a sufficiently high transmutation efficiency for neptunium, americium, curium and certain fission products. By allowing an accelerator-based neutron source to drive a subcritical heavy metal-cooled reactor, the potential for transmutation of fission products is increased, at the same time that satisfactory safety margins are achieved for certain fuel types with a low share of delayed neutrons and a high heat conductivity. Regardless of what types of systems are

Partitioning and transmutation (P and T) 1997. Status report

Energy Technology Data Exchange (ETDEWEB)

Enarsson, Aasa; Landgren, A.; Liljenzin, J.O.; Skaalberg, M.; Spjuth, L. [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Nuclear Chemistry; Gudowski, W.; Wallenius, J. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Nuclear and Reactor Physics

1998-05-01

Research on and the evaluation of partitioning and transmutation are currently in progress in many industrial countries due to its potential as a long-term, sustainable energy source with low environmental impact and due to its ability to destroy many long-lived nuclides. The cost of the research and development work on partitioning and transmutation is considered to be so great that international co-operation is required. With respect to Sweden, we recommend a balanced research work on both partitioning and transmutation technology. Within the area of partitioning, it is above all a question of locating new reagents which can be used to simplify the necessary partitioning processes and minimize the losses. The requirements with respect to high selectivity and minor losses will be significantly higher in a recirculating system based on transmutation than in the reprocessing facilities of today where only uranium and plutonium are recovered. If the utilized reagents can be easily destroyed, by dry or wet incineration and conversion into non-complex gaseous chemical compounds, this will open up good opportunities for the recovery of the radionuclides. From a purely technical standpoint, it would seem that a combination of different types of reactor systems would give the best possible transmutation efficiency. While existing light water reactors can be utilized for increased plutonium incineration, there is currently consensus about the view that reactors with high-energy neutrons are necessary to achieve a sufficiently high transmutation efficiency for neptunium, americium, curium and certain fission products. By allowing an accelerator-based neutron source to drive a subcritical heavy metal-cooled reactor, the potential for transmutation of fission products is increased, at the same time that satisfactory safety margins are achieved for certain fuel types with a low share of delayed neutrons and a high heat conductivity. Regardless of what types of systems are

A partitioning-free transmutation concept of nuclear waste reduction

International Nuclear Information System (INIS)

Taczanowski, S.

1996-01-01

The idea of a symbiotic nuclear energy system, consisted of an Accelerator-driven Fuel Regenerator and a number of LWRs serviced by it, is the subject of this study, in view of supposed safety and partitioning avoidance advantages. The design premises leading to this concept are widely discussed. 7 refs, 7 figs

The Euler–Riemann gases, and partition identities

International Nuclear Information System (INIS)

Chair, Noureddine

2013-01-01

The Euler theorem in partition theory and its generalization are derived from a non-interacting quantum field theory in which each bosonic mode with a given frequency is equivalent to a sum of bosonic mode whose frequency is twice (s-times) as much, and a fermionic (parafermionic) mode with the same frequency. Explicit formulas for the graded parafermionic partition functions are obtained, and the inverse of the graded partition function (IGPPF), turns out to be bosonic (fermionic) partition function depending on the parity of the order s of the parafermions. It is also shown that these partition functions are generating functions of partitions of integers with restrictions, the Euler generating function is identified with the inverse of the graded parafermionic partition function of order 2. As a result we obtain new sequences of partitions of integers with given restrictions. If the parity of the order s is even, then mixing a system of parafermions with a system whose partition function is (IGPPF), results in a system of fermions and bosons. On the other hand, if the parity of s is odd, then, the system we obtain is still a mixture of fermions and bosons but the corresponding Fock space of states is truncated. It turns out that these partition functions are given in terms of the Jacobi theta function θ 4 , and generate sequences in partition theory. Our partition functions coincide with the overpartitions of Corteel and Lovejoy, and jagged partitions in conformal field theory. Also, the partition functions obtained are related to the Ramond characters of the superconformal minimal models, and in the counting of the Moore–Read edge spectra that appear in the fractional quantum Hall effect. The different partition functions for the Riemann gas that are the counter parts of the Euler gas are obtained by a simple change of variables. In particular the counter part of the Jacobi theta function is (ζ(2t))/(ζ(t) 2 ) . Finally, we propose two formulas which brings

Hawk: A Runtime System for Partitioned Objects

NARCIS (Netherlands)

Ben Hassen, S.; Bal, H.E.; Tanenbaum, A.S.

1997-01-01

Hawk is a language-independent runtime system for writing data-parallel programs using partitioned objects. A partitioned object is a multidimensional array of elements that can be partitioned and distributed by the programmer. The Hawk runtime system uses the user-defined partitioning of objects

[On the partition of acupuncture academic schools].

Science.gov (United States)

Yang, Pengyan; Luo, Xi; Xia, Youbing

2016-05-01

Nowadays extensive attention has been paid on the research of acupuncture academic schools, however, a widely accepted method of partition of acupuncture academic schools is still in need. In this paper, the methods of partition of acupuncture academic schools in the history have been arranged, and three typical methods of"partition of five schools" "partition of eighteen schools" and "two-stage based partition" are summarized. After adeep analysis on the disadvantages and advantages of these three methods, a new method of partition of acupuncture academic schools that is called "three-stage based partition" is proposed. In this method, after the overall acupuncture academic schools are divided into an ancient stage, a modern stage and a contemporary stage, each schoolis divided into its sub-school category. It is believed that this method of partition can remedy the weaknesses ofcurrent methods, but also explore a new model of inheritance and development under a different aspect through thedifferentiation and interaction of acupuncture academic schools at three stages.

Use of JANAF Tables in Equilibrium Calculations and Partition Function Calculations for an Undergraduate Physical Chemistry Course

Science.gov (United States)

Cleary, David A.

2014-01-01

The usefulness of the JANAF tables is demonstrated with specific equilibrium calculations. An emphasis is placed on the nature of standard chemical potential calculations. Also, the use of the JANAF tables for calculating partition functions is examined. In the partition function calculations, the importance of the zero of energy is highlighted.

Total energy calculations and bonding at interfaces

International Nuclear Information System (INIS)

Louie, S.G.

1984-08-01

Some of the concepts and theoretical techniques employed in recent ab initio studies of the electronic and structural properties of surfaces and interfaces are discussed. Results of total energy calculations for the 2 x 1 reconstructed diamond (111) surface and for stacking faults in Si are reviewed. 30 refs., 8 figs

Canopy sink-source partitioning influences root/soil respiration in apple

Science.gov (United States)

The root system of plants derives all its energy from photosynthate translocated from the canopy to the root system. Canopy manipulations that alter either the rate of canopy photosynthesis or the translocation of photosynthate are expected to alter dry matter partitioning to the root system. Fiel...

Analysis of load balance in hybrid partitioning | Talib | Botswana ...

African Journals Online (AJOL)

In information retrieval systems, there are three types of index partitioning schemes - term partitioning, document partitioning, and hybrid partitioning. The hybrid-partitioning scheme combines both term and document partitioning schemes. Term partitioning provides high concurrency, which means that queries can be ...

Poynting Theorem, Relativistic Transformation of Total Energy-Momentum and Electromagnetic Energy-Momentum Tensor

Science.gov (United States)

Kholmetskii, Alexander; Missevitch, Oleg; Yarman, Tolga

2016-02-01

We address to the Poynting theorem for the bound (velocity-dependent) electromagnetic field, and demonstrate that the standard expressions for the electromagnetic energy flux and related field momentum, in general, come into the contradiction with the relativistic transformation of four-vector of total energy-momentum. We show that this inconsistency stems from the incorrect application of Poynting theorem to a system of discrete point-like charges, when the terms of self-interaction in the product {\\varvec{j}} \\cdot {\\varvec{E}} (where the current density {\\varvec{j}} and bound electric field {\\varvec{E}} are generated by the same source charge) are exogenously omitted. Implementing a transformation of the Poynting theorem to the form, where the terms of self-interaction are eliminated via Maxwell equations and vector calculus in a mathematically rigorous way (Kholmetskii et al., Phys Scr 83:055406, 2011), we obtained a novel expression for field momentum, which is fully compatible with the Lorentz transformation for total energy-momentum. The results obtained are discussed along with the novel expression for the electromagnetic energy-momentum tensor.

Regulation of assimilate partitioning by daylength and spectral quality

Energy Technology Data Exchange (ETDEWEB)

Britz, S.J. [USDA-Climate Stress Lab., Beltsville, MD (United States)

1994-12-31

Photosynthesis is the process by which plants utilize light energy to assimilate and transform carbon dioxide into products that support growth and development. The preceding review provides an excellent summary of photosynthetic mechanisms and diurnal patterns of carbon metabolism with emphasis on the importance of gradual changes in photosynthetically-active radiation at dawn and dusk. In addition to these direct effects of irradiance, there are indirect effects of light period duration and spectral quality on carbohydrate metabolism and assimilate partitioning. Both daylength and spectral quality trigger developmental phenomena such as flowering (e.g., photoperiodism) and shade avoidance responses, but their effects on partitioning of photoassimilates in leaves are less well known. Moreover, the adaptive significance to the plants of such effects is sometimes not clear.

Modelling Chemical Equilibrium Partitioning with the GEMS-PSI Code

Energy Technology Data Exchange (ETDEWEB)

Kulik, D.; Berner, U.; Curti, E

2004-03-01

Sorption, co-precipitation and re-crystallisation are important retention processes for dissolved contaminants (radionuclides) migrating through the sub-surface. The retention of elements is usually measured by empirical partition coefficients (Kd), which vary in response to many factors: temperature, solid/liquid ratio, total contaminant loading, water composition, host-mineral composition, etc. The Kd values can be predicted for in-situ conditions from thermodynamic modelling of solid solution, aqueous solution or sorption equilibria, provided that stoichiometry, thermodynamic stability and mixing properties of the pure components are known (Example 1). Unknown thermodynamic properties can be retrieved from experimental Kd values using inverse modelling techniques (Example 2). An efficient, advanced tool for performing both tasks is the Gibbs Energy Minimization (GEM) approach, implemented in the user-friendly GEM-Selector (GEMS) program package, which includes the Nagra-PSI chemical thermodynamic database. The package is being further developed at PSI and used extensively in studies relating to nuclear waste disposal. (author)

Modelling Chemical Equilibrium Partitioning with the GEMS-PSI Code

International Nuclear Information System (INIS)

Kulik, D.; Berner, U.; Curti, E.

2004-01-01

Sorption, co-precipitation and re-crystallisation are important retention processes for dissolved contaminants (radionuclides) migrating through the sub-surface. The retention of elements is usually measured by empirical partition coefficients (Kd), which vary in response to many factors: temperature, solid/liquid ratio, total contaminant loading, water composition, host-mineral composition, etc. The Kd values can be predicted for in-situ conditions from thermodynamic modelling of solid solution, aqueous solution or sorption equilibria, provided that stoichiometry, thermodynamic stability and mixing properties of the pure components are known (Example 1). Unknown thermodynamic properties can be retrieved from experimental Kd values using inverse modelling techniques (Example 2). An efficient, advanced tool for performing both tasks is the Gibbs Energy Minimization (GEM) approach, implemented in the user-friendly GEM-Selector (GEMS) program package, which includes the Nagra-PSI chemical thermodynamic database. The package is being further developed at PSI and used extensively in studies relating to nuclear waste disposal. (author)

Sound intensity as a function of sound insulation partition

OpenAIRE

Cvetkovic , S.; Prascevic , R.

1994-01-01

In the modern engineering practice, the sound insulation of the partitions is the synthesis of the theory and of the experience acquired in the procedure of the field and of the laboratory measurement. The science and research public treat the sound insulation in the context of the emission and propagation of the acoustic energy in the media with the different acoustics impedance. In this paper, starting from the essence of physical concept of the intensity as the energy vector, the authors g...

Energy-analysis of the total nuclear energy cycle based on light water reactors

International Nuclear Information System (INIS)

Kistemaker, J.

1975-01-01

The energy economy of the total nuclear energy cycle is investigated. Attention is paid to the importance of fossil fuel saving by using nuclear energy. The energy analysis is based on the construction and operation of power plants with an electric output of 1000MWe. Light water moderated reactors with a 2.7 - 3.2% enriched uranium core are considered. Additionally, the whole fuel cycle including ore winning and refining, enrichment and fuel element manufacturing and reprocessing has been taken into account. Neither radioactive waste storage problems nor safety problems related to the nuclear energy cycle and safeguarding have been dealt with, as exhaustive treatments can be found elswhere

Partitioning sparse rectangular matrices for parallel processing

Energy Technology Data Exchange (ETDEWEB)

Kolda, T.G.

1998-05-01

The authors are interested in partitioning sparse rectangular matrices for parallel processing. The partitioning problem has been well-studied in the square symmetric case, but the rectangular problem has received very little attention. They will formalize the rectangular matrix partitioning problem and discuss several methods for solving it. They will extend the spectral partitioning method for symmetric matrices to the rectangular case and compare this method to three new methods -- the alternating partitioning method and two hybrid methods. The hybrid methods will be shown to be best.

A brief history of partitions of numbers, partition functions and their modern applications

Science.gov (United States)

Debnath, Lokenath

2016-04-01

'Number rules the universe.' The Pythagoras 'If you wish to forsee the future of mathematics our course is to study the history and present conditions of the science.' Henri Poincaré 'The primary source (Urqell) of all mathematics are integers.' Hermann Minkowski This paper is written to commemorate the centennial anniversary of the Mathematical Association of America. It deals with a short history of different kinds of natural numbers including triangular, square, pentagonal, hexagonal and k-gonal numbers, and their simple properties and their geometrical representations. Included are Euclid's and Pythagorean's main contributions to elementary number theory with the main contents of the Euclid Elements of the 13-volume masterpiece of mathematical work. This is followed by Euler's new discovery of the additive number theory based on partitions of numbers. Special attention is given to many examples, Euler's theorems on partitions of numbers with geometrical representations of Ferrers' graphs, Young's diagrams, Lagrange's four-square theorem and the celebrated Waring problem. Included are Euler's generating functions for the partitions of numbers, Euler's pentagonal number theorem, Gauss' triangular and square number theorems and the Jacobi triple product identity. Applications of the theory of partitions of numbers to different statistics such as the Bose- Einstein, Fermi- Dirac, Gentile, and Maxwell- Boltzmann statistics are briefly discussed. Special attention is given to pedagogical information through historical approach to number theory so that students and teachers at the school, college and university levels can become familiar with the basic concepts of partitions of numbers, partition functions and their modern applications, and can pursue advanced study and research in analytical and computational number theory.

Atmospheric occurrence, transport and gas-particle partitioning of polychlorinated biphenyls over the northwestern Pacific Ocean

Science.gov (United States)

Wu, Zilan; Lin, Tian; Li, Zhongxia; Li, Yuanyuan; Guo, Tianfeng; Guo, Zhigang

2017-10-01

Ship-board air samples were collected during March to May 2015 from the East China Sea (ECS) to the northwestern Pacific Ocean (NWP) to explore the atmospheric occurrence and gas-particle partitioning of polychlorinated biphenyls (PCBs) when the westerly East Asian Monsoon prevailed. Total PCB concentrations in the atmosphere ranged from 56.8 to 261 pg m-3. Higher PCB levels were observed off the coast and minor temperature-induced changes showed that continuous emissions from East Asia remain as an important source to the regional atmosphere. A significant relationship between Koa (octanol-air partition coefficient) and KP (gas-particle partition coefficient) for PCBs was observed under continental air masses, suggesting that land-derived organic aerosols affected the PCB gas-particle partitioning after long-range transport, while an absence of this correlation was identified in marine air masses. The PCB partitioning cannot be fully explained by the absorptive mechanism as the predicted KP were found to be 2-3 orders of magnitude lower than the measured Kp, while the prediction was closely matched when soot adsorption was considered. The results suggested the importance of soot carbon as a transport medium for PCBs during their long-range transport and considerable impacts of continental outflows on PCBs across the downwind area. The estimated transport mass of particulate PCBs into the ECS and NWP totals 2333 kg during the spring, constituting ca. 17% of annual emission inventories of unintentionally produced PCB in China.

Superfluid Kubo formulas from partition function

International Nuclear Information System (INIS)

Chapman, Shira; Hoyos, Carlos; Oz, Yaron

2014-01-01

Linear response theory relates hydrodynamic transport coefficients to equilibrium retarded correlation functions of the stress-energy tensor and global symmetry currents in terms of Kubo formulas. Some of these transport coefficients are non-dissipative and affect the fluid dynamics at equilibrium. We present an algebraic framework for deriving Kubo formulas for such thermal transport coefficients by using the equilibrium partition function. We use the framework to derive Kubo formulas for all such transport coefficients of superfluids, as well as to rederive Kubo formulas for various normal fluid systems

Biomass energy in Jordan, and its potential contribution towards the total energy mix of the Kingdom

International Nuclear Information System (INIS)

Al-Dabbas, Moh'd A. F.

1994-04-01

An evaluation of Jordan's bio-energy status was carried out. Available sources and the viability of exploitation were studied in order to identify the size of contribution that bio-energy could provide to the total energy mix of the Kingdom. The advantages of biogas technology were discussed, and a general description of Jordan's experience in this field was presented. Data on Jordan' animal, municipal, and agricultural wastes that are available as a potential source of bio-energy was tabulated. The report ascertained the economic feasibility of biogas utilization in Jordan, and concluded that the annual energy production potential from biogas, with only animal wastes being utilized, would amount to 80,000 ton oil equivalent. This amount of energy is equivalent to 2% of Jordan's total energy consumption in 1992. The utilization of biogas from municipal wastes would produce an additional 2.5% of the total energy consumption of Jordan. The annual value of utilizing animal and municipal wastes would reach 23 million Jordanian Dinars (JD). This value would increase to 61.5 million JD with the utilization of human wastes. The investment required for the utilization of bio-energy sources in Amman and its suburbs on the scale of family unit fermenters was estimated to be in the order of a million JD. The size of investment for industrial scale utilization for power generation with an electricity feed to the national grid, would range from 3 to 4 million JD. (A.M.H.). 8 refs., 4 tabs

Hypothalamic AgRP-neurons control peripheral substrate utilization and nutrient partitioning

Science.gov (United States)

Joly-Amado, Aurélie; Denis, Raphaël G P; Castel, Julien; Lacombe, Amélie; Cansell, Céline; Rouch, Claude; Kassis, Nadim; Dairou, Julien; Cani, Patrice D; Ventura-Clapier, Renée; Prola, Alexandre; Flamment, Melissa; Foufelle, Fabienne; Magnan, Christophe; Luquet, Serge

2012-01-01

Obesity-related diseases such as diabetes and dyslipidemia result from metabolic alterations including the defective conversion, storage and utilization of nutrients, but the central mechanisms that regulate this process of nutrient partitioning remain elusive. As positive regulators of feeding behaviour, agouti-related protein (AgRP) producing neurons are indispensible for the hypothalamic integration of energy balance. Here, we demonstrate a role for AgRP-neurons in the control of nutrient partitioning. We report that ablation of AgRP-neurons leads to a change in autonomic output onto liver, muscle and pancreas affecting the relative balance between lipids and carbohydrates metabolism. As a consequence, mice lacking AgRP-neurons become obese and hyperinsulinemic on regular chow but display reduced body weight gain and paradoxical improvement in glucose tolerance on high-fat diet. These results provide a direct demonstration of a role for AgRP-neurons in the coordination of efferent organ activity and nutrient partitioning, providing a mechanistic link between obesity and obesity-related disorders. PMID:22990237

On structure-property relationship in nanostructured bainitic steel subjected to the quenching and partitioning process

Energy Technology Data Exchange (ETDEWEB)

Luo, Ping [Material Science & Engineering Research Center, School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University, Beijing 100044 (China); Gao, Guhui, E-mail: gaogh@bjtu.edu.cn [Material Science & Engineering Research Center, School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University, Beijing 100044 (China); Zhang, Han [Max-Planck-Institut für Eisenforschung, Max-Planck-Str. 1, 40237 Düsseldorf (Germany); Tan, Zhunli [Material Science & Engineering Research Center, School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University, Beijing 100044 (China); Misra, R.DK. [Laboratory for Excellence in Advanced Steel Research, Department of Metallurgical, Materials and Biomedical Engineering, University of Texas at El Paso, TX 79968-0520 (United States); Bai, Bingzhe [Material Science & Engineering Research Center, School of Mechanical, Electronic and Control Engineering, Beijing Jiaotong University, Beijing 100044 (China); Tsinghua University, Key Laboratory of Advanced Material, School of Material Science and Engineering, Beijing 100084 (China)

2016-04-20

We elucidate here the mechanistic contribution of the application of quenching and partitioning (Q&P) concept to a high carbon Mn-Si-Cr steel in obtaining a multiphase microstructure comprising of martensite/austenite and nanostructured bainite (bainitic ferrite and nanometer-sized film-like retained austenite) that exhibited tensile strength of 1923 MPa and total elongation of 18.3%. The excellent mechanical properties are attributed to the enhanced refinement of blocky austenite islands obtained by the Q&P process. The austenite was stabilized by both carbon partitioning from martensite and bainite transformation. Compared with conventional heat treatment to produce nanostructured bainite, the total time is significantly reduced without degradation of mechanical properties.

Partitioning and transmutation: Radioactive waste management option

International Nuclear Information System (INIS)

Stanculescu, A.

2005-01-01

Growing world population with increasing energy needs, especially in the developing countries, Threat of global warming due to CO 2 emissions demands non-fossil electricity production. Nuclear will have to be part of a sustainable mix of energy production options Figures show that 350 GWe worldwide capacity is 'nuclear'. Present worldwide spent fuel (containing high Pu inventory) and HLW would need large repositories. In view of the previous facts this lecture deals Partitioning and transmutation as radioactive waste management option. Partitioning and transmutation (P and T) is a complex technology i.e. advanced reprocessing, and demand transuranics fuel fabrication plants, as well as innovative and/or dedicated transmutation reactors. In addition to U, Pu, and 129 I, 'partitioning' extracts from the liquid high level waste the minor actinides (MA) and the long-lived fission products (LLFP) 99-Tc, 93-Zr, 135-Cs, 107-Pd, and 79-Se). 'Transmutation' requires fully new fuel fabrication plants and reactor technologies to be developed and implemented on industrial scale. Present LWRs are not suited for MA and LLFP transmutation (safety consideration, plant operation, poor incineration capability). Only specially licensed LWRs can cope with MOX fuel; for increased Pu loadings (up to 100%), special reactor designs (e.g., ABB80+) are required; a combination of these reactor types could allow Pu inventory stabilization. Long-term waste radiotoxicity can be effectively reduced only if transuranics are 'incinerated' through fission with very hard neutron spectra. New reactor concepts (dedicated fast reactors, Accelerator Driven Systems (ADS), fusion/fission hybrid reactors) have been proposed as transmuters/incinerators. Significant Pu+MAs incineration rates can be achieved in symbiotic scenarios: LWR-MOX and dedicated fast reactors; fast neutron spectrum ADS mainly for MA incineration; very high thermal flux ADS concepts could also provide a significant transuranics

Further insight into the mechanism of heavy metals partitioning in stormwater runoff.

Science.gov (United States)

Djukić, Aleksandar; Lekić, Branislava; Rajaković-Ognjanović, Vladana; Veljović, Djordje; Vulić, Tatjana; Djolić, Maja; Naunovic, Zorana; Despotović, Jovan; Prodanović, Dušan

2016-03-01

Various particles and materials, including pollutants, deposited on urban surfaces are washed off by stormwater runoff during rain events. The interactions between the solid and dissolved compounds in stormwater runoff are phenomena of importance for the selection and improvement of optimal stormwater management practices aimed at minimizing pollutant input to receiving waters. The objective of this research was to further investigate the mechanisms responsible for the partitioning of heavy metals (HM) between the solid and liquid phases in urban stormwater runoff. The research involved the collection of samples from urban asphalt surfaces, chemical characterization of the bulk liquid samples, solids separation, particle size distribution fractionation and chemical and physico-chemical characterization of the solid phase particles. The results revealed that a negligible fraction of HM was present in the liquid phase (less than 3% by weight), while there was a strong correlation between the total content of heavy metals and total suspended solids. Examinations of surface morphology and mineralogy revealed that the solid phase particles consist predominantly of natural macroporous materials: alpha quartz (80%), magnetite (11.4%) and silicon diphosphate (8.9%). These materials have a low surface area and do not have significant adsorptive capacity. These materials have a low surface area and do not have significant adsorptive capacity. The presence of HM on the surface of solid particles was not confirmed by scanning electron microscopy and energy dispersive X-ray microanalyses. These findings, along with the results of the liquid phase sample characterization, indicate that the partitioning of HM between the liquid and solid phases in the analyzed samples may be attributed to precipitation processes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

Science.gov (United States)

Irwin, Benedict W J; Huggins, David J

2018-05-08

We present a general method called atom-wise free energy perturbation (AFEP), which extends a conventional molecular dynamics free energy perturbation (FEP) simulation to give the contribution to a free energy change from each atom. AFEP is derived from an expansion of the Zwanzig equation used in the exponential averaging method by defining that the system total energy can be partitioned into contributions from each atom. A partitioning method is assumed and used to group terms in the expansion to correspond to individual atoms. AFEP is applied to six example free energy changes to demonstrate the method. Firstly, the hydration free energies of methane, methanol, methylamine, methanethiol, and caffeine in water. AFEP highlights the atoms in the molecules that interact favorably or unfavorably with water. Finally AFEP is applied to the binding free energy of human immunodeficiency virus type 1 protease to lopinavir, and AFEP reveals the contribution of each atom to the binding free energy, indicating candidate areas of the molecule to improve to produce a more strongly binding inhibitor. FEP gives a single value for the free energy change and is already a very useful method. AFEP gives a free energy change for each "part" of the system being simulated, where part can mean individual atoms, chemical groups, amino acids, or larger partitions depending on what the user is trying to measure. This method should have various applications in molecular dynamics studies of physical, chemical, or biochemical phenomena, specifically in the field of computational drug discovery.

Development of partitioning method : cold experiment with partitioning test facility in NUCEF (I)

International Nuclear Information System (INIS)

Yamaguchi, Isoo; Morita, Yasuji; Kondo, Yasuo

1996-03-01

A test facility in which about 1.85 x 10 14 Bq of high-level liquid waste can be treated has been completed in 1994 at Nuclear Fuel Cycle Safety Engineering Research Facility (NUCEF) for research and development of Partitioning Method. The outline of the partitioning test facility and support equipments for it which were design terms, constructions, arrangements, functions and inspections were given in JAERI-Tech 94-030. The present report describes the results of the water transfer test and partitioning tests, which are methods of precipitation by denitration, oxalate precipitation, solvent extraction, and adsorption with inorganic ion exchanger, using nitric acid to master operation method of the test facility. As often as issues related to equipments occurred during the tests, they were improved. As to issues related to processes such as being stopped up of columns, their measures of solution were found by testing in laboratories. They were reflected in operation of the Partitioning Test Facility. Their particulars and improving points were described in this report. (author)

Purification of biomaterials by phase partitioning

Science.gov (United States)

Harris, J. M.

1984-01-01

A technique which is particularly suited to microgravity environments and which is potentially more powerful than electrophoresis is phase partitioning. Phase partitioning is purification by partitioning between the two immiscible aqueous layers formed by solution of the polymers poly(ethylene glycol) and dextran in water. This technique proved to be very useful for separations in one-g but is limited for cells because the cells are more dense than the phase solutions thus tend to sediment to the bottom of the container before reaching equilibrium with the preferred phase. There are three phases to work in this area: synthesis of new polymers for affinity phase partitioning; development of automated apparatus for ground-based separations; and design of apparatus for performing simple phase partitioning space experiments, including examination of mechanisms for separating phases in the absence of gravity.

Betweenness-based algorithm for a partition scale-free graph

International Nuclear Information System (INIS)

Zhang Bai-Da; Wu Jun-Jie; Zhou Jing; Tang Yu-Hua

2011-01-01

Many real-world networks are found to be scale-free. However, graph partition technology, as a technology capable of parallel computing, performs poorly when scale-free graphs are provided. The reason for this is that traditional partitioning algorithms are designed for random networks and regular networks, rather than for scale-free networks. Multilevel graph-partitioning algorithms are currently considered to be the state of the art and are used extensively. In this paper, we analyse the reasons why traditional multilevel graph-partitioning algorithms perform poorly and present a new multilevel graph-partitioning paradigm, top down partitioning, which derives its name from the comparison with the traditional bottom—up partitioning. A new multilevel partitioning algorithm, named betweenness-based partitioning algorithm, is also presented as an implementation of top—down partitioning paradigm. An experimental evaluation of seven different real-world scale-free networks shows that the betweenness-based partitioning algorithm significantly outperforms the existing state-of-the-art approaches. (interdisciplinary physics and related areas of science and technology)

Ab Initio Predictions of K, He and Ar Partitioning Between Silicate Melt and Liquid Iron Under High Pressure

Science.gov (United States)

Xiong, Z.; Tsuchiya, T.

2017-12-01

Element partitioning is an important property in recording geochemical processes during the core-mantle differentiation. However, experimental measurements of element partitioning coefficients under extreme temperature and pressure condition are still challenging. Theoretical modeling is also not easy, because it requires estimation of high temperature Gibbs free energy, which is not directly accessible by the standard molecular dynamics method. We recently developed an original technique to simulate Gibbs free energy based on the thermodynamics integration method[1]. We apply it to element partitioning of geochemical intriguing trace elements between molten silicate and liquid iron such as potassium, helium and argon as starting examples. Radiogenic potassium in the core can provide energy for Earth's magnetic field, convection in the mantle and outer core[2]. However, its partitioning behavior between silicate and iron remains unclear under high pressure[3,4]. Our calculations suggest that a clear positive temperature dependence of the partitioning coefficient but an insignificant pressure effect. Unlike sulfur and silicon, oxygen dissolved in the metals considerably enhances potassium solubility. Calculated electronic structures reveal alkali-metallic feature of potassium in liquid iron, favoring oxygen with strong electron affinity. Our results suggest that 40K could serve as a potential radiogenic heat source in the outer core if oxygen is the major light element therein.­­ We now further extend our technique to partitioning behaviors of other elements, helium and argon, to get insides into the `helium paradox' and `missing argon' problems. References [1] T. Taniuchi, and T. Tsuchiya, Phys.Rev.B. In press [2] B.A. Buffett, H.E. Huppert, J.R. Lister, and A.W. Woods, Geophys.Res.Lett. 29 (1996) 7989-8006. [3] V.R. Murthy, W. Westrenen, and Y. Fei, Nature. 426 (2003) 163-165. [4] A. Corgne, S.Keshav, Y. Fei, and W.F. McDonough, Earth.Planet.Sci.Lett. 256 (2007

Machine Learning methods in fitting first-principles total energies for substitutionally disordered solid

Science.gov (United States)

Gao, Qin; Yao, Sanxi; Widom, Michael

2015-03-01

Density functional theory (DFT) provides an accurate and first-principles description of solid structures and total energies. However, it is highly time-consuming to calculate structures with hundreds of atoms in the unit cell and almost not possible to calculate thousands of atoms. We apply and adapt machine learning algorithms, including compressive sensing, support vector regression and artificial neural networks to fit the DFT total energies of substitutionally disordered boron carbide. The nonparametric kernel method is also included in our models. Our fitted total energy model reproduces the DFT energies with prediction error of around 1 meV/atom. The assumptions of these machine learning models and applications of the fitted total energies will also be discussed. Financial support from McWilliams Fellowship and the ONR-MURI under the Grant No. N00014-11-1-0678 is gratefully acknowledged.

Energy budget of the volcano Stromboli, Italy

Science.gov (United States)

Mcgetchin, T. R.; Chouet, B. A.

1979-01-01

The results of the analyses of movies of eruptions at Stromboli, Italy, and other available data are used to discuss the question of its energy partitioning among various energy transport mechanisms. Energy is transported to the surface from active volcanoes in at least eight modes, viz. conduction (and convection) of the heat through the surface, radiative heat transfer from the vent, acoustical radiation in blast and jet noise, seismic radiation, thermal energy of ejected particles, kinetic energy of ejected particles, thermal energy of ejected gas, and kinetic energy of ejected gas. Estimated values of energy flux from Stromboli by these eight mechanisms are tabulated. The energy budget of Stromboli in its normal mode of activity appears to be dominated by heat conduction (and convection) through the ground surface. Heat carried by eruption gases is the most important of the other energy transfer modes. Radiated heat from the open vent and heat carried by ejected lava particles also contribute to the total flux, while seismic energy accounts for about 0.5% of the total. All other modes are trivial by comparison.

Plane partition vesicles

International Nuclear Information System (INIS)

Rensburg, E J Janse van; Ma, J

2006-01-01

We examine partitions and their natural three-dimensional generalizations, plane partitions, as models of vesicles undergoing an inflation-deflation transition. The phase diagrams of these models include a critical point corresponding to an inflation-deflation transition, and exhibits multicritical scaling in the vicinity of a multicritical point located elsewhere on the critical curve. We determine the locations of the multicritical points by analysing the generating functions using analytic and numerical means. In addition, we determine the numerical values of the multicritical scaling exponents associated with the multicritical scaling regimes in these models

The importance of applying an appropriate data partitioning

CERN Document Server

Dimitrov, Gancho; The ATLAS collaboration

2015-01-01

In this presentation are described specific technical solutions put in place in various database applications of the ATLAS experiment at LHC where we make use of several partitioning techniques available in Oracle 11g. With the broadly used range partitioning and its option of automatic interval partitioning we add our own logic in PLSQL procedures and scheduler jobs to sustain data sliding windows in order to enforce various data retention policies. We also make use of the new Oracle 11g reference partitioning in the ATLAS Nightly Build System to achieve uniform data segmentation. However the most challenging was to segment the data of the new ATLAS Distributed Data Management system, which resulted in tens of thousands list type partitions and sub-partitions. Partition and sub-partition management, index strategy, statistics gathering and queries execution plan stability are important factors when choosing an appropriate physical model for the application data management. The so-far accumulated knowledge wi...

Intersexual trophic niche partitioning in an ant-eating spider (Araneae: Zodariidae.

Directory of Open Access Journals (Sweden)

Stano Pekár

2011-01-01

Full Text Available Divergence in trophic niche between the sexes may function to reduce competition between the sexes ("intersexual niche partitioning hypothesis", or may be result from differential selection among the sexes on maximizing reproductive output ("sexual selection hypothesis". The latter may lead to higher energy demands in females driven by fecundity selection, while males invest in mate searching. We tested predictions of the two hypotheses underlying intersexual trophic niche partitioning in a natural population of spiders. Zodarion jozefienae spiders specialize on Messor barbarus ants that are polymorphic in body size and hence comprise potential trophic niches for the spider, making this system well-suited to study intersexual trophic niche partitioning.Comparative analysis of trophic morphology (the chelicerae and body size of males, females and juveniles demonstrated highly female biased SSD (Sexual Size Dimorphism in body size, body weight, and in the size of chelicerae, the latter arising from sex-specific growth patterns in trophic morphology. In the field, female spiders actively selected ant sub-castes that were larger than the average prey size, and larger than ants captured by juveniles and males. Female fecundity was highly positively correlated with female body mass, which reflects foraging success during the adult stage. Females in laboratory experiments preferred the large ant sub-castes and displayed higher capture efficiency. In contrast, males occupied a different trophic niche and showed reduced foraging effort and reduced prey capture and feeding efficiency compared with females and juveniles.Our data indicate that female-biased dimorphism in trophic morphology and body size correlate with sex-specific reproductive strategies. We propose that intersexual trophic niche partitioning is shaped primarily by fecundity selection in females, and results from sex-differences in the route to successful reproduction where females are

How fast is the growth of Total Cross Section at High Energies?

CERN Document Server

Fazal-e-Aleem, M; Sohail-Afzal, Tahir; Ayub-Faridi, M; Qadee-Afzal, M

2003-01-01

Relativistic Heavy Ion Collider and Large Hadron Colliders have special agenda for the measurements of the total cross sections at high energies giving us an opportunity to touch cosmic ray energies. Recent analyses of the cosmic ray data together with earlier experimental measurements at ISR and SPS gives us an insight about the behaviour of this important parameter at asymptotic energies. We will study the growth of total cross section at high energies in the light of various theoretical approaches with special reference to measurements at RHIC and LHC.

A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory.

Science.gov (United States)

Wong, Kin-Yiu; Gao, Jiali

2008-09-09

In this paper, we describe an automated integration-free path-integral (AIF-PI) method, based on Kleinert's variational perturbation (KP) theory, to treat internuclear quantum-statistical effects in molecular systems. We have developed an analytical method to obtain the centroid potential as a function of the variational parameter in the KP theory, which avoids numerical difficulties in path-integral Monte Carlo or molecular dynamics simulations, especially at the limit of zero-temperature. Consequently, the variational calculations using the KP theory can be efficiently carried out beyond the first order, i.e., the Giachetti-Tognetti-Feynman-Kleinert variational approach, for realistic chemical applications. By making use of the approximation of independent instantaneous normal modes (INM), the AIF-PI method can readily be applied to many-body systems. Previously, we have shown that in the INM approximation, the AIF-PI method is accurate for computing the quantum partition function of a water molecule (3 degrees of freedom) and the quantum correction factor for the collinear H(3) reaction rate (2 degrees of freedom). In this work, the accuracy and properties of the KP theory are further investigated by using the first three order perturbations on an asymmetric double-well potential, the bond vibrations of H(2), HF, and HCl represented by the Morse potential, and a proton-transfer barrier modeled by the Eckart potential. The zero-point energy, quantum partition function, and tunneling factor for these systems have been determined and are found to be in excellent agreement with the exact quantum results. Using our new analytical results at the zero-temperature limit, we show that the minimum value of the computed centroid potential in the KP theory is in excellent agreement with the ground state energy (zero-point energy) and the position of the centroid potential minimum is the expectation value of particle position in wave mechanics. The fast convergent property

Ecological total-factor energy efficiency of regions in China

International Nuclear Information System (INIS)

Li Lanbing; Hu Jinli

2012-01-01

Most existing energy efficiency indices are computed without taking into account undesirable outputs such as CO 2 and SO 2 emissions. This paper computes the ecological total-factor energy efficiency (ETFEE) of 30 regions in China for the period 2005–2009 through the slack-based model (SBM) with undesirable outputs. We calculate the ETFEE index by comparing the target energy input obtained from SBM with undesirable outputs to the actual energy input. Findings show that China's regional ETFEE still remains a low level of around 0.600 and regional energy efficiency is overestimated by more than 0.100 when not looking at environmental impacts. China's regional energy efficiency is extremely unbalanced: the east area ranks first with the highest ETFEE of above 0.700, the northeast and central areas follow, and the west area has the lowest ETFEE of less than 0.500. A monotone increasing relation exists between the area's ETFEE and China's per capita GDP. The truncated regression model shows that the ratio of R and D expenditure to GDP and the degree of foreign dependence have positive impacts, whereas the ratio of the secondary industry to GDP and the ratio of government subsidies for industrial pollution treatment to GDP have negative effects, on the ETFEE. - Highlights: ► Most energy efficiency indices ignore undesirable outputs such as CO 2 and SO 2 emissions. ► The ecological total-factor energy efficiency (ETFEE) is computed by slack-based model (SBM). ► The datasets contains 30 regions in China for the period 2005–2009. ► China's regional energy efficiency is extremely unbalanced. ► A monotone increasing relation exists between ETFEE and per capita GDP.

Equilibrium partitioning of drug molecules between aqueous and amino acid ester-based ionic liquids

International Nuclear Information System (INIS)

Jing, Jun; Li, Zhiyong; Pei, Yuanchao; Wang, Huiyong; Wang, Jianji

2013-01-01

Highlights: ► Partition coefficients of twelve drug molecules in ILs have been determined. ► The possible mechanism has been investigated from 13 C NMR measurements. ► Hydrophobic π–π interaction is the main driving force for the partitioning of drug molecules. -- Abstract: In this work, a series of novel room temperature ionic liquids (ILs) have been synthesized with cheap, naturally α-amino acid ester as cations and bis(trifluoromethylsulfonyl)imide as anion. The glass transition temperature and thermal decomposition temperature of these ILs, partition coefficients of some coumarins and purine alkaloids between water and the amino acid ester-based ILs at T = 298.15 K, and Gibbs energy, enthalpy and entropy changes for the transfer of caffeine and 6,7-dihydroxycoumarin from water to [LeuC 2 ][Tf 2 N] have been determined. It is shown that these ILs are highly effective materials for the extraction of drug compounds like coumarin, 4-hydroxycoumarin, 7-hydroxycoumarin, 3-aminocoumarin, coumarin-3-carboxylic acid, 6,7-dihydroxycoumarin, 6,7-dihydroxy-4-methylcoumarin, caffeine, theobromine, theophylline, inosine, and 2,6-diaminopurine. The partition process is driven by enthalpy term, and partition coefficients of the drug molecules increase with the increase of hydrophobicity of both the drug molecules and the ILs. Furthermore, the possible partition mechanism has been investigated from 13 C NMR measurements

Economic analysis model for total energy and economic systems

International Nuclear Information System (INIS)

Shoji, Katsuhiko; Yasukawa, Shigeru; Sato, Osamu

1980-09-01

This report describes framing an economic analysis model developed as a tool of total energy systems. To prospect and analyze future energy systems, it is important to analyze the relation between energy system and economic structure. We prepared an economic analysis model which was suited for this purpose. Our model marks that we can analyze in more detail energy related matters than other economic ones, and can forecast long-term economic progress rather than short-term economic fluctuation. From view point of economics, our model is longterm multi-sectoral economic analysis model of open Leontief type. Our model gave us appropriate results for fitting test and forecasting estimation. (author)

Reflectivity and energy balance in pulsed-laser deposition experiments from mono- and bi-atomic targets

International Nuclear Information System (INIS)

Mueller, T.; Rohr, K.P.; Sinha, B. K.

2002-01-01

Reflectivity and complete energy balance from the planar targets of aluminum, copper, nickel, and molybdenum have been measured using a Nd: glass laser (λ=1060 nm,τ=5 ns) in the low intensity regime of laser plasma interaction as a function of focal spot size. The magnitude of partition of total incident laser energy into different channels is observed to decrease as the focal spot size increases. It is further observed that the magnitude of partition of the incident energy into these channels, in general, decreases as the atomic number increases for any given focal spot size, although, the reflectivity component of the partitioned energy increases with focal spot size for any given element. The reflectivities of copper and tungsten and their alloy were measured separately. The reflectivity from the alloy plasma was reduced by a factor of 6 compared to either element separately. This observation confirms the recent theory that in the multiion plasma the ion acoustic waves are additionally damped due to additional Joule, thermal diffusion, and viscous terms in the modified ion-fluid theory of the ion acoustic waves in a multiion species plasma

Present status of partitioning developments

International Nuclear Information System (INIS)

Nakamura, Haruto; Kubota, Masumitsu; Tachimori, Shoichi

1978-09-01

Evolution and development of the concept of partitioning of high-level liquid wastes (HLLW) in nuclear fuel reprocessing are reviewed historically from the early phase of separating useful radioisotopes from HLLW to the recent phase of eliminating hazardous nuclides such as transuranium elements for safe waste disposal. Since the criteria in determining the nuclides for elimination and the respective decontamination factors are important in the strategy of partitioning, current views on the criteria are summarized. As elimination of the transuranium is most significant in the partitioning, various methods available of separating them from fission products are evaluated. (auth.)

Classification algorithms using adaptive partitioning

KAUST Repository

Binev, Peter; Cohen, Albert; Dahmen, Wolfgang; DeVore, Ronald

2014-01-01

© 2014 Institute of Mathematical Statistics. Algorithms for binary classification based on adaptive tree partitioning are formulated and analyzed for both their risk performance and their friendliness to numerical implementation. The algorithms can be viewed as generating a set approximation to the Bayes set and thus fall into the general category of set estimators. In contrast with the most studied tree-based algorithms, which utilize piecewise constant approximation on the generated partition [IEEE Trans. Inform. Theory 52 (2006) 1335.1353; Mach. Learn. 66 (2007) 209.242], we consider decorated trees, which allow us to derive higher order methods. Convergence rates for these methods are derived in terms the parameter - of margin conditions and a rate s of best approximation of the Bayes set by decorated adaptive partitions. They can also be expressed in terms of the Besov smoothness β of the regression function that governs its approximability by piecewise polynomials on adaptive partition. The execution of the algorithms does not require knowledge of the smoothness or margin conditions. Besov smoothness conditions are weaker than the commonly used Holder conditions, which govern approximation by nonadaptive partitions, and therefore for a given regression function can result in a higher rate of convergence. This in turn mitigates the compatibility conflict between smoothness and margin parameters.

Classification algorithms using adaptive partitioning

KAUST Repository

Binev, Peter

2014-12-01

© 2014 Institute of Mathematical Statistics. Algorithms for binary classification based on adaptive tree partitioning are formulated and analyzed for both their risk performance and their friendliness to numerical implementation. The algorithms can be viewed as generating a set approximation to the Bayes set and thus fall into the general category of set estimators. In contrast with the most studied tree-based algorithms, which utilize piecewise constant approximation on the generated partition [IEEE Trans. Inform. Theory 52 (2006) 1335.1353; Mach. Learn. 66 (2007) 209.242], we consider decorated trees, which allow us to derive higher order methods. Convergence rates for these methods are derived in terms the parameter - of margin conditions and a rate s of best approximation of the Bayes set by decorated adaptive partitions. They can also be expressed in terms of the Besov smoothness β of the regression function that governs its approximability by piecewise polynomials on adaptive partition. The execution of the algorithms does not require knowledge of the smoothness or margin conditions. Besov smoothness conditions are weaker than the commonly used Holder conditions, which govern approximation by nonadaptive partitions, and therefore for a given regression function can result in a higher rate of convergence. This in turn mitigates the compatibility conflict between smoothness and margin parameters.

Structural partitioning of complex structures in the medium-frequency range. An application to an automotive vehicle

Science.gov (United States)

Kassem, M.; Soize, C.; Gagliardini, L.

2011-02-01

In a recent work [ Journal of Sound and Vibration 323 (2009) 849-863] the authors presented an energy-density field approach for the vibroacoustic analysis of complex structures in the low and medium frequency ranges. In this approach, a local vibroacoustic energy model as well as a simplification of this model were constructed. In this paper, firstly an extension of the previous theory is performed in order to include the case of general input forces and secondly, a structural partitioning methodology is presented along with a set of tools used for the construction of a partitioning. Finally, an application is presented for an automotive vehicle.

Impact of partitioning and transmutation in radioactive waste management

International Nuclear Information System (INIS)

Magill, J.

2006-01-01

Nuclear energy provides a significant contribution to the overall energy supply in Europe. With 148 reactors in 13 of the 25 Member States producing a total power of 125 G We, the resulting energy generation of 850 TWh per year provides 35% of the total electrical energy requirements in the European Union. Worldwide, 441 commercial reactors operate in 31 countries and provide 17% of the electrical requirements. Currently 32 nuclear reactors are being built worldwide mostly in India, China and in neighbouring countries. The used fuel discharged from nuclear power plants constitutes the main contribution to nuclear waste in countries which do not undertake reprocessing. As such, its disposal requires isolation from the biosphere in stable deep geological formations for long periods of time (some hundred thousand years) until its radioactivity decreases through the process of radioactive decay. Ways for significantly reducing the volumes and radio toxicities of the waste and to shorten the very long times for which the waste must be stored safely are being investigated. This is the motivation behind the partitioning and transmutation (P and T) activities worldwide. Most of the hazard from the spent fuel stems from only a few chemical elements, namely plutonium, neptunium, americium, curium, and some long-lived fission products such as iodine, caesium and technetium. At present approximately 2500 t of spent fuel are produced annually in the EU, containing about 25 t of plutonium, and 3.5 t of the minor actinides neptunium, americium and curium, and about 3 t of long-lived fission products. These radioactive by-products, although present in relatively low concentrations in the used fuel, are a hazard to life forms when released into the environment. This paper addresses the potential impact of P and T on the long-term disposal of nuclear waste. In particular, it evaluates how realistic P and T scenarios can lead to a reduction in the time required for the waste to be

Energy imbalance underlying the development of childhood obesity

DEFF Research Database (Denmark)

Butte, Nancy F; Christiansen, Edmund; Sørensen, Thorkild I A

2007-01-01

: One-year changes in weight and body composition and basal metabolic rate (BMR) were measured in 488 Hispanic children and adolescents. Fat-free mass (FFM) and fat mass (FM) were measured by DXA and BMR by calorimetry. Model specifications include the following: body mass (BM) = FFM + FM, each...... with a specific energy content, cff (1.07 kcal/g FFM) and cf (9.25 kcal/g FM), basal energy expenditure (EE), kff and kf, and energetic conversion efficiency, eff (0.42) for FFM and ef (0.85) for FM. Total energy cost of weight gain is equal to the sum of energy storage, EE associated with increased BM......, conversion energy (CE), and diet-induced EE (DIEE). RESULTS: Sex- and Tanner stage-specific values are indicated for the basal EE of FFM (kff) and the fat fraction in added tissue (fr). Total energy cost of weight gain is partitioned into energy storage (24% to 36%), increase in EE (40% to 57%), CE (8% to 13...

Partitioning and transmutation of actinides and fission products

International Nuclear Information System (INIS)

Baetsle, L.H.

1993-01-01

The world's nuclear power plants have a total installed capacity of approximately 340 GWe. They give rise to an annual volume of approximately 9000 t of radioactive waste, which is reprocessed, separated from its plutonium content, contained, and stored in repositories to close the nuclear fuel cycle. Direct disposal is being discussed as an alternative to this procedure. As repositories in suitable types of host rock are not operational, the only viable solution is long-term interim storage above ground. If the volumes of radioactive waste are to be reduced, the longlived actinides and fission products must be partitioned. Isotope partitioning in accelerators, though still sounding like science fiction, may soon be indispensable as the third way of treating radioactive waste. The use of mixed oxide fuel in light water reactors and fast breeder reactors both help to limit waste arisings and protect the long-term continuity of raw materials supply. However, both require public acceptance if they are to succeed. (orig.) [de

Atmospheric concentrations and phase partitioning of polycyclic aromatic hydrocarbons in Izmir, Turkey

Energy Technology Data Exchange (ETDEWEB)

Demircioglu, Eylem; Odabasi, Mustafa [Faculty of Engineering, Department of Environmental Engineering, Dokuz Eylul University, Izmir (Turkey); Sofuoglu, Aysun [Faculty of Engineering, Department of Chemical Engineering, Izmir Institute of Technology, Gulbahce-Urla (Turkey)

2011-04-15

Ambient air polycyclic aromatic hydrocarbon (PAH) samples were collected at a suburban (n = 63) and at an urban site (n = 14) in Izmir, Turkey. Average gas-phase total PAH (sum {sub 14}PAH) concentrations were 23.5 ng m{sup -3} for suburban and 109.7 ng m{sup -3} for urban sites while average particle-phase total PAH concentrations were 12.3 and 34.5 ng m{sup -3} for suburban and urban sites, respectively. Higher ambient PAH concentrations were measured in the gas-phase and sum {sub 14}PAH concentrations were dominated by lower molecular weight PAHs. Multiple linear regression analysis indicated that the meteorological parameters were effective on ambient PAH concentrations. Emission sources of particle-phase PAHs were investigated using a diagnostic plot of fluorene (FLN)/(fluorine + pyrene; PY) versus indeno[1,2,3-cd]PY/(indeno[1,2,3-cd]PY + benzo[g,h,i]perylene) and several diagnostic ratios. These approaches have indicated that traffic emissions (petroleum combustion) were the dominant PAH sources at both sites for summer and winter seasons. Experimental gas-particle partition coefficients (K{sub P}) were compared to the predictions of octanol-air (K{sub OA}) and soot-air (K{sub SA}) partition coefficient models. The correlations between experimental and modeled K{sub P} values were significant (r{sup 2} = 0.79 and 0.94 for suburban and urban sites, respectively, p < 0.01). Octanol-based absorptive partitioning model predicted lower partition coefficients especially for relatively volatile PAHs. However, overall there was a relatively good agreement between the measured K{sub P} and soot-based model predictions. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Integrating spot short-term measurements of carbon emissions and backward dietary energy partition calculations to estimate intake in lactating dairy cows fed ad libitum or restricted.

Science.gov (United States)

Pereira, A B D; Utsumi, S A; Dorich, C D; Brito, A F

2015-12-01

The objective of this study was to use spot short-term measurements of CH4 (QCH4) and CO2 (QCO2) integrated with backward dietary energy partition calculations to estimate dry matter intake (DMI) in lactating dairy cows. Twelve multiparous cows averaging 173±37d in milk and 4 primiparous cows averaging 179±27d in milk were blocked by days in milk, parity, and DMI (as a percentage of body weight) and, within each block, randomly assigned to 1 of 2 treatments: ad libitum intake (AL) or restricted intake (RI=90% DMI) according to a crossover design. Each experimental period lasted 22d with 14d for treatments adaptation and 8d for data and sample collection. Diets contained (dry matter basis): 40% corn silage, 12% grass-legume haylage, and 48% concentrate. Spot short-term gas measurements were taken in 5-min sampling periods from 15 cows (1 cow refused sampling) using a portable, automated, open-circuit gas quantification system (GreenFeed, C-Lock Inc., Rapid City, SD) with intervals of 12h between the 2daily samples. Sampling points were advanced 2h from a day to the next to yield 16 gas samples per cow over 8d to account for diurnal variation in QCH4 and QCO2. The following equations were used sequentially to estimate DMI: (1) heat production (MJ/d)=(4.96 + 16.07 ÷ respiratory quotient) × QCO2; respiratory quotient=0.95; (2) metabolizable energy intake (MJ/d)=(heat production + milk energy) ± tissue energy balance; (3) digestible energy (DE) intake (MJ/d)=metabolizable energy + CH4 energy + urinary energy; (4) gross energy (GE) intake (MJ/d)=DE + [(DE ÷ in vitro true dry matter digestibility) - DE]; and (5) DMI (kg/d)=GE intake estimated ÷ diet GE concentration. Data were analyzed using the MIXED procedure of SAS (SAS Institute Inc., Cary, NC) and Fit Model procedure in JMP (α=0.05; SAS Institute Inc.). Cows significantly differed in DMI measured (23.8 vs. 22.4kg/d for AL and RI, respectively). Dry matter intake estimated using QCH4 and QCO2 coupled with

The Benefits of Adaptive Partitioning for Parallel AMR Applications

Energy Technology Data Exchange (ETDEWEB)

Steensland, Johan [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Advanced Software Research and Development

2008-07-01

Parallel adaptive mesh refinement methods potentially lead to realistic modeling of complex three-dimensional physical phenomena. However, the dynamics inherent in these methods present significant challenges in data partitioning and load balancing. Significant human resources, including time, effort, experience, and knowledge, are required for determining the optimal partitioning technique for each new simulation. In reality, scientists resort to using the on-board partitioner of the computational framework, or to using the partitioning industry standard, ParMetis. Adaptive partitioning refers to repeatedly selecting, configuring and invoking the optimal partitioning technique at run-time, based on the current state of the computer and application. In theory, adaptive partitioning automatically delivers superior performance and eliminates the need for repeatedly spending valuable human resources for determining the optimal static partitioning technique. In practice, however, enabling frameworks are non-existent due to the inherent significant inter-disciplinary research challenges. This paper presents a study of a simple implementation of adaptive partitioning and discusses implied potential benefits from the perspective of common groups of users within computational science. The study is based on a large set of data derived from experiments including six real-life, multi-time-step adaptive applications from various scientific domains, five complementing and fundamentally different partitioning techniques, a large set of parameters corresponding to a wide spectrum of computing environments, and a flexible cost function that considers the relative impact of multiple partitioning metrics and diverse partitioning objectives. The results show that even a simple implementation of adaptive partitioning can automatically generate results statistically equivalent to the best static partitioning. Thus, it is possible to effectively eliminate the problem of determining the

Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products

Directory of Open Access Journals (Sweden)

C. Wang

2017-06-01

Full Text Available Gas–particle partitioning governs the distribution, removal, and transport of organic compounds in the atmosphere and the formation of secondary organic aerosol (SOA. The large variety of atmospheric species and their wide range of properties make predicting this partitioning equilibrium challenging. Here we expand on earlier work and predict gas–organic and gas–aqueous phase partitioning coefficients for 3414 atmospherically relevant molecules using COSMOtherm, SPARC Performs Automated Reasoning in Chemistry (SPARC, and poly-parameter linear free-energy relationships. The Master Chemical Mechanism generated the structures by oxidizing primary emitted volatile organic compounds. Predictions for gas–organic phase partitioning coefficients (KWIOM/G by different methods are on average within 1 order of magnitude of each other, irrespective of the numbers of functional groups, except for predictions by COSMOtherm and SPARC for compounds with more than three functional groups, which have a slightly higher discrepancy. Discrepancies between predictions of gas–aqueous partitioning (KW/G are much larger and increase with the number of functional groups in the molecule. In particular, COSMOtherm often predicts much lower KW/G for highly functionalized compounds than the other methods. While the quantum-chemistry-based COSMOtherm accounts for the influence of intra-molecular interactions on conformation, highly functionalized molecules likely fall outside of the applicability domain of the other techniques, which at least in part rely on empirical data for calibration. Further analysis suggests that atmospheric phase distribution calculations are sensitive to the partitioning coefficient estimation method, in particular to the estimated value of KW/G. The large uncertainty in KW/G predictions for highly functionalized organic compounds needs to be resolved to improve the quantitative treatment of SOA formation.

Finding reproducible cluster partitions for the k-means algorithm.

Science.gov (United States)

Lisboa, Paulo J G; Etchells, Terence A; Jarman, Ian H; Chambers, Simon J

2013-01-01

K-means clustering is widely used for exploratory data analysis. While its dependence on initialisation is well-known, it is common practice to assume that the partition with lowest sum-of-squares (SSQ) total i.e. within cluster variance, is both reproducible under repeated initialisations and also the closest that k-means can provide to true structure, when applied to synthetic data. We show that this is generally the case for small numbers of clusters, but for values of k that are still of theoretical and practical interest, similar values of SSQ can correspond to markedly different cluster partitions. This paper extends stability measures previously presented in the context of finding optimal values of cluster number, into a component of a 2-d map of the local minima found by the k-means algorithm, from which not only can values of k be identified for further analysis but, more importantly, it is made clear whether the best SSQ is a suitable solution or whether obtaining a consistently good partition requires further application of the stability index. The proposed method is illustrated by application to five synthetic datasets replicating a real world breast cancer dataset with varying data density, and a large bioinformatics dataset.

Thermodynamics of the living organisms. Allometric relationship between the total metabolic energy, chemical energy and body temperature in mammals

Science.gov (United States)

Atanasov, Atanas Todorov

2017-11-01

The study present relationship between the total metabolic energy (ETME(c), J) derived as a function of body chemical energy (Gchem, J) and absolute temperature (Tb, K) in mammals: ETME(c) =Gchem (Tb/Tn). In formula the temperature Tn =2.73K appears normalization temperature. The calculated total metabolic energy ETME(c) differs negligible from the total metabolic energy ETME(J), received as a product between the basal metabolic rate (Pm, J/s) and the lifespan (Tls, s) of mammals: ETME = Pm×Tls. The physical nature and biological mean of the normalization temperature (Tn, K) is unclear. It is made the hypothesis that the kTn energy (where k= 1.3806×10-23 J/K -Boltzmann constant) presents energy of excitation states (modes) in biomolecules and body structures that could be in equilibrium with chemical energy accumulated in body. This means that the accumulated chemical energy allows trough all body molecules and structures to propagate excitations states with kTn energy with wavelength in the rage of width of biological membranes. The accumulated in biomolecules chemical energy maintains spread of the excited states through biomolecules without loss of energy.

The use of acoustically tuned resonators to improve the sound transmission loss of double panel partitions

Science.gov (United States)

Mason, J. M.; Fahy, F. J.

1986-10-01

The effectiveness of tuned Helmholtz resonators connected to the partition cavity in double-leaf partitions utilized in situations requiring low weight structures with high transmission loss is investigated as a method of improving sound transmission loss. This is demonstrated by a simple theoretical model and then experimentally verified. Results show that substantial improvements may be obtained at and around the mass-air-mass frequency for a total resonator volume 15 percent of the cavity volume.

Summer-winter concentrations and gas-particle partitioning of short chain chlorinated paraffins in the atmosphere of an urban setting.

Science.gov (United States)

Wang, Thanh; Han, Shanlong; Yuan, Bo; Zeng, Lixi; Li, Yingming; Wang, Yawei; Jiang, Guibin

2012-12-01

Short chain chlorinated paraffins (SCCPs) are semi-volatile chemicals that are considered persistent in the environment, potential toxic and subject to long-range transport. This study investigates the concentrations and gas-particle partitioning of SCCPs at an urban site in Beijing during summer and wintertime. The total atmospheric SCCP levels ranged 1.9-33.0 ng/m(3) during wintertime. Significantly higher levels were found during the summer (range 112-332 ng/m(3)). The average fraction of total SCCPs in the particle phase (ϕ) was 0.67 during wintertime but decreased significantly during the summer (ϕ = 0.06). The ten and eleven carbon chain homologues with five to eight chlorine atoms were the predominant SCCP formula groups in air. Significant linear correlations were found between the gas-particle partition coefficients and the predicted subcooled vapor pressures and octanol-air partition coefficients. The gas-particle partitioning of SCCPs was further investigated and compared with both the Junge-Pankow adsorption and K(oa)-based absorption models. Copyright © 2012 Elsevier Ltd. All rights reserved.

Vertical Distribution of Radiation and Energy Balance Partitioning Within and Above a Lodgepole Pine Stand Recovering from a Recent Insect Attack

Science.gov (United States)

Emmel, Carmen; Paul-Limoges, Eugenie; Black, Thomas Andrew; Christen, Andreas

2013-11-01

The current outbreak of mountain pine beetle (MPB) that started in the late 1990s in British Columbia, Canada, is the largest ever recorded in the north American native habitat of the beetle. The killing of trees is expected to change the vertical distribution of net radiation () and the partitioning of latent () and sensible () heat fluxes in the different layers of an attacked forest canopy. During an intensive observation period in the summer of 2010, eddy-covariance flux and radiation measurements were made at seven heights from ground level up to 1.34 times the canopy height in an MPB-attacked open-canopy forest stand in the interior of British Columbia, Canada. The lodgepole pine dominated stand with a rich secondary structure (trees and understorey not killed by the beetle) was first attacked by the MPB in 2003 and received no management. In this study, the vertical distribution of the energy balance components and their sources and sinks were analyzed and energy balance closure (EBC) was determined for various levels within the canopy. The low stand density resulted in approximately 60 % of the shortwave irradiance and 50 % of the daily total reaching the ground. Flux divergence calculations indicated relatively strong sources of latent heat at the ground and where the secondary structure was located. Only very weak sources of latent heat were found in the upper part of the canopy, which was mainly occupied by dead lodgepole pine trees. was the dominant term throughout the canopy, and the Bowen ratio () increased with height in the canopy. Soil heat flux () accounted for approximately 4 % of . Sensible heat storage in the air () was the largest of the energy balance storage components in the upper canopy during daytime, while in the lower canopy sensible heat storage in the boles () and biochemical energy storage () were the largest terms. was almost constant from the bottom to above the canopy. , and latent heat storage in the air () varied more than

Summer–winter concentrations and gas-particle partitioning of short chain chlorinated paraffins in the atmosphere of an urban setting

International Nuclear Information System (INIS)

Wang Thanh; Han Shanlong; Yuan Bo; Zeng Lixi; Li Yingming; Wang Yawei; Jiang Guibin

2012-01-01

Short chain chlorinated paraffins (SCCPs) are semi-volatile chemicals that are considered persistent in the environment, potential toxic and subject to long-range transport. This study investigates the concentrations and gas-particle partitioning of SCCPs at an urban site in Beijing during summer and wintertime. The total atmospheric SCCP levels ranged 1.9–33.0 ng/m 3 during wintertime. Significantly higher levels were found during the summer (range 112–332 ng/m 3 ). The average fraction of total SCCPs in the particle phase (φ) was 0.67 during wintertime but decreased significantly during the summer (φ = 0.06). The ten and eleven carbon chain homologues with five to eight chlorine atoms were the predominant SCCP formula groups in air. Significant linear correlations were found between the gas-particle partition coefficients and the predicted subcooled vapor pressures and octanol–air partition coefficients. The gas-particle partitioning of SCCPs was further investigated and compared with both the Junge–Pankow adsorption and K oa -based absorption models. - Highlights: ► Short chain chlorinated paraffins were investigated in air samples from Beijing. ► Higher levels of SCCPs were found in air during summertime than wintertime. ► Relevant physical–chemical properties were estimated by SPARC and EPI Suite. ► Obtained data were used to model the gas-particle partitioning of SCCPs. - Atmospheric levels and gas-particle partitioning of SCCPs in Beijing, China.

Relationships of feedlot feed efficiency, performance, and feeding behavior with metabolic rate, methane production, and energy partitioning in beef cattle.

Science.gov (United States)

Nkrumah, J D; Okine, E K; Mathison, G W; Schmid, K; Li, C; Basarab, J A; Price, M A; Wang, Z; Moore, S S

2006-01-01

Residual feed intake (RFI) is the difference between the actual and expected feed intake of an animal based on its BW and growth rate over a specified period. The biological mechanisms underlying the variation in feed efficiency in animals with similar BW and growth rate are not well understood. This study determined the relationship of feedlot feed efficiency, performance, and feeding behavior with digestion and energy partitioning of 27 steers. The steers were selected from a total of 306 animals based on their RFI following feedlot tests at the University of Alberta Kinsella Research Station. Selected steers were ranked into high RFI (RFI > 0.5 SD above the mean, n = 11), medium RFI (RFI +/- 0.5 SD above and below the mean, n = 8), and low RFI (RFI 0.10). Residual feed intake was correlated with daily methane production and energy lost as methane (r = 0.44; P < 0.05). Methane production was 28 and 24% less in low-RFI animals compared with high- and medium-RFI animals, respectively. Residual feed intake tended to be associated (P < 0.10) with apparent digestibilities of DM (r = -0.33) and CP (r = -0.34). The RFI of steers was correlated with DE (r = -0.41; P < 0.05), ME (r = -0.44; P < 0.05), heat production (HP; r = 0.68; P < 0.001), and retained energy (RE; r = -0.67; P < 0.001; energy values are expressed in kcal/kg of BW(0.75)). Feedlot partial efficiency of growth was correlated (P < 0.01) with methane production (r = -0.55), DE (r = 0.46), ME (r = 0.49), HP (r = -0.50), and RE (r = 0.62). With the exception of HP (r = 0.37; P < 0.05), feed conversion ratio was unrelated to the traits considered in the study. Feeding duration was correlated (P < 0.01) with apparent digestibility of DM (r = -0.55), CP (r = -0.47), methane production (r = 0.51), DE (r = -0.52), ME (r = -0.55), and RE (r = -0.60). These results have practical implications for the selection of animals that eat less at a similar BW and growth rate and for the environmental sustainability of beef

Gentile statistics and restricted partitions

Indian Academy of Sciences (India)

The partition function of Gentile statistics also has the property that it nicely interpolates between the ... We now construct the partition function for such a system which also incorporates the property of interpolation ... As in [4], we however keep s arbitrary even though for s > 2 there are no quadratic. Hamiltonian systems.

The importance of having an appropriate data segmentation (partitioning)

CERN Document Server

Dimitrov, Gancho; The ATLAS collaboration

2014-01-01

In this presentation will be shown real life examples from database applications in the ATLAS experiment @ LHC where we make use of many Oracle partitioning techniques available in Oracle 11g. With the broadly used range partitioning and its option of automatic interval partitioning we add our own logic in PLSQL for sustaining data sliding windows in order to enforce various data retention policies. We also make use of the reference partitioning in some use cases, however the most challenging was to segment the data of a large bookkeeping system which resulted in tens of thousands list partitions and list sub-partitions. Partition and sub-partition management, index strategy, statistics gathering and queries execution plan stability are important factors when choosing an appropriate for the use case data management model. The gained experience with all of those will be shared with the audience.

Generating Milton Babbitt's all-partition arrays

OpenAIRE

Bemman, Brian; Meredith, David

2016-01-01

In most of Milton Babbitt's (1916–2011) works written since the early 1960s, both the pitch and rhythmic content is organized according to a highly constrained structure known as the all-partition array. The all-partition array provides a framework that ensures that as many different forms of a tone row as possible (generated by any combination of transposition, inversion or reversal) are expressed 'horizontally' and that each integer partition of 12 whose cardinality is no greater than the n...

Lift of dilogarithm to partition identities

International Nuclear Information System (INIS)

Terhoeven, M.

1992-11-01

For the whole set of dilogarithm identities found recently using the thermodynamic Bethe-Ansatz for the ADET series of purely elastic scattering theories we give partition identities which involve characters of those conformal field theories which correspond to the UV-limits of the scattering theories. These partition identities in turn allow to derive the dilogarithm identities using modular invariance and a saddle point approximation. We conjecture on possible generalizations of this correspondance, namely, a lift from dilogarithm to partition identities. (orig.)

Environment-adjusted total-factor energy efficiency of Taiwan's service sectors

International Nuclear Information System (INIS)

Fang, Chin-Yi; Hu, Jin-Li; Lou, Tze-Kai

2013-01-01

This study computes the pure technical efficiency (PTE) and energy-saving target of Taiwan's service sectors during 2001–2008 by using the input-oriented data envelopment analysis (DEA) approach with the assumption of a variable returns-to-scale (VRS) situation. This paper further investigates the effects of industry characteristics on the energy-saving target by applying the four-stage DEA proposed by Fried et al. (1999). We also calculate the pre-adjusted and environment-adjusted total-factor energy efficiency (TFEE) scores in these service sectors. There are three inputs (labor, capital stock, and energy consumption) and a single output (real GDP) in the DEA model. The most energy efficient service sector is finance, insurance and real estate, which has an average TFEE of 0.994 and an environment-adjusted TFEE (EATFEE) of 0.807. The study utilizes the panel-data, random-effects Tobit regression model with the energy-saving target (EST) as the dependent variable. Those service industries with a larger GDP output have greater excess use of energy. The capital–labor ratio has a significantly positive effect while the time trend variable has a significantly negative impact on the EST, suggesting that future new capital investment should also be accompanied with energy-saving technology in the service sectors. - Highlights: • The technical efficiency and energy-saving target of service sectors are assessed. • The pre-adjusted and environment-adjusted total-factor energy efficiency scores in services are assessed. • The industrial characteristic differences are examined by the panel-data, random-effects Tobit regression model. • Labor, capital, and energy and an output (GDP) are included in the DEA model. • Future new capital investment should also be accompanied with energy-saving technology in the service sectors

Energy partition, scale by scale, in magnetic Archimedes Coriolis weak wave turbulence.

Science.gov (United States)

Salhi, A; Baklouti, F S; Godeferd, F; Lehner, T; Cambon, C

2017-02-01

Magnetic Archimedes Coriolis (MAC) waves are omnipresent in several geophysical and astrophysical flows such as the solar tachocline. In the present study, we use linear spectral theory (LST) and investigate the energy partition, scale by scale, in MAC weak wave turbulence for a Boussinesq fluid. At the scale k^{-1}, the maximal frequencies of magnetic (Alfvén) waves, gravity (Archimedes) waves, and inertial (Coriolis) waves are, respectively, V_{A}k,N, and f. By using the induction potential scalar, which is a Lagrangian invariant for a diffusionless Boussinesq fluid [Salhi et al., Phys. Rev. E 85, 026301 (2012)PLEEE81539-375510.1103/PhysRevE.85.026301], we derive a dispersion relation for the three-dimensional MAC waves, generalizing previous ones including that of f-plane MHD "shallow water" waves [Schecter et al., Astrophys. J. 551, L185 (2001)AJLEEY0004-637X10.1086/320027]. A solution for the Fourier amplitude of perturbation fields (velocity, magnetic field, and density) is derived analytically considering a diffusive fluid for which both the magnetic and thermal Prandtl numbers are one. The radial spectrum of kinetic, S_{κ}(k,t), magnetic, S_{m}(k,t), and potential, S_{p}(k,t), energies is determined considering initial isotropic conditions. For magnetic Coriolis (MC) weak wave turbulence, it is shown that, at large scales such that V_{A}k/f≪1, the Alfvén ratio S_{κ}(k,t)/S_{m}(k,t) behaves like k^{-2} if the rotation axis is aligned with the magnetic field, in agreement with previous direct numerical simulations [Favier et al., Geophys. Astrophys. Fluid Dyn. (2012)] and like k^{-1} if the rotation axis is perpendicular to the magnetic field. At small scales, such that V_{A}k/f≫1, there is an equipartition of energy between magnetic and kinetic components. For magnetic Archimedes weak wave turbulence, it is demonstrated that, at large scales, such that (V_{A}k/N≪1), there is an equipartition of energy between magnetic and potential components

Utilization of tritiated water dilution technique in determination of nitrogen partitioning in cashmere goats

International Nuclear Information System (INIS)

Wang Linfeng; Yang Gaiqing; Liu Ping; Zhang Shijun

2010-01-01

In order to investigate nitrogen partitioning in local cashmere goats, six Inner Mogolia White Cashmere goats between 2 to 2.5 years old were used to determine the nitrogen partitioning in cashmere goats. The total retained nitrogen (TN) in body, distribution of body nitrgen and hair nitrogen were measured by general digestive and metabolism method combined with tritiated water dilution technique. Results showed that the combined methods were ideal for determining body nitrgen (BN) and hair nitrogen (fur nitrogen, FN) of Cashmere goats. There were obvious significance between BN and FN in different seasons. In telogen, BN and FN partitioning was 75.7% ± 0.62% and 24.3% ± 0.62%, respectively. Whereas, it changed to 66.6% ± 2.2% and 33.4% ± 2.2% in anagen. BN partitioning decreased when the season changed from telogen to anagen, while FN partitioning increased, which indicated that more nitrogen substance was partitioned to body growth in telogen, and more nitrogen substance was distribute to cashmere growth in anagen. These transformation were related to the changing of photoperiod and some hormones, such as melatonin (MT), prolactin (PRL) and IGF-I. It could be concluded that tritiated water dilution technique can be used to detect body protein content as well as BN, combining general digestive and metabolism experiment, FN partitoning can be determined. BN and FN partitoning varied with the season in cashmere goats because of hormones changing. (authors)

Total Corporate social responsibility report 2004. Sharing our energy; TOTAL rapport societal and environnemental 2004. Notre energie en partage

Energy Technology Data Exchange (ETDEWEB)

NONE

2005-05-15

This document presents the social and environmental activities of the group Total for the year 2004. It provides information on the ethical aspects of the governance, the industrial security, the environmental policy, the public health and the occupational safety, the social liability and the economical and social impact of the group activities in the local development, the contribution to the climatic change fight and the development of other energy sources. (A.L.B.)

Effects of Mn partitioning on nanoscale precipitation and mechanical properties of ferritic steels strengthened by NiAl nanoparticles

International Nuclear Information System (INIS)

Jiao, Z.B.; Luan, J.H.; Miller, M.K.; Yu, C.Y.; Liu, C.T.

2015-01-01

The critical role of Mn partitioning in the formation of ordered NiAl nanoparticles in ferritic steels has been examined through a combination of atom probe tomography (APT) and thermodynamic and first-principles calculations. Our APT study reveals that Mn partitions to the NiAl nanoparticles, and dramatically increases the particle number density by more than an order of magnitude, leading to a threefold enhancement in strengthening. Atomistic structural analyses reveal that Mn is energetically favored to partition to the NiAl nanoparticles by preferentially occupying the Al sublattice, which not only increases the driving force, but also reduces the strain energy for nucleation, thereby significantly decreasing the critical energy for formation of the NiAl nanoparticles in ferritic steels. In addition, the effects of Mn on the precipitation strengthening mechanisms were quantitatively evaluated in terms of chemical strengthening, coherency strengthening, modulus strengthening and order strengthening

Parameterization of α-nucleus total reaction cross section at intermediate energies

International Nuclear Information System (INIS)

Alvi, M A; Abdulmomen, M A

2008-01-01

Applying a Coulomb correction factor to the Glauber model we have derived a closed expression for α-nucleus total reaction cross section, σ R . Under the approximation of rigid projectile model, the elastic S-matrix element S el (b) is evaluated from the phenomenological N-α amplitude and a Gaussian fit to the Helm's model form factor. Excellent agreements with the experimental data have been achieved by performing two-parameter fits to the α-nucleus σ R data in the energy range about 75 to 193 MeV. One of the parameters was found to be energy independent while the other, as expected, shows the energy dependence similar to that of N-α total cross section.

EXTENSION OF FORMULAS FOR PARTITION FUNCTIONS

African Journals Online (AJOL)

Ladan et al.

2Department of Mathematics, Ahmadu Bello University, Zaria. ... 2 + 1 + 1. = 1 + 1 + 1 + 1. Partition function ( ). Andrew and Erikson (2004) stated that the ..... Andrews, G.E., 1984, The Theory of Partitions, Cambridge ... Pure Appl. Math.

Multiphoton ionization as a probe of molecular photofragmentation: statistical and dynamical energy partitioning in the multiphoton dissociation of nitromethane

International Nuclear Information System (INIS)

Rockney, B.H.

1982-01-01

Multiphoton ionization (MPI) appears in its first use as a probe of laser-induced photofragmentation. Specifically, MPI here reveals the internal and translational energy content of the nascent fragments from the infrared multiphoton dissociation (MPD) of nitromethane (CH 3 NO 2 ). The apparatus for this work consists of a pulsed supersonic molecular beam crossed by two pulsed and focused lasers - a CO 2 laser to induce collision-free unimolecular dissociation of CH 3 NO 2 , and a tunable dye laser following immediately to ionize selectively one of the pair of dissociation fragments for detection by a mass spectrometer and particle multiplier. A computer simulation of each fragment's MPI spectrum, a series of four photon resonances to members of the npsigma/sub u/ Rydberg state of NO 2 and three photon resonances to two vibrational members of the #betta# 1 Rydberg state of CH 3 , aids in determining the fragment's internal energy content. The dye laser is delayed and its focus is traced through a small quarter circle centered at the focus of the CO 2 laser. The flight times of the fragments from the point of dissociation and their laboratory scattering angular distributions at fixed ionizing laser wavelength provide their center of mass recoil velocity distributions. The energy deposited in the fragments evidences a striking mixture of statistical and dynamical energy partitioning. The statistical RRKM theory of unimolecular decomposition accurately predicts the amount of internal energy found in the fragments

The partition dimension of cycle books graph

Science.gov (United States)

Santoso, Jaya; Darmaji

2018-03-01

Let G be a nontrivial and connected graph with vertex set V(G), edge set E(G) and S ⊆ V(G) with v ∈ V(G), the distance between v and S is d(v,S) = min{d(v,x)|x ∈ S}. For an ordered partition ∏ = {S 1, S 2, S 3,…, Sk } of V(G), the representation of v with respect to ∏ is defined by r(v|∏) = (d(v, S 1), d(v, S 2),…, d(v, Sk )). The partition ∏ is called a resolving partition of G if all representations of vertices are distinct. The partition dimension pd(G) is the smallest integer k such that G has a resolving partition set with k members. In this research, we will determine the partition dimension of Cycle Books {B}{Cr,m}. Cycle books graph {B}{Cr,m} is a graph consisting of m copies cycle Cr with the common path P 2. It is shown that the partition dimension of cycle books graph, pd({B}{C3,m}) is 3 for m = 2, 3, and m for m ≥ 4. pd({B}{C4,m}) is 3 + 2k for m = 3k + 2, 4 + 2(k ‑ 1) for m = 3k + 1, and 3 + 2(k ‑ 1) for m = 3k. pd({B}{C5,m}) is m + 1.

Quantum Dilogarithms and Partition q-Series

Science.gov (United States)

Kato, Akishi; Terashima, Yuji

2015-08-01

In our previous work (Kato and Terashima, Commun Math Phys. arXiv:1403.6569, 2014), we introduced the partition q-series for mutation loop γ—a loop in exchange quiver. In this paper, we show that for a certain class of mutation sequences, called reddening sequences, the graded version of partition q-series essentially coincides with the ordered product of quantum dilogarithm associated with each mutation; the partition q-series provides a state-sum description of combinatorial Donaldson-Thomas invariants introduced by Keller.

Consolidated Incineration Facility metals partitioning test

International Nuclear Information System (INIS)

Burns, D.B.

1993-01-01

Test burns were conducted at Energy and Environmental Research Corporation's rotary kiln simulator, the Solid Waste Incineration Test Facility, using surrogate CIF wastes spiked with hazardous metals and organics. The primary objective for this test program was measuring heavy metals partition between the kiln bottom ash, scrubber blowdown solution, and incinerator stack gas. Also, these secondary waste streams were characterized to determine waste treatment requirements prior to final disposal. These tests were designed to investigate the effect of several parameters on metals partitioning: incineration temperature; waste chloride concentration; waste form (solid or liquid); and chloride concentration in the scrubber water. Tests were conducted at three kiln operating temperatures. Three waste simulants were burned, two solid waste mixtures (paper, plastic, latex, and one with and one without PVC), and a liquid waste mixture (containing benzene and chlorobenzene). Toxic organic and metal compounds were spiked into the simulated wastes to evaluate their fate under various combustion conditions. Kiln offgases were sampled for volatile organic compounds (VOC), semi-volatile organic compounds (SVOC), polychlorinated dibenz[p]dioxins and polychlorinated dibenzofurans (PCDD/PCDF), metals, particulate loading and size distribution, HCl, and combustion products. Stack gas sampling was performed to determine additional treatment requirements prior to final waste disposal. Significant test results are summarized below

Speeding Up FPGA Placement via Partitioning and Multithreading

Directory of Open Access Journals (Sweden)

Cristinel Ababei

2009-01-01

placement subproblems are created by partitioning and then processed concurrently by multiple worker threads that are run on multiple cores of the same processor. Our main goal is to investigate the speedup that can be achieved with this simple approach compared to previous approaches that were based on distributed computing. The new hybrid parallel placement algorithm achieves an average speedup of 2.5× using four worker threads, while the total wire length and circuit delay after routing are minimally degraded.

A statistical mechanical approach to restricted integer partition functions

Science.gov (United States)

Zhou, Chi-Chun; Dai, Wu-Sheng

2018-05-01

The main aim of this paper is twofold: (1) suggesting a statistical mechanical approach to the calculation of the generating function of restricted integer partition functions which count the number of partitions—a way of writing an integer as a sum of other integers under certain restrictions. In this approach, the generating function of restricted integer partition functions is constructed from the canonical partition functions of various quantum gases. (2) Introducing a new type of restricted integer partition functions corresponding to general statistics which is a generalization of Gentile statistics in statistical mechanics; many kinds of restricted integer partition functions are special cases of this restricted integer partition function. Moreover, with statistical mechanics as a bridge, we reveal a mathematical fact: the generating function of restricted integer partition function is just the symmetric function which is a class of functions being invariant under the action of permutation groups. Using this approach, we provide some expressions of restricted integer partition functions as examples.

Research on the decomposition model for China’s National Renewable Energy total target

International Nuclear Information System (INIS)

Liu, Zhen; Shi, Yuren; Yan, Jianming; Ou, Xunmin; Lieu, Jenny

2012-01-01

It is crucial that China’s renewable energy national target in 2020 is effectively decomposed into respective period targets at the provincial level. In order to resolve problems arising from combining the national and local renewable energy development plan, a total target and period target decomposition model of renewable energy is proposed which considers the resource distribution and energy consumption of different provinces as well as the development characteristics of various renewable energy industries. In the model, the total proposed target is comprised of three shares: basic share, fixed share and floating share target. The target distributed for each province is then determined by the preference relation. That is, when total renewable energy target is distributed, the central government is more concerned about resources potential or energy consumption. Additionally, the growth models for various renewable energy industries are presented, and the period targets of renewable energy in various provinces are proposed in line with regional economic development targets. In order to verify whether the energy target can be achieved, only wind power, solar power, and hydropower are considered in this study. To convenient to assess the performance of local government, the two year period is chosen as an evaluation cycle in the paper. The renewable energy targets per two-year period for each province are calculated based on the overall national renewable energy target, energy requirements and resources distribution. Setting provincial period targets will help policy makers to better implement and supervise the overall renewable energy plan. - Highlights: It is very importance that the national target of renewable energy in 2020 can be effectively decomposed into the stages target of various province. In order to resolve the relation the plan between the national and local renewable energy development planning, a total target and phase target decomposition model

Use of Binary Partition Tree and energy minimization for object-based classification of urban land cover

Science.gov (United States)

Li, Mengmeng; Bijker, Wietske; Stein, Alfred

2015-04-01

Two main challenges are faced when classifying urban land cover from very high resolution satellite images: obtaining an optimal image segmentation and distinguishing buildings from other man-made objects. For optimal segmentation, this work proposes a hierarchical representation of an image by means of a Binary Partition Tree (BPT) and an unsupervised evaluation of image segmentations by energy minimization. For building extraction, we apply fuzzy sets to create a fuzzy landscape of shadows which in turn involves a two-step procedure. The first step is a preliminarily image classification at a fine segmentation level to generate vegetation and shadow information. The second step models the directional relationship between building and shadow objects to extract building information at the optimal segmentation level. We conducted the experiments on two datasets of Pléiades images from Wuhan City, China. To demonstrate its performance, the proposed classification is compared at the optimal segmentation level with Maximum Likelihood Classification and Support Vector Machine classification. The results show that the proposed classification produced the highest overall accuracies and kappa coefficients, and the smallest over-classification and under-classification geometric errors. We conclude first that integrating BPT with energy minimization offers an effective means for image segmentation. Second, we conclude that the directional relationship between building and shadow objects represented by a fuzzy landscape is important for building extraction.

Spatially Partitioned Embedded Runge--Kutta Methods

KAUST Repository

Ketcheson, David I.

2013-10-30

We study spatially partitioned embedded Runge--Kutta (SPERK) schemes for partial differential equations (PDEs), in which each of the component schemes is applied over a different part of the spatial domain. Such methods may be convenient for problems in which the smoothness of the solution or the magnitudes of the PDE coefficients vary strongly in space. We focus on embedded partitioned methods as they offer greater efficiency and avoid the order reduction that may occur in nonembedded schemes. We demonstrate that the lack of conservation in partitioned schemes can lead to nonphysical effects and propose conservative additive schemes based on partitioning the fluxes rather than the ordinary differential equations. A variety of SPERK schemes are presented, including an embedded pair suitable for the time evolution of fifth-order weighted nonoscillatory spatial discretizations. Numerical experiments are provided to support the theory.

Spatially Partitioned Embedded Runge--Kutta Methods

KAUST Repository

Ketcheson, David I.; MacDonald, Colin B.; Ruuth, Steven J.

2013-01-01

We study spatially partitioned embedded Runge--Kutta (SPERK) schemes for partial differential equations (PDEs), in which each of the component schemes is applied over a different part of the spatial domain. Such methods may be convenient for problems in which the smoothness of the solution or the magnitudes of the PDE coefficients vary strongly in space. We focus on embedded partitioned methods as they offer greater efficiency and avoid the order reduction that may occur in nonembedded schemes. We demonstrate that the lack of conservation in partitioned schemes can lead to nonphysical effects and propose conservative additive schemes based on partitioning the fluxes rather than the ordinary differential equations. A variety of SPERK schemes are presented, including an embedded pair suitable for the time evolution of fifth-order weighted nonoscillatory spatial discretizations. Numerical experiments are provided to support the theory.

Partitioning and transmutation (P and D) 1995. A review of the current state of the art

International Nuclear Information System (INIS)

Skaalberg, M.; Landgren, A.; Spjuth, L.; Liljenzin, J.O.; Gudowski, W.

1995-12-01

The recent development in the field of partitioning and transmutation (P/T) is reviewed and evaluated. Current national and international R and D efforts are summarized. Nuclear transmutation with energy production is feasible in nuclear reactors where fast and thermal breeders are the most efficient for transmutation purposes. The operation of subcritical nuclear reactors by high current proton accelerators that generate neutrons in a spallation target is also an interesting option for transmutation and energy production, that has to be more carefully evaluated. These accelerator-driven systems are probably the only solution for the transmutation of long-lived fission products with small neutron capture cross sections and actinide isotopes with small fission cross sections. The requirements on the separation chemistry in the partitioning process depends on the transmutation strategy chosen. Recent developments in aqueous based separation chemistry opens some interesting possibilities to meet some of the requirements, such as separation of different actinides and some fission products and reduction of secondary waste streams. In the advanced accelerator-driven transmutation systems proposed, liquid fuels such as molten salts are considered. The partitioning processes that can be used for these types of fuel will, however, require a long term research program. The possibility to use centrifuge separation is an interesting partitioning option that recently has been proposed. 51 refs, 7 figs, 3 tabs

Impact of dietary fiber energy on the calculation of food total energy value in the Brazilian Food Composition Database.

Science.gov (United States)

Menezes, Elizabete Wenzel de; Grande, Fernanda; Giuntini, Eliana Bistriche; Lopes, Tássia do Vale Cardoso; Dan, Milana Cara Tanasov; Prado, Samira Bernardino Ramos do; Franco, Bernadette Dora Gombossy de Melo; Charrondière, U Ruth; Lajolo, Franco Maria

2016-02-15

Dietary fiber (DF) contributes to the energy value of foods and including it in the calculation of total food energy has been recommended for food composition databases. The present study aimed to investigate the impact of including energy provided by the DF fermentation in the calculation of food energy. Total energy values of 1753 foods from the Brazilian Food Composition Database were calculated with or without the inclusion of DF energy. The energy values were compared, through the use of percentage difference (D%), in individual foods and in daily menus. Appreciable energy D% (⩾10) was observed in 321 foods, mainly in the group of vegetables, legumes and fruits. However, in the Brazilian typical menus containing foods from all groups, only D%foods, when individually considered. Copyright © 2015 Elsevier Ltd. All rights reserved.

Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations.

Science.gov (United States)

Bhatnagar, Navendu; Kamath, Ganesh; Chelst, Issac; Potoff, Jeffrey J

2012-07-07

The 1-octanol-water partition coefficient log K(ow) of a solute is a key parameter used in the prediction of a wide variety of complex phenomena such as drug availability and bioaccumulation potential of trace contaminants. In this work, adaptive biasing force molecular dynamics simulations are used to determine absolute free energies of hydration, solvation, and 1-octanol-water partition coefficients for n-alkanes from methane to octane. Two approaches are evaluated; the direct transfer of the solute from 1-octanol to water phase, and separate transfers of the solute from the water or 1-octanol phase to vacuum, with both methods yielding statistically indistinguishable results. Calculations performed with the TIP4P and SPC∕E water models and the TraPPE united-atom force field for n-alkanes show that the choice of water model has a negligible effect on predicted free energies of transfer and partition coefficients for n-alkanes. A comparison of calculations using wet and dry octanol phases shows that the predictions for log K(ow) using wet octanol are 0.2-0.4 log units lower than for dry octanol, although this is within the statistical uncertainty of the calculation.

Photoperiodic control of soybean 14C-assimilate partitioning during the seed filling period

International Nuclear Information System (INIS)

Morandi, E.N.

1986-01-01

Photoperiod not only controls the timing of flowering, but also affects later stages of seed development. To study its effect on assimilate partitioning, soybean plants were kept in short days (SD) or night interrupted (NI) during seed filling. The source-sink ratio was fixed to one leaflet-one pod per node. The node was girdle-isolated and its leaflet was pulse labelled with 14 CO 2 . SD plants partitioned more 14 C into seeds, while NI plants showed higher proportions in the petiole, stem and carpel. Seed growth rate and final seed dry weight were increased by 40% in SD. The sugar/starch ratio was increased in cotyledons and decreased in leaves of SD plants. In contrast, NI plants showed more 14 C incorporation into proteins. No changes were detected in carbon exchange ratio, dark respiration and total node dry weight. Thus, photoperiodic induced changes in carbohydrate and protein partitioning occurred without changes in the overall assimilatory process

The use of acoustically tuned resonators to improve the sound transmission loss of double-panel partitions

Science.gov (United States)

Mason, J. M.; Fahy, F. J.

1988-07-01

Double-leaf partitions are often utilized in situations requiring low weight structures with high transmission loss, an example of current interest being the fuselage walls of propeller-driven aircraft. In this case, acoustic excitation is periodic and, if one of the frequencies of excitation lies in the region of the fundamental mass-air-mass frequency of the partition, insulation performance is considerably less than desired. The potential effectiveness of tuned Helmholtz resonators connected to the partition cavity is investigated as a method of improving transmission loss. This is demonstrated by a simple theoretical model and then experimentally verified. Results show that substantial improvements may be obtained at and around the mass-air-mass frequency for a total resonator volume 15 percent of the cavity volume.

Energy efficiency improvement: A strong driver for Total operations and R and D

Energy Technology Data Exchange (ETDEWEB)

Garnaud, Frederic; Rocher, Anne

2010-09-15

Total has implemented an energy efficiency action plan for both producing fields and new projects linked to a dedicated R and D program. The Energy efficiency assessment methodology is described, with an example: base line of the current situation, energy efficiency plan, contribution to best practices at corporate level. A methodology to assess the energy efficiency of a new development has been defined and implemented within Total. This methodology as well as related indicators is presented. Examples of R and D results dedicated to improve energy efficiency in two major areas of future developments are given: sour gas production and deep offshore field architecture.

Partitioning of Electromagnetic Energy Inputs to the Thermosphere during Geomagnetic Disturbances

Science.gov (United States)

2012-06-01

boundary of a local flux tube volume is an equipotential . Figure 4 contains maps of Poynting flux normal to a 500 km altitude surface and maps of height...as a cell quantity throughout its computational volume, we are able to generate maps of the Poynting flux, ⃗ ⃗⃗⃗⃗⃗⃗ , on altitude surfaces at...the top of the thermosphere. We used separate modules to integrate the Poynting flux over this surface to compute the total electromagnetic energy

Partitioning tracers for measuring residual NAPL: Field-scale test results

International Nuclear Information System (INIS)

Annable, M.D.; Rao, P.S.C.; Hatfield, K.; Graham, W.D.; Wood, A.L.; Enfield, C.G.

1998-01-01

The difficult task of locating and quantifying nonaqueous phase liquids (NAPLs) present in the vadose and saturated zones has prompted the development of innovative, nondestructive characterization techniques. The use of the interwell partitioning tracer's (IWPT) test, in which tracers that partition into the NAPL phase are displaced through the aquifer, is an attractive alternative to traditional coring and analysis. The first field test of IWPT was conducted in a hydraulically isolated test cell to quantify the total amount of a complex NAPL (a mixture of JP-4 jet fuel and chlorinated solvents) trapped within a 1.5-m smear zone in a shallow, unconfined sand and gravel aquifer at Hill Air Force Base (AFB), Utah. Tracer breakthrough curves (BTCs) were measured in three extraction wells (EWs) following a tracer pulse introduction through four injection wells (IWs). The measured retardation of the partitioning tracer (2,2-dimethyl-3-pentanol) relative to the nonreactive tracer (bromide) was used to quantify the NAPL present. The EW data were used to estimate an average NAPL saturation of 4.6--5.4% within the test cell. NAPL saturations estimated by using measured concentrations in soil cores of two significant compounds present in the NAPL were 3.0 and 4.6%

Partitions in languages and parallel computations

Energy Technology Data Exchange (ETDEWEB)

Burgin, M S; Burgina, E S

1982-05-01

Partitions of entries (linguistic structures) are studied that are intended for parallel data processing. The representations of formal languages with the aid of such structures is examined, and the relationships are considered between partitions of entries and abstract families of languages and automata. 18 references.

Intersexual Trophic Niche Partitioning in an Ant-Eating spider (Araneae: Zodariidae)

DEFF Research Database (Denmark)

Pekár, Stanislav; Martisová, Martina; Bilde, T.

2011-01-01

lead to higher energy demands in females driven by fecundity selection, while males invest in mate searching. We tested predictions of the two hypotheses underlying intersexual trophic niche partitioning in a natural population of spiders. Zodarion jozefienae spiders specialize on Messor barbarus ants...... that are polymorphic in body size and hence comprise potential trophic niches for the spider, making this system well-suited to study intersexual trophic niche partitioning. Methodology/Principal Findings Comparative analysis of trophic morphology (the chelicerae) and body size of males, females and juveniles...... demonstrated highly female biased SSD (Sexual Size Dimorphism) in body size, body weight, and in the size of chelicerae, the latter arising from sex-specific growth patterns in trophic morphology. In the field, female spiders actively selected ant sub-castes that were larger than the average prey size...

Evaporative water loss, relative water economy and evaporative partitioning of a heterothermic marsupial, the monito del monte (Dromiciops gliroides).

Science.gov (United States)

Withers, Philip C; Cooper, Christine E; Nespolo, Roberto F

2012-08-15

We examine here evaporative water loss, economy and partitioning at ambient temperatures from 14 to 33°C for the monito del monte (Dromiciops gliroides), a microbiotheriid marsupial found only in temperate rainforests of Chile. The monito's standard evaporative water loss (2.58 mg g(-1) h(-1) at 30°C) was typical for a marsupial of its body mass and phylogenetic position. Evaporative water loss was independent of air temperature below thermoneutrality, but enhanced evaporative water loss and hyperthermia were the primary thermal responses above the thermoneutral zone. Non-invasive partitioning of total evaporative water loss indicated that respiratory loss accounted for 59-77% of the total, with no change in respiratory loss with ambient temperature, but a small change in cutaneous loss below thermoneutrality and an increase in cutaneous loss in and above thermoneutrality. Relative water economy (metabolic water production/evaporative water loss) increased at low ambient temperatures, with a point of relative water economy of 15.4°C. Thermolability had little effect on relative water economy, but conferred substantial energy savings at low ambient temperatures. Torpor reduced total evaporative water loss to as little as 21% of normothermic values, but relative water economy during torpor was poor even at low ambient temperatures because of the relatively greater reduction in metabolic water production than in evaporative water loss. The poor water economy of the monito during torpor suggests that negative water balance may explain why hibernators periodically arouse to normothermia, to obtain water by drinking or via an improved water economy.

6,7Li + 28Si total reaction cross sections at near barrier energies

International Nuclear Information System (INIS)

Pakou, A.; Musumarra, A.; Pierroutsakou, D.; Alamanos, N.; Assimakopoulos, P.A.; Divis, N.; Doukelis, G.; Gillibert, A.; Harissopulos, S.; Kalyva, G.; Kokkoris, M.; Lagoyannis, A.; Mertzimekis, T.J.; Nicolis, N.G.; Papachristodoulou, C.; Perdikakis, G.; Roubos, D.; Rusek, K.; Spyrou, S.; Zarkadas, Ch.

2007-01-01

Total reaction cross section measurements for the 6,7 Li + 28 Si systems have been performed at near-barrier energies. The results indicate that, with respect to the potential anomaly at barrier, 6 Li and 7 Li on light targets exhibit similar energy dependence on the imaginary potential. Comparisons are made with 6,7 Li cross sections on light and heavy targets, extracted via previous elastic scattering measurements and also with CDCC calculations. Energy dependent parametrisations are also obtained for total reaction cross sections of 6,7 Li on Si, as well as on any target, at near barrier energies

Scheduling Driven Partitioning of Heterogeneous Embedded Systems

DEFF Research Database (Denmark)

Pop, Paul; Eles, Petru; Peng, Zebo

1998-01-01

In this paper we present an algorithm for system level hardware/software partitioning of heterogeneous embedded systems. The system is represented as an abstract graph which captures both data-flow and the flow of control. Given an architecture consisting of several processors, ASICs and shared...... busses, our partitioning algorithm finds the partitioning with the smallest hardware cost and is able to predict and guarantee the performance of the system in terms of worst case delay....

Energy consumption and total factor productivity growth in Iranian agriculture

Directory of Open Access Journals (Sweden)

Reza Moghaddasi

2016-11-01

Full Text Available In this study we investigated the relation between energy consumption and growth of total factor productivity (TFP of agriculture in Iran from 1974 to 2012 using Solow residual method. The results from estimated aggregate Cobb–Douglas production function showed that one percent change in the value of labor, capital and energy will lead to 4.07, 0.09 and 0.49 percent change in agriculture value added, respectively. Also in a long term, based on the Johansen cointegration test, there is a negative relation between TFP growth and energy consumption in Iranian agriculture which might be due to cheap and inefficient energy use in this sector. Gradual liberalization of energy price and use of so called green box support policies is recommended.

Partition functions for supersymmetric black holes

NARCIS (Netherlands)

Manschot, J.

2008-01-01

This thesis presents a number of results on partition functions for four-dimensional supersymmetric black holes. These partition functions are important tools to explain the entropy of black holes from a microscopic point of view. Such a microscopic explanation was desired after the association of a

Aspects of system modelling in Hardware/Software partitioning

DEFF Research Database (Denmark)

Knudsen, Peter Voigt; Madsen, Jan

1996-01-01

This paper addresses fundamental aspects of system modelling and partitioning algorithms in the area of Hardware/Software Codesign. Three basic system models for partitioning are presented and the consequences of partitioning according to each of these are analyzed. The analysis shows...... the importance of making a clear distinction between the model used for partitioning and the model used for evaluation It also illustrates the importance of having a realistic hardware model such that hardware sharing can be taken into account. Finally, the importance of integrating scheduling and allocation...

Achievement report for fiscal 1981 on Sunshine Program-entrusted research and development. Research on hydrogen energy total system; 1981 nendo suiso energy total system no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

In this research, studies are conducted relative to the time point, form, and magnitude of the introduction of hydrogen into Japan's total energy system. The research aims to construct a hydrogen energy total system consisting of hydrogen energy subsystems to be available in the future and to clearly define the stage at which transfer to the target system will be carried out. In the research for fiscal 1981, studies continue about the feasibility of hydrogen as automobile and aviation fuels and as a material for use in chemical engineering, about conversion into each other of hydrogen and various synthetic fuels and electric power with which hydrogen will have to compete in the domain into which it will be supplied, and about technologies of their utilization for comparison between such energies in the search for their interchangeability. Surveys are conducted on technical data about local energies. The Yakushima island is chosen, for instance, and a conceptual hydrogen energy base is constructed there and the cost for the construction is estimated. At the last part, the feasibility of the introduction of hydrogen into Japan's energy system in the future is discussed for assessment. (NEDO)

Relativistic total energy and chemical potential of heavy atoms and positive ions

International Nuclear Information System (INIS)

Hill, S.H.; Grout, P.J.; March, N.H.

1984-01-01

The relativistic Thomas-Fermi theory, with a finite nucleus, is used to study the variation of the chemical potential μ with atomic number Z and number of electrons N (N <= Z). The difference between the total energy of positive ions and that of the corresponding neutral atom has been obtained. The scaling predictions are confirmed by numerical calculations. The first principles calculation of the relativistic Thomas-Fermi total energy of neutral atoms is also studied. (author)

Generating Milton Babbitt's all-partition arrays

DEFF Research Database (Denmark)

Bemman, Brian; Meredith, David

2016-01-01

In most of Milton Babbitt's (1916–2011) works written since the early 1960s, both the pitch and rhythmic content is organized according to a highly constrained structure known as the all-partition array. The all-partition array provides a framework that ensures that as many different forms...

Voltage equalization of an ultracapacitor module by cell grouping using number partitioning algorithm

Science.gov (United States)

Oyarbide, E.; Bernal, C.; Molina, P.; Jiménez, L. A.; Gálvez, R.; Martínez, A.

2016-01-01

Ultracapacitors are low voltage devices and therefore, for practical applications, they need to be used in modules of series-connected cells. Because of the inherent manufacturing tolerance of the capacitance parameter of each cell, and as the maximum voltage value cannot be exceeded, the module requires inter-cell voltage equalization. If the intended application suffers repeated fast charging/discharging cycles, active equalization circuits must be rated to full power, and thus the module becomes expensive. Previous work shows that a series connection of several sets of paralleled ultracapacitors minimizes the dispersion of equivalent capacitance values, and also the voltage differences between capacitors. Thus the overall life expectancy is improved. This paper proposes a method to distribute ultracapacitors with a number partitioning-based strategy to reduce the dispersion between equivalent submodule capacitances. Thereafter, the total amount of stored energy and/or the life expectancy of the device can be considerably improved.

Recent progress on R and D of innovative extractants and adsorbents for partitioning of minor actinides at JAEA

International Nuclear Information System (INIS)

Kimura, Takaumi; Morita, Yasuji; Koma, Yoshikazu

2010-01-01

The R and D effort on partitioning of minor actinides (MA) at the Japan Atomic Energy Agency (JAEA) has been concentrated on development and improvement of innovative extractants and adsorbents as the fundamental studies and of MA recovery process as the advanced aqueous reprocessing system in fast reactor cycle technology development (FaCT) project. This paper reviews current status and prospects of the R and D activities on the partitioning of MA at JAEA. (authors)

Partition function for a singular background

International Nuclear Information System (INIS)

McKenzie-Smith, J.J.; Naylor, W.

2005-01-01

We present a method for evaluating the partition function in a varying external field. Specifically, we look at the case of a non-interacting, charged, massive scalar field at finite temperature with an associated chemical potential in the background of a delta-function potential. Whilst we present a general method, valid at all temperatures, we only give the result for the leading order term in the high temperature limit. Although the derivative expansion breaks down for inhomogeneous backgrounds we are able to obtain the high temperature expansion, as well as an analytic expression for the zero point energy, by way of a different approximation scheme, which we call the local Born approximation (LBA)

Partition function for a singular background

Energy Technology Data Exchange (ETDEWEB)

McKenzie-Smith, J.J. [Financial Risk Management Ltd, 15 Adam Street, London WC2N 6AH (United Kingdom)]. E-mail: julian.mckenzie-smith@frmhedge.com; Naylor, W. [Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan)]. E-mail: naylor@yukawa.kyoto-u.ac.jp

2005-03-17

We present a method for evaluating the partition function in a varying external field. Specifically, we look at the case of a non-interacting, charged, massive scalar field at finite temperature with an associated chemical potential in the background of a delta-function potential. Whilst we present a general method, valid at all temperatures, we only give the result for the leading order term in the high temperature limit. Although the derivative expansion breaks down for inhomogeneous backgrounds we are able to obtain the high temperature expansion, as well as an analytic expression for the zero point energy, by way of a different approximation scheme, which we call the local Born approximation (LBA)

Elastic scattering and total cross section at very high energies

International Nuclear Information System (INIS)

Castaldi, R.; Sanguinetti, G.

1985-01-01

The aim of this review is to summarize the recent progress in the field of elastic scattering and total cross section in this new energy domain. In Section 2 a survey of the experimental situation is outlined. The most significant data are presented, with emphasis on the interpretation, not the specific details or technicalities. This section is therefore intended to give a self-contained look at the field, especially for the nonspecialist. In Section 3, hadron scattering at high energy is described in an impact parameter picture, which provides a model-independent intuitive geometrical representation. The diffractive character of elastic scattering, seen as the shadow of inelastic absorption, is presented as a consequence of unitarity in the s-channel. Spins are neglected throughout this review, inasmuch as the asymptotic behavior in the very high-energy limit is the main concern here. In Section 4 some relevant theorems are recalled on the limiting behavior of hadron-scattering amplitudes at infinite energy. There is also a brief discussion on how asymptotically rising total cross sections imply scaling properties in the elastic differential cross sections. A quick survey of eikonal models is presented and their predictions are compared with ISR and SPS Collider data

IAEA Activities on Assessment of Partitioning Processes for Transmutation of Actinides

International Nuclear Information System (INIS)

Basak, Uddharan; Dyck, Gary R.

2010-01-01

In these days of nuclear renaissance, appropriate management of radioactive materials arising from the nuclear fuel cycle back end is one of the most important issues related to the long term sustainability of nuclear energy. The present practice in the back end of the closed fuel cycle involves the recovery of uranium and plutonium from spent fuel by the aqueous based PUREX process for reuse in reactors and the conditioning of reprocessing waste into a form suitable for long term storage. The waste contains mainly fission products and transuranium elements immobilized in glass matrix. However, advanced fuel cycles incorporating partitioning of actinides along with minor actinides and their subsequent transmutation (P and T) in a fast neutron energy spectrum could be proliferation resistant and at the same time reduce the waste radiotoxicity by many orders of magnitude. Considering the importance of P and T on long term sustainability, the International Atomic Energy Agency has initiated many collaborative research programs in this area as part of our advanced fuel cycle activities. This paper presents the current and future activities on advanced partitioning methods, highlighting the challenges associated with these processes, fuel manufacturing techniques suitable for integration with reprocessing facility and the IAEA's minor actinide data base (MADB), as a part of integrated nuclear fuel cycle information system (iNFCIS). (authors)

Managing total corporate electricity/energy market risks

International Nuclear Information System (INIS)

Henney, A.; Keers, G.

1998-01-01

The banking industry has developed a tool kit of very useful value at risk techniques for hedging risk, but these techniques must be adapted to the special complexities of the electricity market. This paper starts with a short history of the use of value-at-risk (VAR) techniques in banking risk management and then examines the specific and, in many instances, complex risk management challenges faced by electric companies from the behavior of prices in electricity markets and from the character of generation and electric retailing risks. The third section describes the main methods for making VAR calculations along with an analysis of their suitability for analyzing the risks of electricity portfolios and the case for using profit at risk and downside risk as measures of risk. The final section draws the threads together and explains how to look at managing total corporate electricity market risk, which is a big step toward managing total corporate energy market risk

Measurements of effective total macroscopic cross sections and effective energy of continuum beam

Energy Technology Data Exchange (ETDEWEB)

Kobayashi, Hisao [Rikkyo Univ., Yokosuka, Kanagawa (Japan). Inst. for Atomic Energy

1998-03-01

Two practically useful quantities are introduced in this study to characterize a continuum neutron beam and to describe transmission phenomena of the beam in field of quantitative neutron radiography: an effective energy instead of a peak energy or a mean energy of the spectrum and an effective total macroscopic (ETM) cross section instead of a total macroscopic (TM) cross section defined at the monochromatic energy. The effective energy was evaluated by means of energy dependence of ETM cross section. To realize the method a beam quality indicator (BQI) has been proposed recently. Several effective energies were measured for non-filtered, filtered neutron beams, and outputs of neutron guide tubes in world by the BQI. A thermal neutron beam and three beams modulated by Pb filters with different thicknesses are studied to measure ETM cross sections for various materials and summarized in a table. Validity of the effective energy determined by the BQI is discussed relating with ETM cross sections of materials. (author)

Matrix string partition function

CERN Document Server

Kostov, Ivan K; Kostov, Ivan K.; Vanhove, Pierre

1998-01-01

We evaluate quasiclassically the Ramond partition function of Euclidean D=10 U(N) super Yang-Mills theory reduced to a two-dimensional torus. The result can be interpreted in terms of free strings wrapping the space-time torus, as expected from the point of view of Matrix string theory. We demonstrate that, when extrapolated to the ultraviolet limit (small area of the torus), the quasiclassical expressions reproduce exactly the recently obtained expression for the partition of the completely reduced SYM theory, including the overall numerical factor. This is an evidence that our quasiclassical calculation might be exact.

An Association-Oriented Partitioning Approach for Streaming Graph Query

Directory of Open Access Journals (Sweden)

Yun Hao

2017-01-01

Full Text Available The volumes of real-world graphs like knowledge graph are increasing rapidly, which makes streaming graph processing a hot research area. Processing graphs in streaming setting poses significant challenges from different perspectives, among which graph partitioning method plays a key role. Regarding graph query, a well-designed partitioning method is essential for achieving better performance. Existing offline graph partitioning methods often require full knowledge of the graph, which is not possible during streaming graph processing. In order to handle this problem, we propose an association-oriented streaming graph partitioning method named Assc. This approach first computes the rank values of vertices with a hybrid approximate PageRank algorithm. After splitting these vertices with an adapted variant affinity propagation algorithm, the process order on vertices in the sliding window can be determined. Finally, according to the level of these vertices and their association, the partition where the vertices should be distributed is decided. We compare its performance with a set of streaming graph partition methods and METIS, a widely adopted offline approach. The results show that our solution can partition graphs with hundreds of millions of vertices in streaming setting on a large collection of graph datasets and our approach outperforms other graph partitioning methods.

Preliminary results of total kinetic energy modelling for neutron-induced fission

International Nuclear Information System (INIS)

Visan, I.; Giubega, G.; Tudora, A.

2015-01-01

The total kinetic energy as a function of fission fragments mass TKE(A) is an important quantity entering in prompt emission calculations. The experimentally distributions of TKE(A) are referring to a limited number of fission systems and incident energies. In the present paper, a preliminary model for TKE calculation in neutron induced fission system is presented. The range of fission fragments is chosen as in the Point by Point treatment. The model needs as input only mass excesses and deformation parameters taken from available nuclear databases being based on the following approximations: total excitation energy of fully accelerated fission fragments TXE is calculated from energy balance of neutron-induced fission systems as sum of the total excitation energy at scission E*sciss and deformation energy Edef. The deformation energy at scission is given by minimizing the potential energy at the scission configuration. At the scission point, the fission system is described by two spheroidal fragments nearly touching by a pre-scission distance or neck caused by the nuclear forces between fragments. Therefore, the Columbian repulsion depending on neck and, consequently, on the fragments deformation at scission, is essentially in TKE determination. An approximation is made based on the fission modes. For the very symmetric fission, the dominant super long channel is characterized by long distance between fragments leading to low TKE values. Due to magic and double-magic shells closure, the dominant S1 fission mode for pairs with heavy fragment mass AH around 130-134 is characterized by spherical heavy fragment shape and easily deformed light fragment. The nearly spherical shape of the complementary fragments are characterized by minimum distance, and consequently to maximum TKE values. The results obtained for TKE(A) are in good agreement with existing experimental data for many neutron induced fission systems, e.g. ''2''3''3&apos

Photosynthesis and assimilate partitioning characteristics of the coconut palm as observed by carbon-14 labelling

International Nuclear Information System (INIS)

Jayasekara, K.S.; Jayaswkara, K.S.; Bowen, G.D.

2000-01-01

A technique was developed on the use of carbon dioxide(carbon-14 labelled) rapid labelling of foliage and to ascertain photosynthesis and partitioning characteristics of labelled assimilate into other parts of the coconut palm. An eight-year-old Tall x Tall young coconut palm growing under field conditions at Bandirippuwa Estate and with six developing bunches , was selected for this study. The labelling was carried out on a bright sunny day and soil was at field capacity. Seventh leaf from the youngest open leaf was used for labelling with 5 mCi of sodium bi carbonate (Carbon-14 labelled). The results revealed that within 24 hours, 60% of the labelled assimilate was partitioned into other parts of the palm and at the end of the seventh day about 18% of the labelled assimilate still remained in the labelled leaf. Among the developing bunches fifth and sixth bunches from the youngest developing bunch received more labelled assimilate than young developing bunches above them. It was revealed that partitioning of assimilate into various ''sinks'' is determined by the developmental stage or activeness of the ''sink''. The proportion of C-14 labelled carbon assimilate, partitioned into developing bunches was substantially low compared to the total amount of labelled carbon fixed by the labelled leaf. Further, it was observed that partitioning of assimilated labelled carbon into the young leaves above, as well as the mature leaves below the labelled leaf. The complex vascular anatomy of the palms could be attributed to this pattern of partitioning of assimilates into upper and lower leaves from the labelled leaf

Prediction of Partition Coefficients of Organic Compounds for SPME/PDMS

Directory of Open Access Journals (Sweden)

Liao Hsuan-Yu

2016-01-01

Full Text Available The partition coefficients of 51 organic compounds between SPME/PDMS and gas were compiled from the literature sources in this study. The effect of physicochemical properties and descriptors on the partitioning process of partition coefficients was explicated by the correlation analysis. The PDMS-gas partition coefficients were well correlated to the molecular weight of organic compounds (r = 0.832, p < 0.05. An empirical model, consisting of the molecular weight and the polarizability, was developed to appropriately predict the partition coefficients of organic compounds. The empirical model for estimating the PDMS-gas partition coefficient will contribute to the practical applications of the SPME technique.

Assessment and Decomposition of Total Factor Energy Efficiency: An Evidence Based on Energy Shadow Price in China

Directory of Open Access Journals (Sweden)

Peihao Lai

2016-04-01

Full Text Available By adopting an energy-input based directional distance function, we calculated the shadow price of four types of energy (i.e., coal, oil, gas and electricity among 30 areas in China from 1998 to 2012. Moreover, a macro-energy efficiency index in China was estimated and divided into intra-provincial technical efficiency, allocation efficiency of energy input structure and inter-provincial energy allocation efficiency. It shows that total energy efficiency has decreased in recent years, where intra-provincial energy technical efficiency drops markedly and extensive mode of energy consumption rises. However, energy structure and allocation improves slowly. Meanwhile, lacking an integrated energy market leads to the loss of energy efficiency. Further improvement of market allocation and structure adjustment play a pivotal role in the increase of energy efficiency.

Variable length adjacent partitioning for PTS based PAPR reduction of OFDM signal

International Nuclear Information System (INIS)

Ibraheem, Zeyid T.; Rahman, Md. Mijanur; Yaakob, S. N.; Razalli, Mohammad Shahrazel; Kadhim, Rasim A.

2015-01-01

Peak-to-Average power ratio (PAPR) is a major drawback in OFDM communication. It leads the power amplifier into nonlinear region operation resulting into loss of data integrity. As such, there is a strong motivation to find techniques to reduce PAPR. Partial Transmit Sequence (PTS) is an attractive scheme for this purpose. Judicious partitioning the OFDM data frame into disjoint subsets is a pivotal component of any PTS scheme. Out of the existing partitioning techniques, adjacent partitioning is characterized by an attractive trade-off between cost and performance. With an aim of determining effects of length variability of adjacent partitions, we performed an investigation into the performances of a variable length adjacent partitioning (VL-AP) and fixed length adjacent partitioning in comparison with other partitioning schemes such as pseudorandom partitioning. Simulation results with different modulation and partitioning scenarios showed that fixed length adjacent partition had better performance compared to variable length adjacent partitioning. As expected, simulation results showed a slightly better performance of pseudorandom partitioning technique compared to fixed and variable adjacent partitioning schemes. However, as the pseudorandom technique incurs high computational complexities, adjacent partitioning schemes were still seen as favorable candidates for PAPR reduction

Variable length adjacent partitioning for PTS based PAPR reduction of OFDM signal

Energy Technology Data Exchange (ETDEWEB)

Ibraheem, Zeyid T.; Rahman, Md. Mijanur; Yaakob, S. N.; Razalli, Mohammad Shahrazel; Kadhim, Rasim A. [School of Computer and Communication Engineering, Universiti Malaysia Perlis, 02600 Arau, Perlis (Malaysia)

2015-05-15

Peak-to-Average power ratio (PAPR) is a major drawback in OFDM communication. It leads the power amplifier into nonlinear region operation resulting into loss of data integrity. As such, there is a strong motivation to find techniques to reduce PAPR. Partial Transmit Sequence (PTS) is an attractive scheme for this purpose. Judicious partitioning the OFDM data frame into disjoint subsets is a pivotal component of any PTS scheme. Out of the existing partitioning techniques, adjacent partitioning is characterized by an attractive trade-off between cost and performance. With an aim of determining effects of length variability of adjacent partitions, we performed an investigation into the performances of a variable length adjacent partitioning (VL-AP) and fixed length adjacent partitioning in comparison with other partitioning schemes such as pseudorandom partitioning. Simulation results with different modulation and partitioning scenarios showed that fixed length adjacent partition had better performance compared to variable length adjacent partitioning. As expected, simulation results showed a slightly better performance of pseudorandom partitioning technique compared to fixed and variable adjacent partitioning schemes. However, as the pseudorandom technique incurs high computational complexities, adjacent partitioning schemes were still seen as favorable candidates for PAPR reduction.

Phase Grouping Line Extraction Algorithm Using Overlapped Partition

Directory of Open Access Journals (Sweden)

WANG Jingxue

2015-07-01

Full Text Available Aiming at solving the problem of fracture at the discontinuities area and the challenges of line fitting in each partition, an innovative line extraction algorithm is proposed based on phase grouping using overlapped partition. The proposed algorithm adopted dual partition steps, which will generate overlapped eight partitions. Between the two steps, the middle axis in the first step coincides with the border lines in the other step. Firstly, the connected edge points that share the same phase gradients are merged into the line candidates, and fitted into line segments. Then to remedy the break lines at the border areas, the break segments in the second partition steps are refitted. The proposed algorithm is robust and does not need any parameter tuning. Experiments with various datasets have confirmed that the method is not only capable of handling the linear features, but also powerful enough in handling the curve features.

Analytical model for macromolecular partitioning during yeast cell division

International Nuclear Information System (INIS)

Kinkhabwala, Ali; Khmelinskii, Anton; Knop, Michael

2014-01-01

Asymmetric cell division, whereby a parent cell generates two sibling cells with unequal content and thereby distinct fates, is central to cell differentiation, organism development and ageing. Unequal partitioning of the macromolecular content of the parent cell — which includes proteins, DNA, RNA, large proteinaceous assemblies and organelles — can be achieved by both passive (e.g. diffusion, localized retention sites) and active (e.g. motor-driven transport) processes operating in the presence of external polarity cues, internal asymmetries, spontaneous symmetry breaking, or stochastic effects. However, the quantitative contribution of different processes to the partitioning of macromolecular content is difficult to evaluate. Here we developed an analytical model that allows rapid quantitative assessment of partitioning as a function of various parameters in the budding yeast Saccharomyces cerevisiae. This model exposes quantitative degeneracies among the physical parameters that govern macromolecular partitioning, and reveals regions of the solution space where diffusion is sufficient to drive asymmetric partitioning and regions where asymmetric partitioning can only be achieved through additional processes such as motor-driven transport. Application of the model to different macromolecular assemblies suggests that partitioning of protein aggregates and episomes, but not prions, is diffusion-limited in yeast, consistent with previous reports. In contrast to computationally intensive stochastic simulations of particular scenarios, our analytical model provides an efficient and comprehensive overview of partitioning as a function of global and macromolecule-specific parameters. Identification of quantitative degeneracies among these parameters highlights the importance of their careful measurement for a given macromolecular species in order to understand the dominant processes responsible for its observed partitioning

Dynamic slip of polydisperse linear polymers using partitioned plate

Science.gov (United States)

Ebrahimi, Marzieh; Konaganti, Vinod Kumar; Hatzikiriakos, Savvas G.

2018-03-01

The slip velocity of an industrial grade high molecular weight high-density polyethylene (HDPE) is studied in steady and dynamic shear experiments using a stress/strain controlled rotational rheometer equipped with a parallel partitioned plate geometry. Moreover, fluoroalkyl silane-based coating is used to understand the effect of surface energy on slip in steady and dynamic conditions. The multimode integral Kaye-Bernstein-Kearsley-Zapas constitutive model is applied to predict the transient shear response of the HDPE melt obtained from rotational rheometer. It is found that a dynamic slip model with a slip relaxation time is needed to adequately predict the experimental data at large shear deformations. Comparison of the results before and after coating shows that the slip velocity is largely affected by surface energy. Decreasing surface energy by coating increases slip velocity and decreases the slip relaxation time.

DWBA differential and total pair production cross sections for intermediate energy photons

International Nuclear Information System (INIS)

Selvaraju, C.; Bhullar, A.S.; Sud, K.K.

2001-01-01

We present in this communication the theoretical differential and total cross section for electron-positron pair creation by intermediate energy photons (5.0-10.0 MeV) on different targets (Z=1, 30, 50, 68, 82 and 92). The computed cross sections are in distorted wave Born approximation (DWBA) in point Coulomb potential. The database of the differential and total pair production cross sections is presented in tabulated as well as in graphical form and the interpolation of differential cross sections for different atomic numbers, positron and photon energies is discussed

Partition wall structure in spent fuel storage pool and construction method for the partition wall

International Nuclear Information System (INIS)

Izawa, Masaaki

1998-01-01

A partitioning wall for forming cask pits as radiation shielding regions by partitioning inside of a spent fuel storage pool is prepared by covering both surface of a concrete body by shielding metal plates. The metal plate comprises opposed plate units integrated by welding while sandwiching a metal frame as a reinforcing material for the concrete body, the lower end of the units is connected to a floor of a pool by fastening members, and concrete is set while using the metal plate of the units as a frame to form the concrete body. The shielding metal plate has a double walled structure formed by welding a lining plate disposed on the outer surface of the partition wall and a shield plate disposed to the inner side. Then the term for construction can be shortened, and the capacity for storing spent fuels can be increased. (N.H.)

Tangible and fungible energy: Hybrid energy market and currency system for total energy management. A Masdar City case study

International Nuclear Information System (INIS)

Sgouridis, Sgouris; Kennedy, Scott

2010-01-01

We propose the introduction of an energy-based parallel currency as a means to ease the transition to energy-conscious living. Abundant fossil energy resources mask the internal and external energy costs for casual energy consumers. This situation is challenging communities that draw a significant fraction of their primary energy consumption from renewable energy sources. The Masdar Energy Credit (MEC) system is a way of translating the fundamental aspects behind energy generation and usage into a tangible reality for all users with built-in fungibility to incentivize collectively sustainable behavior. The energy credit currency (ergo) corresponds with a chosen unit of energy so that the total amount of ergos issued equals the energy supply of the community. Ergos are distributed to users (residents, commercial entities, employees, and visitors) on a subscription basis and can be surrendered in exchange for the energy content of a service. A spot market pricing mechanism is introduced to relate ergos to 'fiat' currency using a continuously variable exchange rate to prevent depletion of the sustainable energy resource. The MEC system is intended to: (i) meet the sustainable energy balance targets of a community (ii) support peak shaving or load shifting goals, and (iii) raise energy awareness.

Spatial partitions systematize visual search and enhance target memory.

Science.gov (United States)

Solman, Grayden J F; Kingstone, Alan

2017-02-01

Humans are remarkably capable of finding desired objects in the world, despite the scale and complexity of naturalistic environments. Broadly, this ability is supported by an interplay between exploratory search and guidance from episodic memory for previously observed target locations. Here we examined how the environment itself may influence this interplay. In particular, we examined how partitions in the environment-like buildings, rooms, and furniture-can impact memory during repeated search. We report that the presence of partitions in a display, independent of item configuration, reliably improves episodic memory for item locations. Repeated search through partitioned displays was faster overall and was characterized by more rapid ballistic orienting in later repetitions. Explicit recall was also both faster and more accurate when displays were partitioned. Finally, we found that search paths were more regular and systematic when displays were partitioned. Given the ubiquity of partitions in real-world environments, these results provide important insights into the mechanisms of naturalistic search and its relation to memory.

Experiments and Recommendations for Partitioning Systems of Equations

Directory of Open Access Journals (Sweden)

Mafteiu-Scai Liviu Octavian

2014-06-01

Full Text Available Partitioning the systems of equations is a very important process when solving it on a parallel computer. This paper presents some criteria which leads to more efficient parallelization, that must be taken into consideration. New criteria added to preconditioning process by reducing average bandwidth are pro- posed in this paper. These new criteria lead to a combination between preconditioning and partitioning of systems equations, so no need two distinct algorithms/processes. In our proposed methods - where the preconditioning is done by reducing the average bandwidth- two directions were followed in terms of partitioning: for a given preconditioned system determining the best partitioning (or one as close and the second consist in achieving an adequate preconditioning, depending on a given/desired partitioning. A mixed method it is also proposed. Experimental results, conclusions and recommendations, obtained after parallel implementation of conjugate gradient on IBM BlueGene /P supercomputer- based on a synchronous model of parallelization- are also presented in this paper.

Partitional clustering algorithms

CERN Document Server

2015-01-01

This book summarizes the state-of-the-art in partitional clustering. Clustering, the unsupervised classification of patterns into groups, is one of the most important tasks in exploratory data analysis. Primary goals of clustering include gaining insight into, classifying, and compressing data. Clustering has a long and rich history that spans a variety of scientific disciplines including anthropology, biology, medicine, psychology, statistics, mathematics, engineering, and computer science. As a result, numerous clustering algorithms have been proposed since the early 1950s. Among these algorithms, partitional (nonhierarchical) ones have found many applications, especially in engineering and computer science. This book provides coverage of consensus clustering, constrained clustering, large scale and/or high dimensional clustering, cluster validity, cluster visualization, and applications of clustering. Examines clustering as it applies to large and/or high-dimensional data sets commonly encountered in reali...

French fuel cycle strategy and partitioning and transmutation programme

International Nuclear Information System (INIS)

Pradel, Ph.

2007-01-01

The global energy context pleads in favour of a sustainable development of nuclear energy since the demand for energy will likely increase, whereas resources will tend to get scarcer and the prospect of global warming will drive down the consumption of fossil fuel sources. How we deal with radioactive waste is crucial in this context. The production of nuclear energy in France has been associated, since its inception, with the optimisation of radioactive waste management, including the partitioning and the recycling of recoverable energetic materials. The public's concern regarding long-term waste management led the French government to prepare and pass the Law of December 1991, requesting in particular the study for fifteen years of solutions to minimising even further the quantity and the hazardousness of final waste, via partitioning and transmutation. At the end of these fifteen years of research, it is considered that partitioning techniques which have been validated on real solutions are at disposal. Indeed, aqueous process for separation of minor actinides from the PUREX raffinate has been brought to a point where there is reasonable assurance that industrial deployment can be successful. A key experiment has been the kilogram-scale successful trials in the CEA-Marcoule Atalante facility in 2005 and this result, together with the results obtained in the frame of the successive European projects, constitutes a considerable step forward. For transmutation, CEA has conducted programmes proving the feasibility of the elimination of minor actinides and fission products: fabrication of specific targets and fuels for transmutation tests in the HFR and Phenix reactors, neutronics and technology studies for critical reactors and ADS developments. Scenario studies have also allowed assessing the feasibility, at the level of cycle and fuel facilities, and the efficiency of transmutation in terms of the quantitative reduction of the final waste inventory depending of

Status of the French Research on Partitioning and Transmutation

International Nuclear Information System (INIS)

Warin, Dominique

2007-01-01

The global energy context pleads in favor of a sustainable development of nuclear energy since the demand for energy will likely increase, whereas resources will tend to get scarcer and the prospect of global warming will drive down the consumption of fossil fuel sources. How we deal with radioactive waste is crucial in this context. The production of nuclear energy in France has been associated, since its inception, with the optimization of radioactive waste management, including the partitioning and the recycling of recoverable energetic materials. The public's concern regarding the long-term waste management made the French Government prepare and pass the December 1991 Law, requesting in particular, the study for fifteen years of solutions for still minimizing the quantity and the hazardousness of final waste, via partitioning and transmutation. At the end of these fifteen years of research, it is considered that partitioning techniques, which have been validated on real solutions, are at disposal. Indeed, aqueous process for separation of minor actinides from the PUREX raffinate has been brought to a point where there is reasonable assurance that industrial deployment can be successful. A key experiment has been the successful kilogram scale trials in the CEA-Marcoule Atalante facility in 2005 and this result, together with the results obtained in the frame of the successive European projects, constitutes a considerable step forward. For transmutation, CEA has conducted programs proving the feasibility of the elimination of minor actinides and fission products: fabrication of specific targets and fuels for transmutation tests in the HFR and Phenix reactors, neutronics and technology studies for critical reactors and ADS developments. Scenario studies have also allowed assessing the feasibility, at the level of cycle and fuel facilities, and the efficiency of transmutation in terms of the quantitative reduction of the final waste inventory depending of the

Topological string partition functions as polynomials

International Nuclear Information System (INIS)

Yamaguchi, Satoshi; Yau Shingtung

2004-01-01

We investigate the structure of the higher genus topological string amplitudes on the quintic hypersurface. It is shown that the partition functions of the higher genus than one can be expressed as polynomials of five generators. We also compute the explicit polynomial forms of the partition functions for genus 2, 3, and 4. Moreover, some coefficients are written down for all genus. (author)

Partitioning autotrophic and heterotrophic respiration at Howland Forest

Science.gov (United States)

Carbone, Mariah; Hollinger, Dave; Davidson, Eric; Savage, Kathleen; Hughes, Holly

2015-04-01

Terrestrial ecosystem respiration is the combined flux of CO2 to the atmosphere from above- and below-ground, plant (autotrophic) and microbial (heterotrophic) sources. Flux measurements alone (e.g., from eddy covariance towers or soil chambers) cannot distinguish the contributions from these sources, which may change seasonally and respond differently to temperature and moisture. The development of improved process-based models that can predict how plants and microbes respond to changing environmental conditions (on seasonal, interannual, or decadal timescales) requires data from field observations and experiments to distinguish among these respiration sources. We tested the viability of partitioning of soil and ecosystem respiration into autotrophic and heterotrophic components with different approaches at the Howland Forest in central Maine, USA. These include an experimental manipulation using the classic root trenching approach and targeted ∆14CO2 measurements. For the isotopic measurements, we used a two-end member mass balance approach to determine the fraction of soil respiration from autotrophic and heterotrophic sources. When summed over the course of the growing season, the trenched chamber flux (heterotrophic) accounted for 53 ± 2% of the total control chamber flux. Over the four different 14C sampling periods, the heterotrophic component ranged from 35-55% and the autotrophic component ranges 45-65% of the total flux. Next steps will include assessing the value of the flux partitioning for constraining a simple ecosystem model using a model-data fusion approach to reduce uncertainties in estimates of NPP and simulation of future soil C stocks and fluxes.

Partitioning of selected antioxidants in mayonnaise

DEFF Research Database (Denmark)

Jacobsen, Charlotte; Schwarz, K.; Stockmann, H.

1999-01-01

This study examined partitioning of alpha-, beta-, and gamma- tocopherol and six polar antioxidants (Trolox, ferulic acid, caffeic acid, propyl gallate, gallic acid, and catechin) in mayonnaise. Partitioning of antioxidants between different phases was determined after separation of mayonnaise...... acid and catechin) to 83% (Trolox). Accordingly, proportions of 6% (Trolox) to 80% (gallic acid and catechin) were found in the aqueous phase. Similar trends were observed after dialysis. After ultracentrifugation, large proportions of polar antioxidants were found in the "emulsion phase...... by either (a) centrifugation + ultracentrifugation or (b) centrifugation + dialysis. Antioxidants partitioned in accordance with their chemical structure and polarity: Tocopherols were concentrated in the oil phase (93-96%), while the proportion of polar antioxidants in the oil phase ranged from 0% (gallic...

Partitioning of resveratrol between pentane and DMSO

DEFF Research Database (Denmark)

Shen, Chen; Stein, Paul C.; Klösgen-Buchkremer, Beate Maria

2015-01-01

Partitioning of trans-3,5,4′-trihydroxy-stilbene (resveratrol) between n-pentane and DMSO was investigated as a contribution to understand the interaction between resveratrol and biomembranes. In order to determine the partition coefficient P* of resveratrol between pentane and DMSO, resveratrol ...

Fat polygonal partitions with applications to visualization and embeddings

Directory of Open Access Journals (Sweden)

Mark de Berg

2013-12-01

Full Text Available Let T be a rooted and weighted tree, where the weight of any node is equal to the sum of the weights of its children. The popular Treemap algorithm visualizes such a tree as a hierarchical partition of a square into rectangles, where the area of the rectangle corresponding to any node in T is equal to the weight of that node. The aspect ratio of the rectangles in such a rectangular partition necessarily depends on the weights and can become arbitrarily high.We introduce a new hierarchical partition scheme, called a polygonal partition, which uses convex polygons rather than just rectangles. We present two methods for constructing polygonal partitions, both having guarantees on the worst-case aspect ratio of the constructed polygons; in particular, both methods guarantee a bound on the aspect ratio that is independent of the weights of the nodes.We also consider rectangular partitions with slack, where the areas of the rectangles may differ slightly from the weights of the corresponding nodes. We show that this makes it possible to obtain partitions with constant aspect ratio. This result generalizes to hyper-rectangular partitions in ℝd. We use these partitions with slack for embedding ultrametrics into d-dimensional Euclidean space:  we give a polylog(Δ-approximation algorithm for embedding n-point ultrametrics into ℝd with minimum distortion, where Δ denotes the spread of the metric. The previously best-known approximation ratio for this problem was polynomial in n. This is the first algorithm for embedding a non-trivial family of weighted-graph metrics into a space of constant dimension that achieves polylogarithmic approximation ratio.

High Pressure/Temperature Metal Silicate Partitioning of Tungsten

Science.gov (United States)

Shofner, G. A.; Danielson, L.; Righter, K.; Campbell, A. J.

2010-01-01

The behavior of chemical elements during metal/silicate segregation and their resulting distribution in Earth's mantle and core provide insight into core formation processes. Experimental determination of partition coefficients allows calculations of element distributions that can be compared to accepted values of element abundances in the silicate (mantle) and metallic (core) portions of the Earth. Tungsten (W) is a moderately siderophile element and thus preferentially partitions into metal versus silicate under many planetary conditions. The partitioning behavior has been shown to vary with temperature, silicate composition, oxygen fugacity, and pressure. Most of the previous work on W partitioning has been conducted at 1-bar conditions or at relatively low pressures, i.e. pressure. Predictions based on extrapolation of existing data and parameterizations suggest an increased pressured dependence on metal/ silicate partitioning of W at higher pressures 5. However, the dependence on pressure is not as well constrained as T, fO2, and silicate composition. This poses a problem because proposed equilibration pressures for core formation range from 27 to 50 GPa, falling well outside the experimental range, therefore requiring exptrapolation of a parametereized model. Higher pressure data are needed to improve our understanding of W partitioning at these more extreme conditions.

Total-factor energy efficiency of regions in Japan

Energy Technology Data Exchange (ETDEWEB)

Honma, Satoshi [Faculty of Economics, Kyushu Sangyo University, 2-3-1 Matsukadai, Higashi-ku, Fukuoka 813-8503 (Japan); Hu, Jin-Li [Institute of Business and Management, National Chiao Tung University (China)

2008-02-15

This study computes the regional total-factor energy efficiency (TFEE) in Japan by employing the data envelopment analysis (DEA). A dataset of 47 prefectures in Japan for the period 1993-2003 is constructed. There are 14 inputs, including three production factors (labor employment, private, and public capital stocks) and 11 energy sources (electric power for commercial and industrial use, electric power for residential use, gasoline, kerosene, heavy oil, light oil, city gas, butane gas, propane gas, coal, and coke). GDP is the sole output. Following Fukao and Yue [2000. Regional factor inputs and convergence in Japan - how much can we apply closed economy neoclassical growth models? Economic Review 51, 136-151 (in Japanese)], data on private and public capital stocks are extended. All the nominal variables are transformed into real variables, taking into consideration the 1995 price level. For kerosene, gas oil, heavy oil, butane gas, coal, and coke, there are a few prefectures with TFEEs less than 0.7. The five most inefficient prefectures are Niigata, Wakayama, Hyogo, Chiba, and Yamaguchi. Inland regions and most regions along the Sea of Japan are efficient in energy use. Most of the inefficient prefectures that are developing mainly upon energy-intensive industries are located along the Pacific Belt Zone. A U-shaped relation similar to the environmental Kuznets curve (EKC) is discovered between energy efficiency and per capita income for the regions in Japan. (author)

Total-factor energy efficiency of regions in Japan

International Nuclear Information System (INIS)

Honma, Satoshi; Hu, Jin-Li

2008-01-01

This study computes the regional total-factor energy efficiency (TFEE) in Japan by employing the data envelopment analysis (DEA). A dataset of 47 prefectures in Japan for the period 1993-2003 is constructed. There are 14 inputs, including three production factors (labor employment, private, and public capital stocks) and 11 energy sources (electric power for commercial and industrial use, electric power for residential use, gasoline, kerosene, heavy oil, light oil, city gas, butane gas, propane gas, coal, and coke). GDP is the sole output. Following Fukao and Yue [2000. Regional factor inputs and convergence in Japan-how much can we apply closed economy neoclassical growth models? Economic Review 51, 136-151 (in Japanese)], data on private and public capital stocks are extended. All the nominal variables are transformed into real variables, taking into consideration the 1995 price level. For kerosene, gas oil, heavy oil, butane gas, coal, and coke, there are a few prefectures with TFEEs less than 0.7. The five most inefficient prefectures are Niigata, Wakayama, Hyogo, Chiba, and Yamaguchi. Inland regions and most regions along the Sea of Japan are efficient in energy use. Most of the inefficient prefectures that are developing mainly upon energy-intensive industries are located along the Pacific Belt Zone. A U-shaped relation similar to the environmental Kuznets curve (EKC) is discovered between energy efficiency and per capita income for the regions in Japan

A computational study on the performance of a solar air-conditioning system with a partitioned storage tank

International Nuclear Information System (INIS)

Li, Z.F.; Sumathy, K.

2003-01-01

This paper reports the performance of a modified solar powered air-conditioning system, which is integrated with a partitioned storage tank. In addition, the effect of two main parameters that influence the system performance is presented and discussed. The study shows that by partitioning the storage tank, the solar cooling effect can be realized much earlier and could attain a total solar cooling COP of 12% higher compared to the conventional whole-tank mode. Simulation results also indicate that there exists an optimum ratio of storage tank volume over collector area

The total energy-momentum tensor for electromagnetic fields in a dielectric

Science.gov (United States)

Crenshaw, Michael E.

2017-08-01

�mv. Newtonian fluids can behave very much like dust with the same energy-momentum tensor. The energy and momentum conservation properties of light propagating in the vacuum were long-ago cast in the energy-momentum tensor formalism in terms of the electromagnetic energy density and electromagnetic momentum density. However, extrapolating the tensor theory of energy-momentum conservation for propagation of light in the vacuum to propagation of light in a simple linear dielectric medium has proven to be problematic and controversial. A dielectric medium is not "otherwise empty" and it is typically assumed that optically induced forces accelerate and decelerate nanoscopic material constituents of the dielectric. The corresponding material energy-momentum tensor is added to the electromagnetic energy-momentum tensor to form the total energy-momentum tensor, thereby ensuring that the total energy and the total momentum of the thermodynamically closed system remain constant in time.

Quantitative structure-property relationships for octanol-water partition coefficients of polybrominated diphenyl ethers.

Science.gov (United States)

Li, Linnan; Xie, Shaodong; Cai, Hao; Bai, Xuetao; Xue, Zhao

2008-08-01

Theoretical molecular descriptors were tested against logK(OW) values for polybrominated diphenyl ethers (PBDEs) using the Partial Least-Squares Regression method which can be used to analyze data with many variables and few observations. A quantitative structure-property relationship (QSPR) model was successfully developed with a high cross-validated value (Q(cum)(2)) of 0.961, indicating a good predictive ability and stability of the model. The predictive power of the QSPR model was further cross-validated. The values of logK(OW) for PBDEs are mainly governed by molecular surface area, energy of the lowest unoccupied molecular orbital and the net atomic charges on the oxygen atom. All these descriptors have been discussed to interpret the partitioning mechanism of PBDE chemicals. The bulk property of the molecules represented by molecular surface area is the leading factor, and K(OW) values increase with the increase of molecular surface area. Higher energy of the lowest unoccupied molecular orbital and higher net atomic charge on the oxygen atom of PBDEs result in smaller K(OW). The energy of the lowest unoccupied molecular orbital and the net atomic charge on PBDEs oxygen also play important roles in affecting the partition of PBDEs between octanol and water by influencing the interactions between PBDEs and solvent molecules.

Partitioning taxonomic diversity of aquatic insect assemblages and functional feeding groups in Neotropical Savanna headwater streams

Science.gov (United States)

Biological diversity can be divided into: alpha (α, local), beta (β, difference in assemblage composition among locals), and gamma (γ, total diversity). We assessed the partitioning of taxonomic diversity of Ephemeroptera, Plecoptera and Trichoptera (EPT) and of functional feedin...

Total, accessible and reserve wind energy resources in Bulgaria

International Nuclear Information System (INIS)

Ivanov, P.; Trifonova, L.

1996-01-01

The article is a part of the international project 'Bulgaria Country Study to Address Climate Change Inventory of the Greenhouse Gases Emission and Sinks Alternative Energy Balance and Technology Programs' sponsored by the Department of Energy, US. The 'total' average annual wind resources in Bulgaria determined on the basis wind velocity density for more than 100 meteorological stations are estimated on 125 000 TWh. For the whole territory the theoretical wind power potential is about 14200 GW. The 'accessible' wind resources are estimated on about 62000 TWh. The 'reserve' (or usable) wind resources are determined using 8 velocity intervals for WECS (Wind Energy Conversion Systems) operation, number and disposition of turbines, and the usable (3%) part of the territory. The annual reserve resources are estimated at about 21 - 33 TWh. The 'economically beneficial' wind resources (EBWR) are those part of the reserve resources which could be included in the country energy balance using specific technologies in specific time period. It is foreseen that at year 2010 the EBWR could reach 0.028 TWh. 7 refs., 2 tabs., 1 fig

Choosing the best partition of the output from a large-scale simulation

Energy Technology Data Exchange (ETDEWEB)

Challacombe, Chelsea Jordan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Casleton, Emily Michele [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-09-26

Data partitioning becomes necessary when a large-scale simulation produces more data than can be feasibly stored. The goal is to partition the data, typically so that every element belongs to one and only one partition, and store summary information about the partition, either a representative value plus an estimate of the error or a distribution. Once the partitions are determined and the summary information stored, the raw data is discarded. This process can be performed in-situ; meaning while the simulation is running. When creating the partitions there are many decisions that researchers must make. For instance, how to determine once an adequate number of partitions have been created, how are the partitions created with respect to dividing the data, or how many variables should be considered simultaneously. In addition, decisions must be made for how to summarize the information within each partition. Because of the combinatorial number of possible ways to partition and summarize the data, a method of comparing the different possibilities will help guide researchers into choosing a good partitioning and summarization scheme for their application.

Effects of Single Nucleotide Polymorphism Marker Density on Haplotype Block Partition

Directory of Open Access Journals (Sweden)

Sun Ah Kim

2016-12-01

Full Text Available Many researchers have found that one of the most important characteristics of the structure of linkage disequilibrium is that the human genome can be divided into non-overlapping block partitions in which only a small number of haplotypes are observed. The location and distribution of haplotype blocks can be seen as a population property influenced by population genetic events such as selection, mutation, recombination and population structure. In this study, we investigate the effects of the density of markers relative to the full set of all polymorphisms in the region on the results of haplotype partitioning for five popular haplotype block partition methods: three methods in Haploview (confidence interval, four gamete test, and solid spine, MIG++ implemented in PLINK 1.9 and S-MIG++. We used several experimental datasets obtained by sampling subsets of single nucleotide polymorphism (SNP markers of chromosome 22 region in the 1000 Genomes Project data and also the HapMap phase 3 data to compare the results of haplotype block partitions by five methods. With decreasing sampling ratio down to 20% of the original SNP markers, the total number of haplotype blocks decreases and the length of haplotype blocks increases for all algorithms. When we examined the marker-independence of the haplotype block locations constructed from the datasets of different density, the results using below 50% of the entire SNP markers were very different from the results using the entire SNP markers. We conclude that the haplotype block construction results should be used and interpreted carefully depending on the selection of markers and the purpose of the study.

Separation of soil respiration: a site-specific comparison of partition methods

Science.gov (United States)

Comeau, Louis-Pierre; Lai, Derrick Y. F.; Jinglan Cui, Jane; Farmer, Jenny

2018-06-01

Without accurate data on soil heterotrophic respiration (Rh), assessments of soil carbon (C) sequestration rate and C balance are challenging to produce. Accordingly, it is essential to determine the contribution of the different sources of the total soil CO2 efflux (Rs) in different ecosystems, but to date, there are still many uncertainties and unknowns regarding the soil respiration partitioning procedures currently available. This study compared the suitability and relative accuracy of five different Rs partitioning methods in a subtropical forest: (1) regression between root biomass and CO2 efflux, (2) lab incubations with minimally disturbed soil microcosm cores, (3) root exclusion bags with hand-sorted roots, (4) root exclusion bags with intact soil blocks and (5) soil δ13C-CO2 natural abundance. The relationship between Rh and soil moisture and temperature was also investigated. A qualitative evaluation table of the partition methods with five performance parameters was produced. The Rs was measured weekly from 3 February to 19 April 2017 and found to average 6.1 ± 0.3 Mg C ha-1 yr-1. During this period, the Rh measured with the in situ mesh bags with intact soil blocks and hand-sorted roots was estimated to contribute 49 ± 7 and 79 ± 3 % of Rs, respectively. The Rh percentages estimated with the root biomass regression, microcosm incubation and δ13C-CO2 natural abundance were 54 ± 41, 8-17 and 61 ± 39 %, respectively. Overall, no systematically superior or inferior Rs partition method was found. The paper discusses the strengths and weaknesses of each technique with the conclusion that combining two or more methods optimizes Rh assessment reliability.

Why partition nuclear waste

International Nuclear Information System (INIS)

Cohen, J.J.

1976-01-01

A cursory review of literature dealing with various separatory processes involved in the handling of high-level liquid nuclear waste discloses that, for the most part, discussion centers on separation procedures and methodology for handling the resulting fractions, particularly the actinide wastes. There appears to be relatively little discussion on the incentives or motivations for performing these separations in the first place. Discussion is often limited to the assumption that we must separate out ''long-term'' from our ''short-term'' management problems. This paper deals with that assumption and devotes primary attention to the question of ''why partition waste'' rather than the question of ''how to partition waste'' or ''what to do with the segregated waste.''

Combinatorics and complexity of partition functions

CERN Document Server

Barvinok, Alexander

2016-01-01

Partition functions arise in combinatorics and related problems of statistical physics as they encode in a succinct way the combinatorial structure of complicated systems. The main focus of the book is on efficient ways to compute (approximate) various partition functions, such as permanents, hafnians and their higher-dimensional versions, graph and hypergraph matching polynomials, the independence polynomial of a graph and partition functions enumerating 0-1 and integer points in polyhedra, which allows one to make algorithmic advances in otherwise intractable problems. The book unifies various, often quite recent, results scattered in the literature, concentrating on the three main approaches: scaling, interpolation and correlation decay. The prerequisites include moderate amounts of real and complex analysis and linear algebra, making the book accessible to advanced math and physics undergraduates. .

A novel partitioning method for block-structured adaptive meshes

Science.gov (United States)

Fu, Lin; Litvinov, Sergej; Hu, Xiangyu Y.; Adams, Nikolaus A.

2017-07-01

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

A novel partitioning method for block-structured adaptive meshes

Energy Technology Data Exchange (ETDEWEB)

Fu, Lin, E-mail: lin.fu@tum.de; Litvinov, Sergej, E-mail: sergej.litvinov@aer.mw.tum.de; Hu, Xiangyu Y., E-mail: xiangyu.hu@tum.de; Adams, Nikolaus A., E-mail: nikolaus.adams@tum.de

2017-07-15

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

Evapotranspiration estimation using a parameter-parsimonious energy partition model over Amazon basin

Science.gov (United States)

Xu, D.; Agee, E.; Wang, J.; Ivanov, V. Y.

2017-12-01

The increased frequency and severity of droughts in the Amazon region have emphasized the potential vulnerability of the rainforests to heat and drought-induced stresses, highlighting the need to reduce the uncertainty in estimates of regional evapotranspiration (ET) and quantify resilience of the forest. Ground-based observations for estimating ET are resource intensive, making methods based on remotely sensed observations an attractive alternative. Several methodologies have been developed to estimate ET from satellite data, but challenges remained in model parameterization and satellite limited coverage reducing their utility for monitoring biodiverse regions. In this work, we apply a novel surface energy partition method (Maximum Entropy Production; MEP) based on Bayesian probability theory and nonequilibrium thermodynamics to derive ET time series using satellite data for Amazon basin. For a large, sparsely monitored region such as the Amazon, this approach has the advantage methods of only using single level measurements of net radiation, temperature, and specific humidity data. Furthermore, it is not sensitive to the uncertainty of the input data and model parameters. In this first application of MEP theory for a tropical forest biome, we assess its performance at various spatiotemporal scales against a diverse field data sets. Specifically, the objective of this work is to test this method using eddy flux data for several locations across the Amazonia at sub-daily, monthly, and annual scales and compare the new estimates with those using traditional methods. Analyses of the derived ET time series will contribute to reducing the current knowledge gap surrounding the much debated response of the Amazon Basin region to droughts and offer a template for monitoring the long-term changes in global hydrologic cycle due to anthropogenic and natural causes.

Achievement report on research and development in the Sunshine Project in fiscal 1978. Studies on a hydrogen energy total system; 1978 nendo suiso energy total system no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1979-03-01

Analysis was made on timing, patterns and scales of introducing hydrogen energy into the Japan's total energy system, and case studies were made on transfer of the comprehensive systems that can be realized in the years of 1985, 2000 and 2025. The basic conception for the analytic method employed a method to analyze and present theoretically the conditions in which prerequisites or results of the estimation can be established, rather than intending elucidation of the estimation itself. An energy model was used for the theoretical means thereof. The objective function to be optimized was assumed to maximize (estimate over the planned period of time) the total effectiveness of the hydrogen energy system converted into the present value being given appropriate discount. The economic performance measures for different secondary energies working as the comparison measures are the limiting production cost of each energy. A consideration was given to the point that the electrolytic hydrogen cannot compete with that made by using the thermo-chemical method (if developed successfully) using heat from high-temperature gas reactor if the fossil fuel price rises sharply. Considerations are also required in replaceability of hydrogen energy with other energies, and hydrogen utilization in petroleum refining. (NEDO)

Evaluating the influence of plant-specific physiological parameterizations on the partitioning of land surface energy fluxes

Science.gov (United States)

Sulis, Mauro; Langensiepen, Matthias; Shrestha, Prabhakar; Schickling, Anke; Simmer, Clemens; Kollet, Stefan

2015-04-01

Vegetation has a significant influence on the partitioning of radiative forcing, the spatial and temporal variability of soil water and soil temperature. Therefore plant physiological properties play a key role in mediating and amplifying interactions and feedback mechanisms in the soil-vegetation-atmosphere continuum. Because of the direct impact on latent heat fluxes, these properties may also influence weather generating processes, such as the evolution of the atmospheric boundary layer (ABL). In land surface models, plant physiological properties are usually obtained from literature synthesis by unifying several plant/crop species in predefined vegetation classes. In this work, crop-specific physiological characteristics, retrieved from detailed field measurements, are included in the bio-physical parameterization of the Community Land Model (CLM), which is a component of the Terrestrial Systems Modeling Platform (TerrSysMP). The measured set of parameters for two typical European mid-latitudinal crops (sugar beet and winter wheat) is validated using eddy covariance measurements (sensible heat and latent heat) over multiple years from three measurement sites located in the North Rhine-Westphalia region, Germany. We found clear improvements of CLM simulations, when using the crop-specific physiological characteristics of the plants instead of the generic crop type when compared to the measurements. In particular, the increase of latent heat fluxes in conjunction with decreased sensible heat fluxes as simulated by the two new crop-specific parameter sets leads to an improved quantification of the diurnal energy partitioning. These findings are cross-validated using estimates of gross primary production extracted from net ecosystem exchange measurements. This independent analysis reveals that the better agreement between observed and simulated latent heat using the plant-specific physiological properties largely stems from an improved simulation of the

The influence of hydrogen bonding on partition coefficients

Science.gov (United States)

Borges, Nádia Melo; Kenny, Peter W.; Montanari, Carlos A.; Prokopczyk, Igor M.; Ribeiro, Jean F. R.; Rocha, Josmar R.; Sartori, Geraldo Rodrigues

2017-02-01

This Perspective explores how consideration of hydrogen bonding can be used to both predict and better understand partition coefficients. It is shown how polarity of both compounds and substructures can be estimated from measured alkane/water partition coefficients. When polarity is defined in this manner, hydrogen bond donors are typically less polar than hydrogen bond acceptors. Analysis of alkane/water partition coefficients in conjunction with molecular electrostatic potential calculations suggests that aromatic chloro substituents may be less lipophilic than is generally believed and that some of the effect of chloro-substitution stems from making the aromatic π-cloud less available to hydrogen bond donors. Relationships between polarity and calculated hydrogen bond basicity are derived for aromatic nitrogen and carbonyl oxygen. Aligned hydrogen bond acceptors appear to present special challenges for prediction of alkane/water partition coefficients and this may reflect `frustration' of solvation resulting from overlapping hydration spheres. It is also shown how calculated hydrogen bond basicity can be used to model the effect of aromatic aza-substitution on octanol/water partition coefficients.

Compactified webs and domain wall partition functions

Energy Technology Data Exchange (ETDEWEB)

Shabbir, Khurram [Government College University, Department of Mathematics, Lahore (Pakistan)

2017-04-15

In this paper we use the topological vertex formalism to calculate a generalization of the ''domain wall'' partition function of M-strings. This generalization allows calculation of partition function of certain compactified webs using a simple gluing algorithm similar to M-strings case. (orig.)

High-temperature partition functions, specific heats and spectral radiative properties of diatomic molecules with an improved calculation of energy levels

Science.gov (United States)

Qin, Z.; Zhao, J. M.; Liu, L. H.

2018-05-01

The level energies of diatomic molecules calculated by the frequently used Dunham expansion will become less accurate for high-lying vibrational and rotational levels. In this paper, the potential curves for the lower-lying electronic states with accurate spectroscopic constants are reconstructed using the Rydberg-Klein-Rees (RKR) method, which are extrapolated to the dissociation limits by fitting of the theoretical potentials, and the rest of the potential curves are obtained from the ab-initio results in the literature. Solving the rotational dependence of the radial Schrödinger equation over the obtained potential curves, we determine the rovibrational level energies, which are then used to calculate the equilibrium and non-equilibrium thermodynamic properties of N2, N2+, NO, O2, CN, C2, CO and CO+. The partition functions and the specific heats are systematically validated by available data in the literature. Finally, we calculate the radiative source strengths of diatomic molecules in thermodynamic equilibrium, which agree well with the available values in the literature. The spectral radiative intensities for some diatomic molecules in thermodynamic non-equilibrium are calculated and validated by available experimental data.

Total Energy of Charged Black Holes in Einstein-Maxwell-Dilaton-Axion Theory

Directory of Open Access Journals (Sweden)

Murat Korunur

2012-01-01

Full Text Available We focus on the energy content (including matter and fields of the Møller energy-momentum complex in the framework of Einstein-Maxwell-Dilaton-Axion (EMDA theory using teleparallel gravity. We perform the required calculations for some specific charged black hole models, and we find that total energy distributions associated with asymptotically flat black holes are proportional to the gravitational mass. On the other hand, we see that the energy of the asymptotically nonflat black holes diverge in a limiting case.

Partition function expansion on region graphs and message-passing equations

International Nuclear Information System (INIS)

Zhou, Haijun; Wang, Chuang; Xiao, Jing-Qing; Bi, Zedong

2011-01-01

Disordered and frustrated graphical systems are ubiquitous in physics, biology, and information science. For models on complete graphs or random graphs, deep understanding has been achieved through the mean-field replica and cavity methods. But finite-dimensional 'real' systems remain very challenging because of the abundance of short loops and strong local correlations. A statistical mechanics theory is constructed in this paper for finite-dimensional models based on the mathematical framework of the partition function expansion and the concept of region graphs. Rigorous expressions for the free energy and grand free energy are derived. Message-passing equations on the region graph, such as belief propagation and survey propagation, are also derived rigorously. (letter)

Structural analysis of the ParR/parC plasmid partition complex

DEFF Research Database (Denmark)

Møller-Jensen, Jakob; Ringgaard, Simon; Mercogliano, Christopher P

2007-01-01

Accurate DNA partition at cell division is vital to all living organisms. In bacteria, this process can involve partition loci, which are found on both chromosomes and plasmids. The initial step in Escherichia coli plasmid R1 partition involves the formation of a partition complex between the DNA...

Interfacial thermodynamics and electrochemistry of protein partitioning in two-phase systems

NARCIS (Netherlands)

Fraaije, J.G.E.M.

1987-01-01

The subject of this thesis is protein partition between an aqueous salt solution and a surface or an apolair liquid and the concomitant co-partition of small ions. The extent of co-partitioning determines the charge regulation in the protein partitioning process.

Chapters 2 and 3

An Evaluation of the Partitioning of Sudan and US Contribution

OpenAIRE

Adeleke, Oniya Olusegun

2015-01-01

A country is partitioned when a region within her existing boundary breaks its legitimate bonds with such a country or state in order to become an independent state in its own right. This does not include, independence after colonization, unilateral declaration of independence or de facto control of a region/territory by militias. This thesis evaluates the impact of US diplomatic engagement in Sudan. Why did the US spend her resources, time and energy to bring about the division of Sudan? Was...

Time and Space Partitioning the EagleEye Reference Misson

Science.gov (United States)

Bos, Victor; Mendham, Peter; Kauppinen, Panu; Holsti, Niklas; Crespo, Alfons; Masmano, Miguel; de la Puente, Juan A.; Zamorano, Juan

2013-08-01

We discuss experiences gained by porting a Software Validation Facility (SVF) and a satellite Central Software (CSW) to a platform with support for Time and Space Partitioning (TSP). The SVF and CSW are part of the EagleEye Reference mission of the European Space Agency (ESA). As a reference mission, EagleEye is a perfect candidate to evaluate practical aspects of developing satellite CSW for and on TSP platforms. The specific TSP platform we used consists of a simulated LEON3 CPU controlled by the XtratuM separation micro-kernel. On top of this, we run five separate partitions. Each partition runs its own real-time operating system or Ada run-time kernel, which in turn are running the application software of the CSW. We describe issues related to partitioning; inter-partition communication; scheduling; I/O; and fault-detection, isolation, and recovery (FDIR).

Prediction of Partition Coefficients of Organic Compounds for SPME/PDMS

OpenAIRE

Liao Hsuan-Yu; Huang Miao-Ling; Lu Yu-Ting; Chao Keh-Ping

2016-01-01

The partition coefficients of 51 organic compounds between SPME/PDMS and gas were compiled from the literature sources in this study. The effect of physicochemical properties and descriptors on the partitioning process of partition coefficients was explicated by the correlation analysis. The PDMS-gas partition coefficients were well correlated to the molecular weight of organic compounds (r = 0.832, p < 0.05). An empirical model, consisting of the molecular weight and the polarizability, was ...

Relation between total shock energy and mortality in patients with implantable cardioverter-defibrillator.

Science.gov (United States)

Tenma, Taro; Yokoshiki, Hisashi; Mitsuyama, Hirofumi; Watanabe, Masaya; Mizukami, Kazuya; Kamada, Rui; Takahashi, Masayuki; Sasaki, Ryo; Maeno, Motoki; Okamoto, Kaori; Chiba, Yuki; Anzai, Toshihisa

2018-05-15

Implantable Cardioverter-Defibrillator (ICD) shocks have been associated with mortality. However, no study has examined the relation between total shock energy and mortality. The aim of this study is to assess the association of total shock energy with mortality, and to determine the patients who are at risk of this association. Data from 316 consecutive patients who underwent initial ICD implantation in our hospital between 2000 and 2011 were retrospectively studied. We collected shock energy for 3 years from the ICD implantation, and determined the relation of shock energy on mortality after adjusting confounding factors. Eighty-seven ICD recipients experienced shock(s) within 3 years from ICD implantation and 43 patients had died during the follow-up. The amount of shock energy was significantly associated with all-cause death [adjusted hazard ratio (HR) 1.26 (per 100 joule increase), p energy accumulation (≥182 joule) was lower (p energy accumulation (energy accumulation and all-cause death was remarkable in the patients with low left ventricular ejection fraction (LVEF ≤40%) or atrial fibrillation (AF). Increase of shock energy was related to mortality in ICD recipients. This relation was evident in patients with low LVEF or AF. Copyright © 2018 Elsevier B.V. All rights reserved.

A multisite interaction expansion of the total energy in metals

International Nuclear Information System (INIS)

Sowa, E.C.; Gonis, A.

1994-01-01

The local-density approximation provides a proper setting for the decomposition of total energy into many-body (many-atom) contributions. Multiple scattering theory in turn provides a convenient framework for carrying out this process. We illustrate this concept with calculations on a linear chain of atoms in bulk copper

The total flow concept for geothermal energy conversion

Science.gov (United States)

Austin, A. L.

1974-01-01

A geothermal development project has been initiated at the Lawrence Livermore Laboratory (LLL) to emphasize development of methods for recovery and conversion of the energy in geothermal deposits of hot brines. Temperatures of these waters vary from 150 C to more than 300 C with dissolved solids content ranging from less than 0.1% to over 25% by weight. Of particular interest are the deposits of high-temperature/high-salinity brines, as well as less saline brines, known to occur in the Salton Trough of California. Development of this resource will depend on resolution of the technical problems of brine handling, scale and precipitation control, and corrosion/erosion resistant systems for efficient conversion of thermal to electrical energy. Research experience to date has shown these problems to be severe. Hence, the LLL program emphasizes development of an entirely different approach called the Total Flow concept.

The selective partitioning of the oligomers of polyethoxylated surfactant mixtures between interface and oil and water bulk phases.

Science.gov (United States)

Graciaa, Alain; Andérez, José; Bracho, Carlos; Lachaise, Jean; Salager, Jean-Louis; Tolosa, Laura; Ysambertt, Fredy

2006-11-16

Because their affinities for the oil and water phases vary considerably with the number of ethylene oxide units in their hydrophilic group, the ethoxylated nonionic species occurring in commercial products tend to behave in a non-collective way, with the low ethoxylation oligomers partitioning mostly in the oil phase. This results in a surfactant mixture at the interface which is more hydrophilic than the one which was introduced in the system in the first place. The pseudophase model is used to study the partitioning in Winsor III type systems, and to estimate the deviation of the interfacial mixture composition from the overall one. New results indicate that the selective partitioning into the oil phase increases when the oil phase becomes aromatic, when the total surfactant concentration decreases and when the water-to-oil ratio decreases.

Industry-level total-factor energy efficiency in developed countries: A Japan-centered analysis

International Nuclear Information System (INIS)

Honma, Satoshi; Hu, Jin-Li

2014-01-01

Highlights: • This study compares Japan with other developed countries for energy efficiency at the industry level. • We compute the total-factor energy efficiency (TFEE) for industries in 14 developed countries in 1995–2005. • Energy conservation can be further optimized in Japan’s industry sector. • Japan experienced a slight decrease in the weighted TFEE from 0.986 in 1995 to 0.927 in 2005. • Japan should adapt energy conservation technologies from the primary benchmark countries: Germany, UK, and USA. - Abstract: Japan’s energy security is more vulnerable today than it was before the Fukushima Daiichi nuclear power plant accident in March 2011. To alleviate its energy vulnerability, Japan has no choice but to improve energy efficiency. To aid in this improvement, this study compares Japan’s energy efficiency at the industry level with that of other developed countries. We compute the total-factor energy efficiency (TFEE) of industries in 14 developed countries for 1995–2005 using data envelopment analysis. We use four inputs: labor, capital stock, energy, and non-energy intermediate inputs. Value added is the only relevant output. Results indicate that Japan can further optimize energy conservation because it experienced only a marginal decrease in the weighted TFEE, from 0.986 in 1995 to 0.927 in 2005. To improve inefficient industries, Japan should adapt energy conservation technologies from benchmark countries such as Germany, the United Kingdom, and the United States

Phylogenetic systematics and biogeography of hummingbirds: Bayesian and maximum likelihood analyses of partitioned data and selection of an appropriate partitioning strategy.

Science.gov (United States)

McGuire, Jimmy A; Witt, Christopher C; Altshuler, Douglas L; Remsen, J V

2007-10-01

Hummingbirds are an important model system in avian biology, but to date the group has been the subject of remarkably few phylogenetic investigations. Here we present partitioned Bayesian and maximum likelihood phylogenetic analyses for 151 of approximately 330 species of hummingbirds and 12 outgroup taxa based on two protein-coding mitochondrial genes (ND2 and ND4), flanking tRNAs, and two nuclear introns (AK1 and BFib). We analyzed these data under several partitioning strategies ranging between unpartitioned and a maximum of nine partitions. In order to select a statistically justified partitioning strategy following partitioned Bayesian analysis, we considered four alternative criteria including Bayes factors, modified versions of the Akaike information criterion for small sample sizes (AIC(c)), Bayesian information criterion (BIC), and a decision-theoretic methodology (DT). Following partitioned maximum likelihood analyses, we selected a best-fitting strategy using hierarchical likelihood ratio tests (hLRTS), the conventional AICc, BIC, and DT, concluding that the most stringent criterion, the performance-based DT, was the most appropriate methodology for selecting amongst partitioning strategies. In the context of our well-resolved and well-supported phylogenetic estimate, we consider the historical biogeography of hummingbirds using ancestral state reconstructions of (1) primary geographic region of occurrence (i.e., South America, Central America, North America, Greater Antilles, Lesser Antilles), (2) Andean or non-Andean geographic distribution, and (3) minimum elevational occurrence. These analyses indicate that the basal hummingbird assemblages originated in the lowlands of South America, that most of the principle clades of hummingbirds (all but Mountain Gems and possibly Bees) originated on this continent, and that there have been many (at least 30) independent invasions of other primary landmasses, especially Central America.

Construction of Scaling Partitions of Unity

Directory of Open Access Journals (Sweden)

Ole Christensen

2017-11-01

Full Text Available Partitions of unity in ℝd formed by (matrix scales of a fixed function appear in many parts of harmonic analysis, e.g., wavelet analysis and the analysis of Triebel-Lizorkin spaces. We give a simple characterization of the functions and matrices yielding such a partition of unity. For expanding matrices, the characterization leads to easy ways of constructing appropriate functions with attractive properties like high regularity and small support. We also discuss a class of integral transforms that map functions having the partition of unity property to functions with the same property. The one-dimensional version of the transform allows a direct definition of a class of nonuniform splines with properties that are parallel to those of the classical B-splines. The results are illustrated with the construction of dual pairs of wavelet frames.

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling

Science.gov (United States)

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C.; Joyce, Kevin P.; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing (R=0.98 for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining R=0.73 compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to R=0.93. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple pK_{ {a}} correction improved agreement with experiment from R=0.54 to R=0.66, despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.

Science.gov (United States)

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C; Joyce, Kevin P; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing ([Formula: see text] for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining [Formula: see text] compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to [Formula: see text]. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple [Formula: see text] correction improved agreement with experiment from [Formula: see text] to [Formula: see text], despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

BPS/CFT Correspondence III: Gauge Origami Partition Function and qq-Characters

Science.gov (United States)

Nekrasov, Nikita

2018-03-01

We study generalized gauge theories engineered by taking the low energy limit of the Dp branes wrapping {X × {T}^{p-3}}, with X a possibly singular surface in a Calabi-Yau fourfold Z. For toric Z and X the partition function can be computed by localization, making it a statistical mechanical model, called the gauge origami. The random variables are the ensembles of Young diagrams. The building block of the gauge origami is associated with a tetrahedron, whose edges are colored by vector spaces. We show the properly normalized partition function is an entire function of the Coulomb moduli, for generic values of the {Ω} -background parameters. The orbifold version of the theory defines the qq-character operators, with and without the surface defects. The analytic properties are the consequence of a relative compactness of the moduli spaces M({ěc n}, k) of crossed and spiked instantons, demonstrated in "BPS/CFT correspondence II: instantons at crossroads, moduli and compactness theorem".

Resonance capture reactions with a total energy detector

International Nuclear Information System (INIS)

Macklin, R.L.

1978-01-01

The determination of nuclear reaction rates is considered; the Moxon--Rae detector and pulse height weighting are reviewed. This method has been especially useful in measuring (n,γ) cross sections. Strength functions and level spacing can be derived from (n,γ) yields. The relevance of neutron capture data to astrophysical nucleosynthesis is pointed out. The total gamma energy detection method has been applied successfully to radiative neutron capture cross section measurements. A bibliography of most of the published papers reporting neutron capture cross sections measured by the pulse height weighting technique is included. 55 references

Probabilistic Decision Based Block Partitioning for Future Video Coding

KAUST Repository

Wang, Zhao

2017-11-29

In the latest Joint Video Exploration Team development, the quadtree plus binary tree (QTBT) block partitioning structure has been proposed for future video coding. Compared to the traditional quadtree structure of High Efficiency Video Coding (HEVC) standard, QTBT provides more flexible patterns for splitting the blocks, which results in dramatically increased combinations of block partitions and high computational complexity. In view of this, a confidence interval based early termination (CIET) scheme is proposed for QTBT to identify the unnecessary partition modes in the sense of rate-distortion (RD) optimization. In particular, a RD model is established to predict the RD cost of each partition pattern without the full encoding process. Subsequently, the mode decision problem is casted into a probabilistic framework to select the final partition based on the confidence interval decision strategy. Experimental results show that the proposed CIET algorithm can speed up QTBT block partitioning structure by reducing 54.7% encoding time with only 1.12% increase in terms of bit rate. Moreover, the proposed scheme performs consistently well for the high resolution sequences, of which the video coding efficiency is crucial in real applications.

Unraveling Climatic Wind and Wave Trends in the Red Sea Using Wave Spectra Partitioning

KAUST Repository

Langodan, Sabique

2017-12-27

The wind and wave climatology of the Red Sea is derived from a validated 30-year high-resolution model simulation. After describing the relevant features of the basin, the main wind and wave systems are identified by using an innovative spectral partition technique to explain their genesis and characteristics. In the northern part of the sea, wind and waves of the same intensity are present throughout the year, while the central and southern zones are characterized by a marked seasonality. The partition technique allows the association of a general decrease in the energy of the different wave systems with a specific weather pattern. The most intense decrease is found in the northern storms, which are associated with meteorological pulses from the Mediterranean Sea.

Unraveling Climatic Wind and Wave Trends in the Red Sea Using Wave Spectra Partitioning

KAUST Repository

Langodan, Sabique; Cavaleri, Luigi; Pomaro, Angela; Portilla, Jesus; Abualnaja, Yasser; Hoteit, Ibrahim

2017-01-01

The wind and wave climatology of the Red Sea is derived from a validated 30-year high-resolution model simulation. After describing the relevant features of the basin, the main wind and wave systems are identified by using an innovative spectral partition technique to explain their genesis and characteristics. In the northern part of the sea, wind and waves of the same intensity are present throughout the year, while the central and southern zones are characterized by a marked seasonality. The partition technique allows the association of a general decrease in the energy of the different wave systems with a specific weather pattern. The most intense decrease is found in the northern storms, which are associated with meteorological pulses from the Mediterranean Sea.

Development of the four group partitioning process at JAERI

International Nuclear Information System (INIS)

Kubota, Masumitsu; Morita, Yasuji; Yamaguchi, Isoo; Yamagishi, Isao; Fujiwara, T.; Watanabe, Masayuki; Mizoguchi, Kenichi; Tatsugae, Ryozo

1999-01-01

At JAERI, development of a partitioning method started about 24 years ago. From 1973 to 1984, a partitioning process was developed for separating elements in HLLW into 3 groups; TRU, Sr-Cs and others. The partitioning process consisted of three steps; solvent extraction of U and Pu with TBP, solvent extraction of Am and Cm with DIDPA, and adsorption of Sr and Cs with inorganic ion exchangers. The process was demonstrated with real HLLW. Since 1985, a four group partitioning process has been developed, in which a step for separating the Tc-PGM group was developed in addition to the three group separation. Effective methods for separating TRU, especially Np, and Tc have been developed. In this paper, the flow sheet of the four group partitioning and the results of tests with simulated and real HLLW in NUCEF hot-cell are shown. (J.P.N.)

Chaos synchronization basing on symbolic dynamics with nongenerating partition.

Science.gov (United States)

Wang, Xingyuan; Wang, Mogei; Liu, Zhenzhen

2009-06-01

Using symbolic dynamics and information theory, we study the information transmission needed for synchronizing unidirectionally coupled oscillators. It is found that when sustaining chaos synchronization with nongenerating partition, the synchronization error will be larger than a critical value, although the required coupled channel capacity can be smaller than the case of using a generating partition. Then we show that no matter whether a generating or nongenerating partition is in use, a high-quality detector can guarantee the lead of the response oscillator, while the lag responding can make up the low precision of the detector. A practicable synchronization scheme basing on a nongenerating partition is also proposed in this paper.

The Partition of Multi-Resolution LOD Based on Qtm

Science.gov (United States)

Hou, M.-L.; Xing, H.-Q.; Zhao, X.-S.; Chen, J.

2011-08-01

The partition hierarch of Quaternary Triangular Mesh (QTM) determine the accuracy of spatial analysis and application based on QTM. In order to resolve the problem that the partition hierarch of QTM is limited by the level of the computer hardware, the new method that Multi- Resolution LOD (Level of Details) based on QTM will be discussed in this paper. This method can make the resolution of the cells varying with the viewpoint position by partitioning the cells of QTM, selecting the particular area according to the viewpoint; dealing with the cracks caused by different subdivisions, it satisfies the request of unlimited partition in part.

THE PARTITION OF MULTI-RESOLUTION LOD BASED ON QTM

Directory of Open Access Journals (Sweden)

M.-L. Hou

2012-08-01

Full Text Available The partition hierarch of Quaternary Triangular Mesh (QTM determine the accuracy of spatial analysis and application based on QTM. In order to resolve the problem that the partition hierarch of QTM is limited by the level of the computer hardware, the new method that Multi- Resolution LOD (Level of Details based on QTM will be discussed in this paper. This method can make the resolution of the cells varying with the viewpoint position by partitioning the cells of QTM, selecting the particular area according to the viewpoint; dealing with the cracks caused by different subdivisions, it satisfies the request of unlimited partition in part.

δ2H isotopic flux partitioning of evapotranspiration over a grass field following a water pulse and subsequent dry down

Science.gov (United States)

Good, Stephen P.; Soderberg, Keir; Guan, Kaiyu; King, Elizabeth G.; Scanlon, Todd M.; Caylor, Kelly K.

2014-02-01

The partitioning of surface vapor flux (FET) into evaporation (FE) and transpiration (FT) is theoretically possible because of distinct differences in end-member stable isotope composition. In this study, we combine high-frequency laser spectroscopy with eddy covariance techniques to critically evaluate isotope flux partitioning of FET over a grass field during a 15 day experiment. Following the application of a 30 mm water pulse, green grass coverage at the study site increased from 0 to 10% of ground surface area after 6 days and then began to senesce. Using isotope flux partitioning, transpiration increased as a fraction of total vapor flux from 0% to 40% during the green-up phase, after which this ratio decreased while exhibiting hysteresis with respect to green grass coverage. Daily daytime leaf-level gas exchange measurements compare well with daily isotope flux partitioning averages (RMSE = 0.0018 g m-2 s-1). Overall the average ratio of FT to FET was 29%, where uncertainties in Keeling plot intercepts and transpiration composition resulted in an average of uncertainty of ˜5% in our isotopic partitioning of FET. Flux-variance similarity partitioning was partially consistent with the isotope-based approach, with divergence occurring after rainfall and when the grass was stressed. Over the average diurnal cycle, local meteorological conditions, particularly net radiation and relative humidity, are shown to control partitioning. At longer time scales, green leaf area and available soil water control FT/FET. Finally, we demonstrate the feasibility of combining isotope flux partitioning and flux-variance similarity theory to estimate water use efficiency at the landscape scale.

Experimental determination of trace-element partitioning between pargasite and a synthetic hydrous andesitic melt

Science.gov (United States)

Brenan, J. M.; Shaw, H. F.; Ryerson, F. J.; Phinney, D. L.

1995-10-01

In order to more fully establish a basis for quantifying the role of amphibole in trace-element fractionation processes, we have measured pargasite/silicate melt partitioning of a variety of trace elements (Rb, Ba, Nb, Ta, Hf, Zr, Ce, Nd, Sm, Yb), including the first published values for U, Th and Pb. Experiments conducted at 1000°C and 1.5 GPa yielded large crystals free of compositional zoning. Partition coefficients were found to be constant at total concentrations ranging from ˜ 1 to > 100 ppm, indicating Henry's Law is oparative over this interval. Comparison of partition coefficients measured in this study with previous determinations yields good agreement for similar compositions at comparable pressure and temperature. The compatibility of U, Th and Pb in amphibole decreases in the order Pb > Th > U. Partial melting or fractional crystallization of amphibole-bearing assemblages will therefore result in the generation of excesses in 238U activity relative to 230Th, similar in magnitude to that produced by clinopyroxene. The compatibility of Pb in amphibole relative to U or Th indicates that melt generation in the presence of residual amphibole will result in the long-term enrichment in Pb relative to U or Th in the residue. This process is therefore incapable of producing the depletion in Pb relative to U or Th inferred from the Pb isotopic composition of MORB and OIB. Comparison of partition coefficients measured in this study with previous values for clinopyroxene allows some distinction to be made between expected trace-element fractionations produced during dry (cpx present) and wet (cpx + amphibole present) melting. Rb, Ba, Nb and Ta are dramatically less compatible in clinopyroxene than in amphibole, whereas Th, U, Hf and Zr have similar compatibilities in both phases. Interelement fractionations, such as DNb/DBa are also different for clinopyroxene and amphibole. Changes in certain ratios, such as Ba/Nb, Ba/Th, and Nb/Th within comagmatic suites may

LHCb: Optimising query execution time in LHCb Bookkeeping System using partition pruning and partition wise joins

CERN Multimedia

Mathe, Z

2013-01-01

The LHCb experiment produces a huge amount of data which has associated metadata such as run number, data taking condition (detector status when the data was taken), simulation condition, etc. The data are stored in files, replicated on the Computing Grid around the world. The LHCb Bookkeeping System provides methods for retrieving datasets based on their metadata. The metadata is stored in a hybrid database model, which is a mixture of Relational and Hierarchical database models and is based on the Oracle Relational Database Management System (RDBMS). The database access has to be reliable and fast. In order to achieve a high timing performance, the tables are partitioned and the queries are executed in parallel. When we store large amounts of data the partition pruning is essential for database performance, because it reduces the amount of data retrieved from the disk and optimises the resource utilisation. This research presented here is focusing on the extended composite partitioning strategy such as rang...

Open software tools for eddy covariance flux partitioning

Science.gov (United States)

Agro-ecosystem management and assessment will benefit greatly from the development of reliable techniques for partitioning evapotranspiration (ET) into evaporation (E) and transpiration (T). Among other activities, flux partitioning can aid in evaluating consumptive vs. non-consumptive agricultural...

Antioxidant Properties of Crude Extract, Partition Extract, and Fermented Medium of Dendrobium sabin Flower

Directory of Open Access Journals (Sweden)

Farahziela Abu

2017-01-01

Full Text Available Antioxidant properties of crude extract, partition extract, and fermented medium from Dendrobium sabin (DS flower were investigated. The oven-dried DS flower was extracted using 100% methanol (w/v, 100% ethanol (w/v, and 100% water (w/v. The 100% methanolic crude extract showed the highest total phenolic content (40.33 ± mg GAE/g extract and the best antioxidant properties as shown by DPPH, ABTS, and FRAP assays. A correlation relationship between antioxidant activity and total phenolic content showed that phenolic compounds were the dominant antioxidant components in this flower extract. The microbial fermentation on DS flower medium showed a potential in increasing the phenolic content and DPPH scavenging activity. The TPC of final fermented medium showed approximately 18% increment, while the DPPH of fermented medium increased significantly to approximately 80% at the end of the fermentation. Dendrobium sabin (DS flower showed very good potential properties of antioxidant in crude extract and partition extract as well as better antioxidant activity in the flower fermented medium.

Atmospheric concentration characteristics and gas-particle partitioning of PCBs in a rural area of eastern Germany

International Nuclear Information System (INIS)

Mandalakis, Manolis; Stephanou, Euripides G.

2007-01-01

Atmospheric concentrations of polychlorinated biphenyls (PCBs) were measured in 14 successive daytime and nighttime air samples collected from Melpitz, a rural site in eastern Germany. The average total concentration of PCBs was 110+/-80pgm -3 and they were predominately present in the gas phase (∼95%). Composition of individual congeners closely resembled those of Clophen A30 and Aroclor 1232. Partial vapor pressures of PCBs were well correlated with temperature and the steep slopes obtained from Clausius-Clapeyron plots (-4500 to -8000) indicated that evaporation from adjacent land surfaces still controls the atmospheric levels of these pollutants. Particle-gas partitioning coefficients (K P ) of PCBs were well correlated with the respective sub-cooled vapor pressures (P L o ), but the slopes obtained from logK P versus logP L o plots (-0.16 to -0.59) deviated significantly from the expected value of -1. Overall, gas-particle partitioning of PCBs was better simulated by Junge-Pankow than octanol/air partition coefficient-based model

Phase change thermal storage for a solar total energy system

Science.gov (United States)

Rice, R. E.; Cohen, B. M.

1978-01-01

An analytical and experimental program is being conducted on a one-tenth scale model of a high-temperature (584 K) phase-change thermal energy storage system for installation in a solar total energy test facility at Albuquerque, New Mexico, U.S.A. The thermal storage medium is anhydrous sodium hydroxide with 8% sodium nitrate. The program will produce data on the dynamic response of the system to repeated cycles of charging and discharging simulating those of the test facility. Data will be correlated with a mathematical model which will then be used in the design of the full-scale system.

Off-diagonal series expansion for quantum partition functions

Science.gov (United States)

Hen, Itay

2018-05-01

We derive an integral-free thermodynamic perturbation series expansion for quantum partition functions which enables an analytical term-by-term calculation of the series. The expansion is carried out around the partition function of the classical component of the Hamiltonian with the expansion parameter being the strength of the off-diagonal, or quantum, portion. To demonstrate the usefulness of the technique we analytically compute to third order the partition functions of the 1D Ising model with longitudinal and transverse fields, and the quantum 1D Heisenberg model.

Forward elastic scattering and total cross-section at very high energies

International Nuclear Information System (INIS)

Castaldi, R.

1985-01-01

The successful cooling technique of antiproton beams at CERN has recently allowed the acceleration of proton and antiproton bunches simultaneously circulating in opposite directions in the SPS. Hadron-hadron collisions could so be produced at a centre-of-mass energy one order of magnitude higher than previously available, thus opening a new wide range of energies to experimentation. This technique also made it possible to replace one of the two proton beams in the ISR by a beam of antiprotons, allowing a direct precise comparison, by the same detectors, of pp and anti pp processes at the same energies. The recent results are summarized of the forward elastic scattering and total cross-section in this new energy domain. (Mori, K.)

ANALYSIS OF HYGROTHERMAL CONDITIONS OF EXTERNAL PARTITIONS IN AN UNDERGROUND FRUIT STORE

Directory of Open Access Journals (Sweden)

Grzegorz Nawalany

2016-09-01

Full Text Available The paper presents the analysis of hygrothermal conditions of external partitions in an underground fruit store. The results of measurements of temperature and humidity of the indoor and outdoor air as well as the surface surrounding temperature and the temperature of the air surrounding the store constituted the boundary conditions for the hygrothermal calculations. The paper presents the calculation of the distribution of the temperature and humidity on the ground floor, the wall contacting the ground, the wall contacting the outside air, and the ceiling above the storage chamber. The heat and moisture calculations have shown high risk of condensation submerged in non-insulated external walls. The condition of the adaptation of a traditional cold store to a simple and atmosphere controlled cold one is to increase the thermal resistance of the partitions. Such a solution will let cut the energy demand in those types of agricultural buildings.

Modeling water and hydrogen networks with partitioning regeneration units

Directory of Open Access Journals (Sweden)

W.M. Shehata

2015-03-01

Full Text Available Strict environment regulations in chemical and refinery industries lead to minimize resource consumption by designing utility networks within industrial process plants. The present study proposed a superstructure based optimization model for the synthesis of water and hydrogen networks with partitioning regenerators without mixing the regenerated sources. This method determines the number of partitioning regenerators needed for the regeneration of the sources. The number of the regenerators is based on the number of sources required to be treated for recovery. Each source is regenerated in an individual partitioning regenerator. Multiple regeneration systems can be employed to achieve minimum flowrate and costs. The formulation is linear in the regenerator balance equations. The optimized model is applied for two systems, partitioning regeneration systems of the fixed outlet impurity concentration and partitioning regeneration systems of the fixed impurity load removal ratio (RR for water and hydrogen networks. Several case studies from the literature are solved to illustrate the ease and applicability of the proposed method.

A layer model of ethanol partitioning into lipid membranes.

Science.gov (United States)

Nizza, David T; Gawrisch, Klaus

2009-06-01

The effect of membrane composition on ethanol partitioning into lipid bilayers was assessed by headspace gas chromatography. A series of model membranes with different compositions have been investigated. Membranes were exposed to a physiological ethanol concentration of 20 mmol/l. The concentration of membranes was 20 wt% which roughly corresponds to values found in tissue. Partitioning depended on the chemical nature of polar groups at the lipid/water interface. Compared to phosphatidylcholine, lipids with headgroups containing phosphatidylglycerol, phosphatidylserine, and sphingomyelin showed enhanced partitioning while headgroups containing phosphatidylethanolamine resulted in a lower partition coefficient. The molar partition coefficient was independent of a membrane's hydrophobic volume. This observation is in agreement with our previously published NMR results which showed that ethanol resides almost exclusively within the membrane/water interface. At an ethanol concentration of 20 mmol/l in water, ethanol concentrations at the lipid/water interface are in the range from 30-15 mmol/l, corresponding to one ethanol molecule per 100-200 lipids.

Dominant partition method. [based on a wave function formalism

Science.gov (United States)

Dixon, R. M.; Redish, E. F.

1979-01-01

By use of the L'Huillier, Redish, and Tandy (LRT) wave function formalism, a partially connected method, the dominant partition method (DPM) is developed for obtaining few body reductions of the many body problem in the LRT and Bencze, Redish, and Sloan (BRS) formalisms. The DPM maps the many body problem to a fewer body one by using the criterion that the truncated formalism must be such that consistency with the full Schroedinger equation is preserved. The DPM is based on a class of new forms for the irreducible cluster potential, which is introduced in the LRT formalism. Connectivity is maintained with respect to all partitions containing a given partition, which is referred to as the dominant partition. Degrees of freedom corresponding to the breakup of one or more of the clusters of the dominant partition are treated in a disconnected manner. This approach for simplifying the complicated BRS equations is appropriate for physical problems where a few body reaction mechanism prevails.

Sharing-Aware Horizontal Partitioning for Exploiting Correlations during Query Processing

DEFF Research Database (Denmark)

Tzoumas, Kostas; Deshpande, Amol; Jensen, Christian Søndergaard

2010-01-01

Optimization of join queries based on average selectivities is suboptimal in highly correlated databases. In such databases, relations are naturally divided into partitions, each partition having substantially different statistical characteristics. It is very compelling to discover such data...... partitions during query optimization and create multiple plans for a given query, one plan being optimal for a particular combination of data partitions. This scenario calls for the sharing of state among plans, so that common intermediate results are not recomputed. We study this problem in a setting...

Activities Contributing to Total Energy Expenditure in the United States: Results from the NHAPS Study

Directory of Open Access Journals (Sweden)

Block Gladys

2004-02-01

Full Text Available Abstract Background Physical activity is increasingly recognized as an important factor influencing health and disease status. Total energy expenditure, both low-intensity and high-intensity, contributes to maintenance of healthy body weight. This paper presents the results of a quantitative approach to determining the activities that contribute to total energy expenditure in the United States. Methods Data from the National Human Activity Pattern Survey (NHAPS were used. In 1992–1994 the NHAPS sampled 4,185 females and 3,330 males, aged 18 years and over, weighted to be representative of the 48 contiguous United States. A detailed report of each activity performed in the previous 24 hours was obtained. A score was created for each activity, by multiplying duration and intensity for each individual and summing across individuals. This score was then used to rank each activity according to its contribution to total population energy expenditure, for the total sample and separately for each gender, race, age, region, and season. Results This analysis reveals our society to be primarily sedentary; leisure time physical activity contributed only approximately 5% of the population's total energy expenditure. Not counting sleeping, the largest contributor to energy expenditure was "Driving a car", followed by "Office work" and "Watching TV". Household activities accounted for 20.1% and 33.3% of energy expenditure for males and females respectively. Conclusion The information presented in this paper may be useful in identifying common activities that could be appropriate targets for behavioral interventions to increase physical activity.

Total Corporate social responsibility report 2004. Sharing our energy

International Nuclear Information System (INIS)

2005-05-01

This document presents the social and environmental activities of the group Total for the year 2004. It provides information on the ethical aspects of the governance, the industrial security, the environmental policy, the public health and the occupational safety, the social liability and the economical and social impact of the group activities in the local development, the contribution to the climatic change fight and the development of other energy sources. (A.L.B.)

Vertical partitioning of relational OLTP databases using integer programming

DEFF Research Database (Denmark)

Amossen, Rasmus Resen

2010-01-01

A way to optimize performance of relational row store databases is to reduce the row widths by vertically partition- ing tables into table fractions in order to minimize the number of irrelevant columns/attributes read by each transaction. This pa- per considers vertical partitioning algorithms...... for relational row- store OLTP databases with an H-store-like architecture, meaning that we would like to maximize the number of single-sited transactions. We present a model for the vertical partitioning problem that, given a schema together with a vertical partitioning and a workload, estimates the costs...... applied to the TPC-C benchmark and the heuristic is shown to obtain solutions with costs close to the ones found using the quadratic program....

Metric Structures on Fibered Manifolds Through Partitions of Unity

Directory of Open Access Journals (Sweden)

Hulya Kadioglu

2016-05-01

Full Text Available The notion of partitions of unity is extremely useful as it allows one to extend local constructions on Euclidean patches to global ones. It is widely used in many fields in mathematics. Therefore, prolongation of this useful tool to another manifold may help constructing many geometric structures. In this paper, we construct a partition of unity on a fiber bundle by using a given partition of unity on the base manifold. On the other hand we show that the converse is also possible if it is a vector bundle. As an application, we define a Riemannian metric on the fiber bundle by using induced partition of unity on the fiber bundle.

Mechanical properties of carbynes investigated by ab initio total-energy calculations

DEFF Research Database (Denmark)

Castelli, Ivano E.; Salvestrini, Paolo; Manini, Nicola

2012-01-01

As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab initio total-energy simulations. In particular, we evaluate their linear...

Changes in Energy Cost and Total External Work of Muscles in Elite Race Walkers Walking at Different Speeds

Directory of Open Access Journals (Sweden)

Chwała Wiesław

2014-12-01

Full Text Available The aim of the study was to assess energy cost and total external work (total energy depending on the speed of race walking. Another objective was to determine the contribution of external work to total energy cost of walking at technical, threshold and racing speed in elite competitive race walkers.

PAQ: Partition Analysis of Quasispecies.

Science.gov (United States)

Baccam, P; Thompson, R J; Fedrigo, O; Carpenter, S; Cornette, J L

2001-01-01

The complexities of genetic data may not be accurately described by any single analytical tool. Phylogenetic analysis is often used to study the genetic relationship among different sequences. Evolutionary models and assumptions are invoked to reconstruct trees that describe the phylogenetic relationship among sequences. Genetic databases are rapidly accumulating large amounts of sequences. Newly acquired sequences, which have not yet been characterized, may require preliminary genetic exploration in order to build models describing the evolutionary relationship among sequences. There are clustering techniques that rely less on models of evolution, and thus may provide nice exploratory tools for identifying genetic similarities. Some of the more commonly used clustering methods perform better when data can be grouped into mutually exclusive groups. Genetic data from viral quasispecies, which consist of closely related variants that differ by small changes, however, may best be partitioned by overlapping groups. We have developed an intuitive exploratory program, Partition Analysis of Quasispecies (PAQ), which utilizes a non-hierarchical technique to partition sequences that are genetically similar. PAQ was used to analyze a data set of human immunodeficiency virus type 1 (HIV-1) envelope sequences isolated from different regions of the brain and another data set consisting of the equine infectious anemia virus (EIAV) regulatory gene rev. Analysis of the HIV-1 data set by PAQ was consistent with phylogenetic analysis of the same data, and the EIAV rev variants were partitioned into two overlapping groups. PAQ provides an additional tool which can be used to glean information from genetic data and can be used in conjunction with other tools to study genetic similarities and genetic evolution of viral quasispecies.

Real space in situ bond energies: toward a consistent energetic definition of bond strength.

Science.gov (United States)

Menéndez-Crespo, Daniel; Costales, Aurora; Francisco, Evelio; Martin Pendas, Angel

2018-04-14

A rigorous definition of intrinsic bond strength based on the partitioning of a molecule into real space fragments is presented. Using the domains provided by the quantum theory of atoms in molecules (QTAIM) together with the interacting quantum atoms (IQA) energetic decomposition, we show how an in situ bond strength, matching all the requirements of an intrinsic bond energy, can be defined between each pair of fragments. Total atomization or fragmentation energies are shown to be equal to the sum of these in situ bond energies (ISBEs) if the energies of the fragments are measured with respect to their in-the-molecule state. These energies usually lie above the ground state of the isolated fragments by quantities identified with the standard fragment relaxation or deformation energies, which are also provided by the protocol. Deformation energies bridge dissociation energies with ISBEs, and can be dissected using well-known tools of real space theories of chemical bonding. Similarly, ISBEs can be partitioned into ionic and covalent contributions, and this feature adds to the chemical appeal of the procedure. All the energetic quantities examined are observable and amenable, in principle, to experimental determination. Several systems, exemplifying the role of each energetic term herein presented are used to show the power of the approach. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improved prediction of octanol-water partition coefficients from liquid-solute water solubilities and molar volumes

Science.gov (United States)

Chiou, C.T.; Schmedding, D.W.; Manes, M.

2005-01-01

A volume-fraction-based solvent-water partition model for dilute solutes, in which the partition coefficient shows a dependence on solute molar volume (V??), is adapted to predict the octanol-water partition coefficient (K ow) from the liquid or supercooled-liquid solute water solubility (Sw), or vice versa. The established correlation is tested for a wide range of industrial compounds and pesticides (e.g., halogenated aliphatic hydrocarbons, alkylbenzenes, halogenated benzenes, ethers, esters, PAHs, PCBs, organochlorines, organophosphates, carbamates, and amidesureas-triazines), which comprise a total of 215 test compounds spanning about 10 orders of magnitude in Sw and 8.5 orders of magnitude in Kow. Except for phenols and alcohols, which require special considerations of the Kow data, the correlation predicts the Kow within 0.1 log units for most compounds, much independent of the compound type or the magnitude in K ow. With reliable Sw and V data for compounds of interest, the correlation provides an effective means for either predicting the unavailable log Kow values or verifying the reliability of the reported log Kow data. ?? 2005 American Chemical Society.

Actinide and fission product partitioning and transmutation

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-07-01

The fourth international information exchange meeting on actinide and fission product partitioning and transmutation, took place in Mito City in Japan, on 111-13 September 1996. The proceedings are presented in six sessions: the major programmes and international cooperation, the partitioning and transmutation programs, feasibility studies, particular separation processes, the accelerator driven transmutation, and the chemistry of the fuel cycle. (A.L.B.)

Achievement report for fiscal 1982 on Sunshine Program-entrusted research and development. Research on hydrogen energy total system; 1982 nendo suiso energy total system no kenkyu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1983-03-01

In this research on a hydrogen energy total system, studies are conducted on the plan of a hydrogen energy proving pilot base and on hydrogen as fuel for automobiles. It is estimated that the construction of a hydrogen energy proving pilot base will cost 7.125-billion yen in total. The sum includes 6.410-billion yen for the construction of a system on an island named Island A, 500-million yen for structures on an island named Island B, and 215-million yen for the construction of a marine transportation system between the two islands. Large shares will go to a hydroelectric power plant and a hydrogen liquefaction system, the two occupying approximately half of the total sum. In the study of hydrogen as fuel for automobiles, it is concluded that hydrogen is advantageously employed as fuel for automobiles. When comparison is made in terms of heat value, it is found that even a hydrogen engine which is a mere modification of a currently used engine is comparable to the currently used engine in terms of performance. As for abnormal combustion, a hydrogen/air 2-system injection method is contrived, and this solves the problem almost completely. Cryogenic hydrogen is advantageous in both NOx emission and heat efficiency though within certain limitations. From the viewpoint of safety, the recommended automobile fuel structural formula is GH{sub 2}(MH). (NEDO)

Strategic partitioning of emissions allowances in the EU ETS

Energy Technology Data Exchange (ETDEWEB)

Boehringer, Christoph (Carl von Ossietzky Univ. Oldenburg (Germany)); Rosendahl, Knut Einar (Research Dept., Statistics Norway, Oslo (Norway))

2008-07-01

The EU ETS opens up for strategic partitioning of emissions allowances by the Member States. In this paper we examine the potential effects of such strategic behavior on quota prices and abatement costs. We show that although marginal abatement costs in the sectors outside the EU ETS become quite differentiated, the effects on the quota price and total abatement costs are small. More abatement, however, takes place in the old Member States that are importers of allowances, compared to the cost-effective outcome. Single countries can nevertheless significantly affect the outcome of the EU ETS by exploiting their market power

VLSI PARTITIONING ALGORITHM WITH ADAPTIVE CONTROL PARAMETER

Directory of Open Access Journals (Sweden)

P. N. Filippenko

2013-03-01

Full Text Available The article deals with the problem of very large-scale integration circuit partitioning. A graph is selected as a mathematical model describing integrated circuit. Modification of ant colony optimization algorithm is presented, which is used to solve graph partitioning problem. Ant colony optimization algorithm is an optimization method based on the principles of self-organization and other useful features of the ants’ behavior. The proposed search system is based on ant colony optimization algorithm with the improved method of the initial distribution and dynamic adjustment of the control search parameters. The experimental results and performance comparison show that the proposed method of very large-scale integration circuit partitioning provides the better search performance over other well known algorithms.

Sediment-porewater partition of polycyclic aromatic hydrocarbons (PAHs) from Lanzhou Reach of Yellow River, China

Energy Technology Data Exchange (ETDEWEB)

Yu Yong [Key Laboratory of Pollution Processes and Environmental Criteria, Ministry of Education, College of Environmental Science and Engineering, Nankai University, Tianjin 300071 (China); Xu Jian, E-mail: xujian@nankai.edu.cn [Key Laboratory of Pollution Processes and Environmental Criteria, Ministry of Education, College of Environmental Science and Engineering, Nankai University, Tianjin 300071 (China); Wang Ping; Sun Hongwen; Dai Shugui [Key Laboratory of Pollution Processes and Environmental Criteria, Ministry of Education, College of Environmental Science and Engineering, Nankai University, Tianjin 300071 (China)

2009-06-15

Pollution of polycyclic aromatic hydrocarbons (PAHs) in the aquatic environment has drawn much attention around the world. The occurrence of 16 priority PAHs in the sediments and corresponding porewaters in Lanzhou Reach of Yellow River, China, and their partitioning behavior between the two phases were investigated. The results demonstrated that the total PAH levels in the sediments were positively correlated with the sediment clay contents (R{sup 2} = 0.756). Concentrations of total PAHs in porewaters ranged from 48.2 to 206 {mu}g/L, and indeno[1,2,3-cd]pyrene (InP) was the most abundant compound measured in the porewater samples with a mean value of 42.9 {mu}g/L. The compositions of PAHs in porewaters were dominated by their compositions in the sediment samples. The in situ organic carbon normalized partition coefficients (logK{sub oc}{sup '}) of the PAHs between sediments and porewaters were significantly correlated with their octanol-water partition coefficients (log K{sub ow}) when log K{sub ow} values were less than 5.5 (naphthalene (Nap) excluded). logK{sub oc}{sup '} values of 14 PAHs were lower than those predicted by the Karickhoff relationship. This discrepancy was largest for InP, dibenzo[a,h]anthracene (DBA), and benzo[ghi]perylene (BgP). The results in present study showed the tendency of PAHs release from sediment to porewater, indicating that PAHs sequestered in the sediments may be a pollution source to aquatic ecosystem.

A comment on the calculation of the total-factor energy efficiency (TFEE) index

International Nuclear Information System (INIS)

Chang, Ming-Chung

2013-01-01

This study provides a no-output growth model to conveniently calculate the total-factor energy efficiency (TFEE) index originally proposed by Hu and Wang (2006). The TFEE index serves as a very well-known and popular means of estimating overall energy efficiency. While many previous studies have used the indicator of energy inefficiency, including the indicator of energy intensity (i.e., Energy input/Gross Domestic Product (GDP)) to measure energy efficiency, Hu and Kao (2007) point out that the indicator of energy intensity is not only a partial-factor energy efficiency indicator, but that this partial-factor ratio is also quite inappropriate for analyzing the impact of changing energy use over time. The TFEE index overcomes the disadvantage of the indicator of energy intensity as mentioned above, but five steps are needed to calculate the TFEE score. In this study, we provide a no-output growth model to conveniently calculate the TFEE score. Furthermore, we extend this no-output growth model to an output growth model. This study concludes that the output growth model not only makes it easier to calculate the TFEE index than the model proposed by Hu and Wang (2006) and Hu and Kao (2007), but that it can also obtain better TFEE scores. - Highlights: ► The comment is on the total-factor energy efficiency (TFEE) index. ► Two extension models are no-output growth model and output growth model. ► The model in this study makes it easier to calculate the TFEE index.

Institutional applications of solar total-energy systems. Draft final report. Volume 2. Appendixes

Energy Technology Data Exchange (ETDEWEB)

None

1978-07-01

The appendices present the analytical basis for the analysis of solar total energy (STE) systems. A regional-climate model and a building-load requirements model are developed, along with fuel-price scenarios. Life-cycle costs are compared for conventional-utility, total energy, and STE systems. Thermal STE system design trade-offs are performed and thermal STE system performance is determined. The sensitivity of STE competitiveness to fuel prices is examined. The selection of the photovoltaic array is briefly discussed. The institutional-sector decision processes are analyzed. Hypothetical regional back-up rates and electrical-energy costs are calculated. The algorithms and equations used in operating the market model are given, and a general methodology is developed for projecting the size of the market for STE systems and applied to each of 8 institutional subsectors. (LEW)

Growth analysis partitioning of assimilate in tomato plants cv. Micro-Tom submitted to nitrogen and pyraclostrobin

Directory of Open Access Journals (Sweden)

Emanuela Garbin Martinazzo

2015-10-01

Full Text Available This work aimed at comparing the growth and partitioning of assimilate in tomato plants cv. Micro-Tom subjected to nitrogen and pyraclostrobin. This substance favors the development of chloroplasts and the synthesis of chlorophyll. Tomato plants were submitted to the treatments: T1, complete nutrient solution without pyraclostrobin, T2, complete nutrient solution + pyraclostrobin, T3, ½ strength nutrient solution without N pyraclostrobin and T4, ½ strength nutrient solution N + pyraclostrobin. Plants were collected at regular intervals of seven days after transplantation throughout the crop cycle, with dry mass and leaf area being determined. From the primary data, growth analysis was carried out to calculate total dry matter (Wt, the instantaneous rates of dry matter production (Ct, relative growth (Rw e net assimilation (Ea, leaf area (Af, production rates (Ca and relative growth of leaf area index (Ra and leaf weight (Fw specific leaf area (Sa the dry matter partitioning between organs and number (Nfr and fresh fruit weight (Wfr. Plants of T1 showed higher Wt, Ct and Wfr compared to those of other treatments. However, the T2 plants exhibited similar Nfr to T1 plants, being superior to others. Also allocated on the total dry matter and at the end of the cycle, a higher percentage of dry matter in the seafood compared to T3 and T4 plants. Also they allocated relative to the total dry matter and at the end of the cycle, a higher percentage in fruits of plants to T3 and T4. The association between nitrogen and pyraclostrobin changes the growth and assimilated partition on tomato plants cv. Micro – Tom, and those submitted to ½ dose of nitrogen have a higher total dry matter and less final percentage of total dry matter in fruits , comparatively to those submitted to the association ½ dose of nitrogen and pyraclostrobin.

Deep inelastic collisions at near-barrier energies and search for cold donor-fragment production

International Nuclear Information System (INIS)

Chatterjee, M.B.

1992-01-01

Deep inelastic collisions in the near barrier energies of the mass asymmetric systems are of importance since controversial results on energy partition are being reported. Energy dissipation and the partition of dissipated energy among the reaction partners are of interest. Search for cold donor-fragment production at near barrier energies were carried out on a mass asymmetric system like Ni+Pb. (author). 13 refs., 8 figs

Consistent Estimation of Partition Markov Models

Directory of Open Access Journals (Sweden)

Jesús E. García

2017-04-01

Full Text Available The Partition Markov Model characterizes the process by a partition L of the state space, where the elements in each part of L share the same transition probability to an arbitrary element in the alphabet. This model aims to answer the following questions: what is the minimal number of parameters needed to specify a Markov chain and how to estimate these parameters. In order to answer these questions, we build a consistent strategy for model selection which consist of: giving a size n realization of the process, finding a model within the Partition Markov class, with a minimal number of parts to represent the process law. From the strategy, we derive a measure that establishes a metric in the state space. In addition, we show that if the law of the process is Markovian, then, eventually, when n goes to infinity, L will be retrieved. We show an application to model internet navigation patterns.

Improving the Energy Performance in Existing Non-residential Buildings in Denmark Using the Total Concept Method

DEFF Research Database (Denmark)

Krawczyk, Pawel; Afshari, Alireza; Simonsen, Graves K.

2016-01-01

This project is a part of a joint European research project, “Total Concept”, which is a method for improving the energy performance in existing non-Residential buildings. The method focuses on achieving maximum energy savings in a Building within the profitability frames set by a building owner...... was to form a package of measures for an energy performance improvement in the building based on the Total Concept method. This paper presents results from recently analyzed data on two renovated Danish buildings according to the rules of “Total Concept” method. According to the estimation done based...

Assessing the combined influence of TOC and black carbon in soil–air partitioning of PBDEs and DPs from the Indus River Basin, Pakistan

International Nuclear Information System (INIS)

Ali, Usman; Mahmood, Adeel; Syed, Jabir Hussain; Li, Jun; Zhang, Gan; Katsoyiannis, Athanasios; Jones, Kevin C.; Malik, Riffat Naseem

2015-01-01

Levels of polybrominated diphenyl ethers (PBDEs) and dechlorane plus (DPs) were investigated in the Indus River Basin from Pakistan. Concentrations of ∑PBDEs and ∑DPs were ranged between 0.05 and 2.38 and 0.002–0.53 ng g −1 in the surface soils while 1.43–22.1 and 0.19–7.59 pg m −3 in the passive air samples, respectively. Black carbon (f BC ) and total organic carbon (f TOC ) fractions were also measured and ranged between 0.73 and 1.75 and 0.04–0.2%, respectively. The statistical analysis revealed strong influence of f BC than f TOC on the distribution of PBDEs and DPs in the Indus River Basin soils. BDE's congener profile suggested the input of penta–bromodiphenylether (DE-71) commercial formulation in the study area. Soil–air partitioning of PBDEs were investigated by employing octanol-air partition coefficients (K OA ) and black carbon-air partition coefficients (K BC−A ). The results of both models suggested the combined influence of total organic carbon (absorption) and black carbon (adsorption) in the studied area. - Highlights: • Model based calculations of black carbon-air partition coefficients for PBDEs. • Soil and air levels of PBDEs and DPs reported first time for ecologically important sites of the Indus River Basin, Pakistan. • Both, f BC and f TOC showed combined influence on soil–air partitioning of PBDEs in the Indus River Basin, Pakistan. - BC and TOC showed combined influence on soil–air partitioning of POPs i-e., PBDEs in the Indus River Basin, Pakistan

Limit Shapes and Fluctuations of Bounded Random Partitions

DEFF Research Database (Denmark)

Beltoft, Dan

Random partitions of integers, bounded both in the number of summands and the size of each summand are considered, subject to the probability measure which assigns a probability proportional to some fixed positive number to the power of the number being partitioned. This corresponds to considering...

The total kinetic energy release in the fast neutron-induced fission of {sup 232}Th

Energy Technology Data Exchange (ETDEWEB)

King, Jonathan; Yanez, Ricardo; Loveland, Walter; Barrett, J. Spencer; Oscar, Breland [Oregon State University, Dept. of Chemistry, Corvallis, OR (United States); Fotiades, Nikolaos; Tovesson, Fredrik; Young Lee, Hye [Los Alamos National Laboratory, Physics Division, Los Alamos, NM (United States)

2017-12-15

The post-emission total kinetic energy release (TKE) in the neutron-induced fission of {sup 232}Th was measured (using white spectrum neutrons from LANSCE) for neutron energies from E{sub n} = 3 to 91 MeV. In this energy range the average post-neutron total kinetic energy release decreases from 162.3 ± 0.3 at E{sub n} = 3 MeV to 154.9 ± 0.3 MeV at E{sub n} = 91 MeV. Analysis of the fission mass distributions indicates that the decrease in TKE with increasing neutron energy is a combination of increasing yields of symmetric fission (which has a lower associated TKE) and a decrease in the TKE release in asymmetric fission. (orig.)

Changes in Intakes of Total and Added Sugar and their Contribution to Energy Intake in the U.S.

Directory of Open Access Journals (Sweden)

Won O. Song

2010-08-01

Full Text Available This study was designed to document changes in total sugar intake and intake of added sugars, in the context of total energy intake and intake of nutrient categories, between the 1970s and the 1990s, and to identify major food sources contributing to those changes in intake. Data from the NHANES I and III were analyzed to obtain nationally representative information on food consumption for the civilian, non-institutionalized population of the U.S. from 1971 to 1994. In the past three decades, in addition to the increase in mean intakes of total energy, total sugar, added sugars, significant increases in the total intake of carbohydrates and the proportion of carbohydrates to the total energy intake were observed. The contribution of sugars to total carbohydrate intake decreased in both 1–18 y and 19+ y age subgroups, and the contribution of added sugars to the total energy intake did not change. Soft drinks/fluid milk/sugars and cakes, pastries, and pies remained the major food sources for intake of total sugar, total carbohydrates, and total energy during the past three decades. Carbonated soft drinks were the most significant sugar source across the entire three decades. Changes in sugar consumption over the past three decades may be a useful specific area of investigation in examining the effect of dietary patterns on chronic diseases.

Energy balance and evaporation of a short-rotation willow forest. Variation with season and stand development

Energy Technology Data Exchange (ETDEWEB)

Iritz, Z.

1996-10-01

Energy balance and evaporation of a short-rotation willow (Salix viminalis L.) forest was studied in relation to season and stand development. The developmental stage of the forest stand considerably influenced how the energy, received as net radiation, was partitioned between the connective fluxes and the storage components. The main part of the available energy was utilised for evaporation during most of the season. Only at the beginning of the season did the willow forest supply heat to the atmosphere. Later in the season, energy was taken from air and utilised for evaporation, which resulted in negative sensible heat fluxes. Soil heat storage was also a significant term in the energy balance and also strongly depended on canopy development. Changes in energy partitioning relative to leaf area indices indicated the existence of a threshold value for leaf area index of the developing canopy. The analysis suggested that the canopy of the willow forest could be considered as closed at a leaf area index of 2. It was further found that evaporation from well-irrigated willow forest occurred also during night-time, particularly in windy and dry weather conditions. The sources of nocturnal evaporation were both the canopy, i.e. indicating non-closed stomata, and the soil surface. Partitioning of the total evaporation into components was investigated using a physically-based model with a two-layer aboveground representation and a two-layer soil module. The model estimates evaporation with respect to developmental stage of the willow stand and also takes into account the interaction between the fluxes from the canopy and the soil surface. Good performance of the model indicated that, after further testing in drier conditions, it could be used as a tool for analysing the prerequisites for energy-forest establishment, and practical management of energy forest stands. 37 refs, 9 figs

Total reflection coefficients of low-energy photons presented as universal functions

Directory of Open Access Journals (Sweden)

Ljubenov Vladan

2010-01-01

Full Text Available The possibility of expressing the total particle and energy reflection coefficients of low-energy photons in the form of universal functions valid for different shielding materials is investigated in this paper. The analysis is based on the results of Monte Carlo simulations of photon reflection by using MCNP, FOTELP, and PENELOPE codes. The normal incidence of the narrow monoenergetic photon beam of the unit intensity and of initial energies from 20 keV up to 100 keV is considered, and particle and energy reflection coefficients from the plane homogenous targets of water, aluminum, and iron are determined and compared. The representations of albedo coefficients on the initial photon energy, on the probability of large-angle photon scattering, and on the mean number of photon scatterings are examined. It is found out that only the rescaled albedo coefficients dependent on the mean number of photon scatterings have the form of universal functions and these functions are determined by applying the least square method.

Mesh Partitioning Algorithm Based on Parallel Finite Element Analysis and Its Actualization

Directory of Open Access Journals (Sweden)

Lei Zhang

2013-01-01

Full Text Available In parallel computing based on finite element analysis, domain decomposition is a key technique for its preprocessing. Generally, a domain decomposition of a mesh can be realized through partitioning of a graph which is converted from a finite element mesh. This paper discusses the method for graph partitioning and the way to actualize mesh partitioning. Relevant softwares are introduced, and the data structure and key functions of Metis and ParMetis are introduced. The writing, compiling, and testing of the mesh partitioning interface program based on these key functions are performed. The results indicate some objective law and characteristics to guide the users who use the graph partitioning algorithm and software to write PFEM program, and ideal partitioning effects can be achieved by actualizing mesh partitioning through the program. The interface program can also be used directly by the engineering researchers as a module of the PFEM software. So that it can reduce the application of the threshold of graph partitioning algorithm, improve the calculation efficiency, and promote the application of graph theory and parallel computing.

Fission fragment mass and total kinetic energy distributions of spontaneously fissioning plutonium isotopes

Science.gov (United States)

Pomorski, K.; Nerlo-Pomorska, B.; Bartel, J.; Schmitt, C.

2018-03-01

The fission-fragment mass and total kinetic energy (TKE) distributions are evaluated in a quantum mechanical framework using elongation, mass asymmetry, neck degree of freedom as the relevant collective parameters in the Fourier shape parametrization recently developed by us. The potential energy surfaces (PES) are calculated within the macroscopic-microscopic model based on the Lublin-Strasbourg Drop (LSD), the Yukawa-folded (YF) single-particle potential and a monopole pairing force. The PES are presented and analysed in detail for even-even Plutonium isotopes with A = 236-246. They reveal deep asymmetric valleys. The fission-fragment mass and TKE distributions are obtained from the ground state of a collective Hamiltonian computed within the Born-Oppenheimer approximation, in the WKB approach by introducing a neck-dependent fission probability. The calculated mass and total kinetic energy distributions are found in good agreement with the data.

The Duration of Energy Deposition on Unresolved Flaring Loops in the Solar Corona

Science.gov (United States)

Reep, Jeffrey W.; Polito, Vanessa; Warren, Harry P.; Crump, Nicholas A.

2018-04-01

Solar flares form and release energy across a large number of magnetic loops. The global parameters of flares, such as the total energy released, duration, physical size, etc., are routinely measured, and the hydrodynamics of a coronal loop subjected to intense heating have been extensively studied. It is not clear, however, how many loops comprise a flare, nor how the total energy is partitioned between them. In this work, we employ a hydrodynamic model to better understand the energy partition by synthesizing Si IV and Fe XXI line emission and comparing to observations of these lines with the Interface Region Imaging Spectrograph (IRIS). We find that the observed temporal evolution of the Doppler shifts holds important information on the heating duration. To demonstrate this, we first examine a single loop model, and find that the properties of chromospheric evaporation seen in Fe XXI can be reproduced by loops heated for long durations, while persistent redshifts seen in Si IV cannot be reproduced by any single loop model. We then examine a multithreaded model, assuming both a fixed heating duration on all loops and a distribution of heating durations. For a fixed heating duration, we find that durations of 100–200 s do a fair job of reproducing both the red- and blueshifts, while a distribution of durations, with a median of about 50–100 s, does a better job. Finally, we compare our simulations directly to observations of an M-class flare seen by IRIS, and find good agreement between the modeled and observed values given these constraints.

Comparison of stress and total energy methods for calculation of elastic properties of semiconductors.

Science.gov (United States)

Caro, M A; Schulz, S; O'Reilly, E P

2013-01-16

We explore the calculation of the elastic properties of zinc-blende and wurtzite semiconductors using two different approaches: one based on stress and the other on total energy as a function of strain. The calculations are carried out within the framework of density functional theory in the local density approximation, with the plane wave-based package VASP. We use AlN as a test system, with some results also shown for selected other materials (C, Si, GaAs and GaN). Differences are found in convergence rate between the two methods, especially in low symmetry cases, where there is a much slower convergence for total energy calculations with respect to the number of plane waves and k points used. The stress method is observed to be more robust than the total energy method with respect to the residual error in the elastic constants calculated for different strain branches in the systems studied.

Partitioning of Nanoparticles into Organic Phases and Model Cells

Energy Technology Data Exchange (ETDEWEB)

Posner, J.D.; Westerhoff, P.; Hou, W-C.

2011-08-25

There is a recognized need to understand and predict the fate, transport and bioavailability of engineered nanoparticles (ENPs) in aquatic and soil ecosystems. Recent research focuses on either collection of empirical data (e.g., removal of a specific NP through water or soil matrices under variable experimental conditions) or precise NP characterization (e.g. size, degree of aggregation, morphology, zeta potential, purity, surface chemistry, and stability). However, it is almost impossible to transition from these precise measurements to models suitable to assess the NP behavior in the environment with complex and heterogeneous matrices. For decades, the USEPA has developed and applies basic partitioning parameters (e.g., octanol-water partition coefficients) and models (e.g., EPI Suite, ECOSAR) to predict the environmental fate, bioavailability, and toxicity of organic pollutants (e.g., pesticides, hydrocarbons, etc.). In this project we have investigated the hypothesis that NP partition coefficients between water and organic phases (octanol or lipid bilayer) is highly dependent on their physiochemical properties, aggregation, and presence of natural constituents in aquatic environments (salts, natural organic matter), which may impact their partitioning into biological matrices (bioaccumulation) and human exposure (bioavailability) as well as the eventual usage in modeling the fate and bioavailability of ENPs. In this report, we use the terminology "partitioning" to operationally define the fraction of ENPs distributed among different phases. The mechanisms leading to this partitioning probably involve both chemical force interactions (hydrophobic association, hydrogen bonding, ligand exchange, etc.) and physical forces that bring the ENPs in close contact with the phase interfaces (diffusion, electrostatic interactions, mixing turbulence, etc.). Our work focuses on partitioning, but also provides insight into the relative behavior of ENPs as either "more like

Projection potentials and angular momentum convergence of total energies in the full-potential Korringa–Kohn–Rostoker method

International Nuclear Information System (INIS)

Zeller, Rudolf

2013-01-01

Although the full-potential Korringa–Kohn–Rostoker Green function method yields accurate results for many physical properties, the convergence of calculated total energies with respect to the angular momentum cutoff is usually considered to be less satisfactory. This is surprising because accurate single-particle energies are expected if they are calculated by Lloyd’s formula and because accurate densities and hence accurate double-counting energies should result from the total energy variational principle. It is shown how the concept of projection potentials can be used as a tool to analyse the convergence behaviour. The key factor blocking fast convergence is identified and it is illustrated how total energies can be improved with only a modest increase of computing time. (paper)

Response surface methodology optimization of partitioning of xylanase form Aspergillus Niger by metal affinity polymer-salt aqueous two-phase systems.

Science.gov (United States)

Fakhari, Mohamad Ali; Rahimpour, Farshad; Taran, Mojtaba

2017-09-15

Aqueous two phase affinity partitioning system using metal ligands was applied for partitioning and purification of xylanase produced by Aspergillus Niger. To minimization the number of experiments for the design parameters and develop predictive models for optimization of the purification process, response surface methodology (RSM) with a face-centered central composite design (CCF) has been used. Polyethylene glycol (PEG) 6000 was activated using epichlorohydrin, covalently linked to iminodiacetic acid (IDA), and the specific metal ligand Cu was attached to the polyethylene glycol-iminodiacetic acid (PEG-IDA). The influence of some experimental variables such as PEG (10-18%w/w), sodium sulfate (8-12%), PEG-IDA-Cu 2+ concentration (0-50% w/w of total PEG), pH of system (4-8) and crude enzyme loading (6-18%w/w) on xylanase and total protein partitioning coefficient, enzyme yield and enzyme specific activity were systematically evaluated. Two optimal point with high enzyme partitioning factor 10.97 and yield 79.95 (including 10% PEG, 12% Na 2 SO 4 , 50% ligand, pH 8 and 6% crude enzyme loading) and high specific activity in top phase 42.21 (including 14.73% PEG, 8.02% Na 2 SO 4 , 28.43% ligand, pH 7.7 and 6.08% crude enzyme loading) were attained. The adequacy of the RSM models was verified by a good agreement between experimental and predicted results. Copyright © 2017 Elsevier B.V. All rights reserved.

Regional total factor energy efficiency: An empirical analysis of industrial sector in China

International Nuclear Information System (INIS)

Wang, Zhao-Hua; Zeng, Hua-Lin; Wei, Yi-Ming; Zhang, Yi-Xiang

2012-01-01

Highlights: ► We evaluate energy efficiency under framework of total factor energy efficiency. ► We focus on industry sector of China. ► We use statistical data of industrial enterprises above designated size. ► Energy efficiencies among regions in China are obvious because of technological differences. ► Large scale of investment should be stopped especially in central and western regions. -- Abstract: The rapid growth of the Chinese economy has resulted in great pressure on energy consumption, especially the energy intensive sector – the industrial sector. To achieve sustainable development, China has to consider how to promote energy efficiency to meet the demand of Chinese rapid economic growth, as the energy efficiency of China is relatively low. Meanwhile, the appeal of energy saving and emission reduction has been made by the Chinese central government. Therefore, it is important to evaluate the energy efficiency of industrial sector in China and to assess efficiency development probabilities. The framework of total factor energy efficiency index is adopted to determine the discrepancy of energy efficiency in Chinese industrial sector based on the provincial statistical data of industrial enterprises above designated size in 30 provinces from 2005 to 2009, with gross industrial output as the output value and energy consumption, average remaining balance of capital assets and average amount of working force as the input values. Besides, in considerate of the regional divide of China, namely eastern, central, and western, and economic development differences in each region, energy efficiency of each region is also analysed in this paper. The results show that there is room for China to improve its energy efficiency, especially western provinces which have large amount of energy input excess. Generally speaking, insufficient technological investment and fail of reaching best scale of manufacture are two factors preventing China from energy

Polyhedral Computations for the Simple Graph Partitioning Problem

DEFF Research Database (Denmark)

Sørensen, Michael Malmros

The simple graph partitioning problem is to partition an edge-weighted graph into mutually disjoint subgraphs, each containing no more than b nodes, such that the sum of the weights of all edges in the subgraphs is maximal. In this paper we present a branch-and-cut algorithm for the problem that ...

On the partition dimension of two-component graphs

Indian Academy of Sciences (India)

D O Haryeni

2017-11-17

Nov 17, 2017 ... Partition dimension; disconnected graph; component. 2010 Mathematics Subject Classification. 05C12, 05C15. 1. Introduction. The study of the partition dimension for graphs was initiated by Chartrand et al. [2] aimed at finding a new way to solve the problem in metric dimensions of graphs. Many results.

Using ISBA model for partitioning evapotranspiration into soil evaporation and plant transpiration of irrigated crops under semi-arid climate

Science.gov (United States)

Aouade, Ghizlane; Jarlan, Lionel; Ezzahar, Jamal; Er-raki, Salah; Napoly, Adrien; Benkaddour, Abdelfettah; Khabba, Said; Boulet, Gilles; Chehbouni, Abdelghani; Boone, Aaron

2016-04-01

The Haouz region, typical of southern Mediterranean basins, is characterized by a semi-arid climate, with average annual rainfall of 250, whilst evaporative demand is about 1600 mm per year. Under these conditions, crop irrigation is inevitable for growth and development. Irrigated agriculture currently consumes the majority of total available water (up to 85%), making it critical for more efficient water use. Flood irrigation is widely practiced by the majority of the farmers (more than 85 %) with an efficiency which does not exceed 50%. In this context, a good knowledge of the partitioning of evapotranspiration (ET) into soil evaporation and plant transpiration is of crucial need for improving the irrigation scheduling and thus water use efficiency. In this study, the ISBA (Interactions Soil-Biosphere-Atmosphere) model was used for estimating ET and its partition over an olive orchard and a wheat field located near to the Marrakech City (Centre of Morocco). Two versions were evaluated: standard version which simulates a single energy balance for the soil and vegetation and the recently developed multiple energy balance (MEB) version which solves a separate energy balance for each of the two sources. Eddy covariance system, which provides the sensible and latent heat fluxes and meteorological instruments were operated during years 2003-2004 for the Olive Orchard and during years 2013 for wheat. The transpiration component was measured using a Sap flow system during summer over the wheat crop and stable isotope samples were gathered over wheat. The comparison between ET estimated by ISBA model and that measured by the Eddy covariance system showed that MEB version yielded a remarkable improvement compared to the standard version. The root mean square error (RMSE) and the correlation coefficient (R²) were about 45wm-2 and 0.8 for MEB version. By contrast, for the standard version, the RMSE and R² were about 60wm-2 and 0.7, respectively. The result also showed that

Probabilistic Decision Based Block Partitioning for Future Video Coding

KAUST Repository

Wang, Zhao; Wang, Shiqi; Zhang, Jian; Wang, Shanshe; Ma, Siwei

2017-01-01

, the mode decision problem is casted into a probabilistic framework to select the final partition based on the confidence interval decision strategy. Experimental results show that the proposed CIET algorithm can speed up QTBT block partitioning structure

Computation of liquid-liquid equilibria and phase stabilities: implications for RH-dependent gas/particle partitioning of organic-inorganic aerosols

Directory of Open Access Journals (Sweden)

A. Zuend

2010-08-01

Full Text Available Semivolatile organic and inorganic aerosol species partition between the gas and aerosol particle phases to maintain thermodynamic equilibrium. Liquid-liquid phase separation into an organic-rich and an aqueous electrolyte phase can occur in the aerosol as a result of the salting-out effect. Such liquid-liquid equilibria (LLE affect the gas/particle partitioning of the different semivolatile compounds and might significantly alter both particle mass and composition as compared to a one-phase particle. We present a new liquid-liquid equilibrium and gas/particle partitioning model, using as a basis the group-contribution model AIOMFAC (Zuend et al., 2008. This model allows the reliable computation of the liquid-liquid coexistence curve (binodal, corresponding tie-lines, the limit of stability/metastability (spinodal, and further thermodynamic properties of multicomponent systems. Calculations for ternary and multicomponent alcohol/polyol-water-salt mixtures suggest that LLE are a prevalent feature of organic-inorganic aerosol systems. A six-component polyol-water-ammonium sulphate system is used to simulate effects of relative humidity (RH and the presence of liquid-liquid phase separation on the gas/particle partitioning. RH, salt concentration, and hydrophilicity (water-solubility are identified as key features in defining the region of a miscibility gap and govern the extent to which compound partitioning is affected by changes in RH. The model predicts that liquid-liquid phase separation can lead to either an increase or decrease in total particulate mass, depending on the overall composition of a system and the particle water content, which is related to the hydrophilicity of the different organic and inorganic compounds. Neglecting non-ideality and liquid-liquid phase separations by assuming an ideal mixture leads to an overestimation of the total particulate mass by up to 30% for the composition and RH range considered in the six

Distribution and partitioning of heavy metals in estuarine sediment cores and implications for the use of sediment quality standards

Directory of Open Access Journals (Sweden)

K. L. Spencer

2002-01-01

Full Text Available Total metal concentrations in surface sediments and historically contaminated sediments were determined in sediment cores collected from three estuaries (Thames, Medway and Blackwater in south-east England. The partitioning behaviour of metals in these sediments was also determined using a sequential extraction scheme. These data were then compared with sediment quality values (SQVs to determine the potential ecotoxicological risk to sediment dwelling organisms. When total metal concentrations in surface sediments are examined, no risk to biota in any of the estuaries is indicated. However, when historically contaminated sediments at depth are also considered, risks to biota are apparent and are greatest for the Thames, followed by the Medway and then the Blackwater. This suggests that regulatory authorities should examine vertical metal profiles, particularly in estuaries that are experiencing low sediment accumulation rates where historically contaminated sediments are in the shallow sub-surface zone and where erosion or dredging activities may take place. When metal partitioning characteristics are also considered, the risk to biota is comparable for the Medway and the Blackwater with the potentially bioavailable fraction presenting no ecotoxicological risk. Conversely, over 70% of metals are labile in the Thames Estuary sediments and toxic effects are probable. This suggests that the application of SQVs using total sediment metal concentrations may over- or under-estimate the risk to biota in geochemically dissimilar estuarine sediments. Keywords: sediment quality values, estuarine sediments, metal contamination, partitioning, sequential extraction

Partitioning of unstructured meshes for load balancing

International Nuclear Information System (INIS)

Martin, O.C.; Otto, S.W.

1994-01-01

Many large-scale engineering and scientific calculations involve repeated updating of variables on an unstructured mesh. To do these types of computations on distributed memory parallel computers, it is necessary to partition the mesh among the processors so that the load balance is maximized and inter-processor communication time is minimized. This can be approximated by the problem, of partitioning a graph so as to obtain a minimum cut, a well-studied combinatorial optimization problem. Graph partitioning algorithms are discussed that give good but not necessarily optimum solutions. These algorithms include local search methods recursive spectral bisection, and more general purpose methods such as simulated annealing. It is shown that a general procedure enables to combine simulated annealing with Kernighan-Lin. The resulting algorithm is both very fast and extremely effective. (authors) 23 refs., 3 figs., 1 tab

Managing Network Partitions in Structured P2P Networks

Science.gov (United States)

Shafaat, Tallat M.; Ghodsi, Ali; Haridi, Seif

Structured overlay networks form a major class of peer-to-peer systems, which are touted for their abilities to scale, tolerate failures, and self-manage. Any long-lived Internet-scale distributed system is destined to face network partitions. Consequently, the problem of network partitions and mergers is highly related to fault-tolerance and self-management in large-scale systems. This makes it a crucial requirement for building any structured peer-to-peer systems to be resilient to network partitions. Although the problem of network partitions and mergers is highly related to fault-tolerance and self-management in large-scale systems, it has hardly been studied in the context of structured peer-to-peer systems. Structured overlays have mainly been studied under churn (frequent joins/failures), which as a side effect solves the problem of network partitions, as it is similar to massive node failures. Yet, the crucial aspect of network mergers has been ignored. In fact, it has been claimed that ring-based structured overlay networks, which constitute the majority of the structured overlays, are intrinsically ill-suited for merging rings. In this chapter, we motivate the problem of network partitions and mergers in structured overlays. We discuss how a structured overlay can automatically detect a network partition and merger. We present an algorithm for merging multiple similar ring-based overlays when the underlying network merges. We examine the solution in dynamic conditions, showing how our solution is resilient to churn during the merger, something widely believed to be difficult or impossible. We evaluate the algorithm for various scenarios and show that even when falsely detecting a merger, the algorithm quickly terminates and does not clutter the network with many messages. The algorithm is flexible as the tradeoff between message complexity and time complexity can be adjusted by a parameter.

Framework for Evaluating the Total Value Proposition of Clean Energy Technologies

Energy Technology Data Exchange (ETDEWEB)

Pater, J. E.

2006-02-01

Conventional valuation techniques fail to include many of the financial advantages of clean energy technologies. By omitting benefits associated with risk management, emissions reductions, policy incentives, resource use, corporate social responsibility, and societal economic benefits, investors and firms sacrifice opportunities for new revenue streams and avoided costs. In an effort to identify some of these externalities, this analysis develops a total value proposition for clean energy technologies. It incorporates a series of values under each of the above categories, describing the opportunities for recapturing investments throughout the value chain. The framework may be used to create comparable value propositions for clean energy technologies supporting investment decisions, project siting, and marketing strategies. It can also be useful in policy-making decisions.

On the coherence between high-energy total cross-section data when compared with general principles

International Nuclear Information System (INIS)

Gauron, P.; Nicolescu, B.; Paris-6 Univ., 75

1993-12-01

An essential model is performed - an independent study of the internal coherence between high-energy total cross-section data by using classes of functions satisfying general principles. The study is practically independent of the ρ-parameter values. This general analysis, made without any fit, reveals certain inconsistencies in the existing set of high-energy data. Some of these inconsistencies are eliminated by giving up arbitrary assumptions sometimes made in 'fitology'. It is shown that the ln 2 s increase of total cross-sections at high energies is clearly favoured when compared with other possible behaviours. (authors). 16 refs., 3 figs

Constructing ordinal partition transition networks from multivariate time series.

Science.gov (United States)

Zhang, Jiayang; Zhou, Jie; Tang, Ming; Guo, Heng; Small, Michael; Zou, Yong

2017-08-10

A growing number of algorithms have been proposed to map a scalar time series into ordinal partition transition networks. However, most observable phenomena in the empirical sciences are of a multivariate nature. We construct ordinal partition transition networks for multivariate time series. This approach yields weighted directed networks representing the pattern transition properties of time series in velocity space, which hence provides dynamic insights of the underling system. Furthermore, we propose a measure of entropy to characterize ordinal partition transition dynamics, which is sensitive to capturing the possible local geometric changes of phase space trajectories. We demonstrate the applicability of pattern transition networks to capture phase coherence to non-coherence transitions, and to characterize paths to phase synchronizations. Therefore, we conclude that the ordinal partition transition network approach provides complementary insight to the traditional symbolic analysis of nonlinear multivariate time series.

Phylogenetic relationships in Asarum: Effect of data partitioning and a revised classification.

Science.gov (United States)

Sinn, Brandon T; Kelly, Lawrence M; Freudenstein, John V

2015-05-01

Generic boundaries and infrageneric relationships among the charismatic temperate magnoliid Asarum sensu lato (Aristolochiaceae) have long been uncertain. Previous molecular phylogenetic analyses used either plastid or nuclear loci alone and varied greatly in their taxonomic implications for the genus. We analyzed additional molecular markers from the nuclear and plastid genomes, reevaluated the possibility of a derived loss of autonomous self-pollination, and investigated the topological effects of matrix-partitioning-scheme choice. We sequenced seven plastid regions and the nuclear ITS1-ITS2 region of 58 individuals representing all previously recognized Asarum s.l. segregate genera and the monotypic genus Saruma. Matrices were partitioned using common a priori partitioning schemes and PartitionFinder. Topologies that were recovered using a priori partitioning of matrices differed from those recovered using a PartitionFinder-selected scheme, and by analysis method. We recovered six monophyletic groups that we circumscribed into three subgenera and six sections. Putative fungal mimic characters served as synapomorphies only for subgenus Heterotropa. Subgenus Geotaenium, a new subgenus, was recovered as sister to the remainder of Asarum by ML analyses of highly partitioned datasets. Section Longistylis, also newly named, is sister to section Hexastylis. Our analyses do not unambiguously support a single origin for all fungal-mimicry characters. Topologies recovered through the analysis of PartitionFinder-optimized matrices can differ drastically from those inferred from a priori partitioned matrices, and by analytical method. We recommend that investigators evaluate the topological effects of matrix partitioning using multiple methods of phylogenetic reconstruction. © 2015 Botanical Society of America, Inc.

Computing the Partition Function for Kinetically Trapped RNA Secondary Structures

Science.gov (United States)

Lorenz, William A.; Clote, Peter

2011-01-01

An RNA secondary structure is locally optimal if there is no lower energy structure that can be obtained by the addition or removal of a single base pair, where energy is defined according to the widely accepted Turner nearest neighbor model. Locally optimal structures form kinetic traps, since any evolution away from a locally optimal structure must involve energetically unfavorable folding steps. Here, we present a novel, efficient algorithm to compute the partition function over all locally optimal secondary structures of a given RNA sequence. Our software, RNAlocopt runs in time and space. Additionally, RNAlocopt samples a user-specified number of structures from the Boltzmann subensemble of all locally optimal structures. We apply RNAlocopt to show that (1) the number of locally optimal structures is far fewer than the total number of structures – indeed, the number of locally optimal structures approximately equal to the square root of the number of all structures, (2) the structural diversity of this subensemble may be either similar to or quite different from the structural diversity of the entire Boltzmann ensemble, a situation that depends on the type of input RNA, (3) the (modified) maximum expected accuracy structure, computed by taking into account base pairing frequencies of locally optimal structures, is a more accurate prediction of the native structure than other current thermodynamics-based methods. The software RNAlocopt constitutes a technical breakthrough in our study of the folding landscape for RNA secondary structures. For the first time, locally optimal structures (kinetic traps in the Turner energy model) can be rapidly generated for long RNA sequences, previously impossible with methods that involved exhaustive enumeration. Use of locally optimal structure leads to state-of-the-art secondary structure prediction, as benchmarked against methods involving the computation of minimum free energy and of maximum expected accuracy. Web server

Computing the partition function for kinetically trapped RNA secondary structures.

Directory of Open Access Journals (Sweden)

William A Lorenz

Full Text Available An RNA secondary structure is locally optimal if there is no lower energy structure that can be obtained by the addition or removal of a single base pair, where energy is defined according to the widely accepted Turner nearest neighbor model. Locally optimal structures form kinetic traps, since any evolution away from a locally optimal structure must involve energetically unfavorable folding steps. Here, we present a novel, efficient algorithm to compute the partition function over all locally optimal secondary structures of a given RNA sequence. Our software, RNAlocopt runs in O(n3 time and O(n2 space. Additionally, RNAlocopt samples a user-specified number of structures from the Boltzmann subensemble of all locally optimal structures. We apply RNAlocopt to show that (1 the number of locally optimal structures is far fewer than the total number of structures--indeed, the number of locally optimal structures approximately equal to the square root of the number of all structures, (2 the structural diversity of this subensemble may be either similar to or quite different from the structural diversity of the entire Boltzmann ensemble, a situation that depends on the type of input RNA, (3 the (modified maximum expected accuracy structure, computed by taking into account base pairing frequencies of locally optimal structures, is a more accurate prediction of the native structure than other current thermodynamics-based methods. The software RNAlocopt constitutes a technical breakthrough in our study of the folding landscape for RNA secondary structures. For the first time, locally optimal structures (kinetic traps in the Turner energy model can be rapidly generated for long RNA sequences, previously impossible with methods that involved exhaustive enumeration. Use of locally optimal structure leads to state-of-the-art secondary structure prediction, as benchmarked against methods involving the computation of minimum free energy and of maximum expected

Generalised partition functions: inferences on phase space distributions

Directory of Open Access Journals (Sweden)

R. A. Treumann

2016-06-01

Full Text Available It is demonstrated that the statistical mechanical partition function can be used to construct various different forms of phase space distributions. This indicates that its structure is not restricted to the Gibbs–Boltzmann factor prescription which is based on counting statistics. With the widely used replacement of the Boltzmann factor by a generalised Lorentzian (also known as the q-deformed exponential function, where κ = 1∕|q − 1|, with κ, q ∈ R both the kappa-Bose and kappa-Fermi partition functions are obtained in quite a straightforward way, from which the conventional Bose and Fermi distributions follow for κ → ∞. For κ ≠ ∞ these are subject to the restrictions that they can be used only at temperatures far from zero. They thus, as shown earlier, have little value for quantum physics. This is reasonable, because physical κ systems imply strong correlations which are absent at zero temperature where apart from stochastics all dynamical interactions are frozen. In the classical large temperature limit one obtains physically reasonable κ distributions which depend on energy respectively momentum as well as on chemical potential. Looking for other functional dependencies, we examine Bessel functions whether they can be used for obtaining valid distributions. Again and for the same reason, no Fermi and Bose distributions exist in the low temperature limit. However, a classical Bessel–Boltzmann distribution can be constructed which is a Bessel-modified Lorentzian distribution. Whether it makes any physical sense remains an open question. This is not investigated here. The choice of Bessel functions is motivated solely by their convergence properties and not by reference to any physical demands. This result suggests that the Gibbs–Boltzmann partition function is fundamental not only to Gibbs–Boltzmann but also to a large class of generalised Lorentzian distributions as well as to the

Partitioning sources of variation in vertebrate species richness

Science.gov (United States)

Boone, R.B.; Krohn, W.B.

2000-01-01

Aim: To explore biogeographic patterns of terrestrial vertebrates in Maine, USA using techniques that would describe local and spatial correlations with the environment. Location: Maine, USA. Methods: We delineated the ranges within Maine (86,156 km2) of 275 species using literature and expert review. Ranges were combined into species richness maps, and compared to geomorphology, climate, and woody plant distributions. Methods were adapted that compared richness of all vertebrate classes to each environmental correlate, rather than assessing a single explanatory theory. We partitioned variation in species richness into components using tree and multiple linear regression. Methods were used that allowed for useful comparisons between tree and linear regression results. For both methods we partitioned variation into broad-scale (spatially autocorrelated) and fine-scale (spatially uncorrelated) explained and unexplained components. By partitioning variance, and using both tree and linear regression in analyses, we explored the degree of variation in species richness for each vertebrate group that Could be explained by the relative contribution of each environmental variable. Results: In tree regression, climate variation explained richness better (92% of mean deviance explained for all species) than woody plant variation (87%) and geomorphology (86%). Reptiles were highly correlated with environmental variation (93%), followed by mammals, amphibians, and birds (each with 84-82% deviance explained). In multiple linear regression, climate was most closely associated with total vertebrate richness (78%), followed by woody plants (67%) and geomorphology (56%). Again, reptiles were closely correlated with the environment (95%), followed by mammals (73%), amphibians (63%) and birds (57%). Main conclusions: Comparing variation explained using tree and multiple linear regression quantified the importance of nonlinear relationships and local interactions between species

A prospective study of spine fractures diagnosed by total spine computed tomography in high energy trauma patients

International Nuclear Information System (INIS)

Takami, Masanari; Nohda, Kazuhiro; Sakanaka, Junya; Nakamura, Masamichi; Yoshida, Munehito

2011-01-01

Since it is known to be impossible to identify spinal fractures in high-energy trauma patients the primary trauma evaluation, we have been performing total spine computed tomography (CT) in high-energy trauma cases. We investigated the spinal fractures that it was possible to detect by total spine CT in 179 cases and evaluated the usefulness of total spine CT prospectively. There were 54 (30.2%) spinal fractures among the 179 cases. Six (37.5%) of the 16 cervical spine fractures that were not detected on plain X-ray films were identified by total spine CT. Six (14.0%) of 43 thoracolumbar spine fractures were considered difficult to diagnose based on the clinical findings if total spine CT had not been performed. We therefore concluded that total spine CT is very useful and should be performed during the primary trauma evaluation in high-energy trauma cases. (author)

Partitioning and mobilization of photoassimilate in alfalfa subjected to water deficits

International Nuclear Information System (INIS)

Hall, M.H.; Sheaffer, C.C.; Heichel, G.H.

1988-01-01

Faster regrowth of a stressed alfalfa (Medicago sativa L.) crop compared to an unstressed crop after rewatering has been reported. The bases of this compensatory response are unknown, but they may be important to understanding adaptation to water stress and to developing crop water management strategies. The authors objectives was to determine the effect of stress induced by water deficit on photoassimilate partitioning and the utilization of stored assimilates during regrowth of alfalfa. Field and greenhouse experiments were conducted using cultivars differing in winterhardiness. Plants were subjected to water stress, pulse-labeled with 14 CO 2 , and sampled following 0, 1, 14, 21, and 28-d translocation periods. Following the 14-d sampling, herbage was harvested and water stress was removed. Cultivars contrasting in winterhardiness responded similarly to water stress. Stressed plant roots contained 73 and 114% more total plant radioactivity (TPR) than the control at the 1 and 14-d translocation periods, respectively. Water stress significantly increased root starch and TPR percentage in the starch fraction, but had much smaller effects on root soluble-sugar concentration and TPR percentage of the root sugar fraction. Herbage regrowth mass following harvest and rewatering of the water-stressed plants was similar to that of the control. Compared to the control, water-stressed alfalfa has greater total nonstructural carbohydrates in the roots, apparently due to increased photoassimilate partitioning to the roots. However, the greater root carbohydrate concentrations did not result in compensatory herbage regrowth following rewatering

Hashing for Statistics over K-Partitions

DEFF Research Database (Denmark)

Dahlgaard, Soren; Knudsen, Mathias Baek Tejs; Rotenberg, Eva

2015-01-01

In this paper we analyze a hash function for k-partitioning a set into bins, obtaining strong concentration bounds for standard algorithms combining statistics from each bin. This generic method was originally introduced by Flajolet and Martin [FOCS'83] in order to save a factor Ω(k) of time per...... concentration bounds on the most popular applications of k-partitioning similar to those we would get using a truly random hash function. The analysis is very involved and implies several new results of independent interest for both simple and double tabulation, e.g. A simple and efficient construction...

One-year study of polycyclic aromatic compounds at an urban site in Grenoble (France): Seasonal variations, gas/particle partitioning and cancer risk estimation

Energy Technology Data Exchange (ETDEWEB)

Tomaz, Sophie [Institut National de l' Environnement industriel et des RISques (INERIS), Parc Technologique Alata BP2, 60550 Verneuil en Halatte (France); CNRS, EPOC, UMR 5805, F-33405 Talence Cedex (France); Université de Bordeaux, EPOC, UMR 5805, F-33405, Talence Cedex (France); Shahpoury, Pourya [Max Planck Institute for Chemistry, Multiphase Chemistry Department, Mainz (Germany); Jaffrezo, Jean-Luc [Laboratoire de Glaciologie et Géophysiques de l' Environnement (LGGE), Université de Grenoble-Alpes/CNRS, Grenoble (France); Lammel, Gerhard [Max Planck Institute for Chemistry, Multiphase Chemistry Department, Mainz (Germany); Masaryk University, Research Centre for Toxic Compounds in the Environment, Brno (Czech Republic); Perraudin, Emilie; Villenave, Eric [CNRS, EPOC, UMR 5805, F-33405 Talence Cedex (France); Université de Bordeaux, EPOC, UMR 5805, F-33405, Talence Cedex (France); Albinet, Alexandre, E-mail: alexandre.albinet@gmail.com [Institut National de l' Environnement industriel et des RISques (INERIS), Parc Technologique Alata BP2, 60550 Verneuil en Halatte (France)

2016-09-15

21 PAHs, 27 oxy-PAHs and 32 nitro-PAHs were measured every third day over a year in both gaseous (G) and particulate PM{sub 10} (P) phases in ambient air of Grenoble (France). Mean total concentrations (G + P) of PAHs and oxy-PAHs were in the same range and about 10 ng m{sup −3}. Nitro-PAHs were 50 to 100 times less concentrated averaging 100 pg m{sup −3}. Polycyclic aromatic compound (PAC) concentrations were 5 to 7 times higher in “cold” period (October to March) than in “warm” period (April to September). Seasonal variations may be explained by higher primary emissions from residential heating, especially biomass burning in “cold” season. Meteorological conditions and influence of the geomorphology around Grenoble, with the formation of thermal inversion layers leading to the stagnation of pollutants, were additional key parameters. Maximum individual PAC concentrations were observed during two PM{sub 10} pollution events in December and February–March. Chemical processes and secondary formation of oxy- and nitro-PAH were probably enhanced by the accumulation of the pollutants during these events. PAC gas/particle partitioning depended on compound molecular weight and vapour pressure. Gas/particle partitioning of oxy- and nitro-PAHs were evaluated using a multi-phase poly-parameter linear free energy relationship model. The PAC cancer risk was assessed using toxic equivalency factors available in the literature (19 PAHs, 10 nitro-PAHs and 1 oxy-PAH). Overall, particle-bound PACs contributed about 76% of the cancer risk. While PAHs accounted for most of the total PAC cancer risk, oxy- and nitro-PAHs could account for up to 24%. The risk quantification across substance classes is limited by toxicological data availability. - Highlights: • The most comprehensive study about PAH, nitro- and oxy-PAH in ambient air. • 80 species studied in gaseous and particle phases over a year at French urban site. • Concentration seasonality governed by

Metal partitioning and uptake in central Ontario forests

International Nuclear Information System (INIS)

Watmough, Shaun A.; Dillon, Peter J.; Epova, Ekaterina N.

2005-01-01

Evaluation of the potential environmental risk posed by metals depends to a great extent on modeling the fate and mobility of metals with soil-solution partitioning coefficients (K d ). However, the effect of biological cycling on metal partitioning is rarely considered in standard risk assessments. We determined soil-solution partitioning coefficients for 5 metals (Cd, Zn, Pb, Co and Ni) at 46 forested sites that border the Precambrian Shield in central Ontario, where soil pH aq varied from 3.9 to 8.1. Foliage from the dominant tree species and forest floor samples were also collected from each site to compare their metal levels with K d predictions. Analogous to other studies, log K d values for all metals were predicted by empirical linear regression with soil pH (r 2 = 0.66-0.72), demonstrating that metal partitioning between soil and soil solution can be reliably predicted for relatively unpolluted forest mineral soils by soil pH. In contrast, whereas the so-called bioavailable water-soluble metal fraction could be predicted from soil pH, metal concentrations in foliage and the forest floor at each site were not consistently related to pH. Risk assessment of metals should take into account the role of biota in metal cycling and partitioning in forests, particularly if metal bio-accumulation and chronic toxicity in the food chain, rather than metal mobility in soils, are of primary concern. - Metal cycling by plants should be considered in risk assessment studies

Replica analysis of partition-function zeros in spin-glass models

International Nuclear Information System (INIS)

Takahashi, Kazutaka

2011-01-01

We study the partition-function zeros in mean-field spin-glass models. We show that the replica method is useful to find the locations of zeros in a complex parameter plane. For the random energy model, we obtain the phase diagram in the plane and find that there are two types of distributions of zeros: two-dimensional distribution within a phase and one-dimensional one on a phase boundary. Phases with a two-dimensional distribution are characterized by a novel order parameter defined in the present replica analysis. We also discuss possible patterns of distributions by studying several systems.

Total electron scattering cross sections for methanol and ethanol at intermediate energies

International Nuclear Information System (INIS)

Silva, D G M; Tejo, T; Lopes, M C A; Muse, J; Romero, D; Khakoo, M A

2010-01-01

Absolute total cross section (TCS) measurements of electron scattering from gaseous methanol and ethanol molecules are reported for impact energies from 60 to 500 eV, using the linear transmission method. The attenuation of intensity of a collimated electron beam through the target volume is used to determine the absolute TCS for a given impact energy, using the Beer-Lambert law to first approximation. Besides these experimental measurements, we have also determined TCS using the additivity rule.

PACE: A dynamic programming algorithm for hardware/software partitioning

DEFF Research Database (Denmark)

Knudsen, Peter Voigt; Madsen, Jan

1996-01-01

This paper presents the PACE partitioning algorithm which is used in the LYCOS co-synthesis system for partitioning control/dataflow graphs into hardware and software parts. The algorithm is a dynamic programming algorithm which solves both the problem of minimizing system execution time...

Targeting for energy efficiency and improved energy collaboration between different companies using total site analysis (TSA)

International Nuclear Information System (INIS)

Hackl, Roman; Andersson, Eva; Harvey, Simon

2011-01-01

Rising fuel prices, increasing costs associated with emissions of green house gases and the threat of global warming make efficient use of energy more and more important. Industrial clusters have the potential to significantly increase energy efficiency by energy collaboration. In this paper Sweden's largest chemical cluster is analysed using the total site analysis (TSA) method. TSA delivers targets for the amount of utility consumed and generated through excess energy recovery by the different processes. The method enables investigation of opportunities to deliver waste heat from one process to another using a common utility system. The cluster consists of 5 chemical companies producing a variety of products, including polyethylene (PE), polyvinyl chloride (PVC), amines, ethylene, oxygen/nitrogen and plasticisers. The companies already work together by exchanging material streams. In this study the potential for energy collaboration is analysed in order to reach an industrial symbiosis. The overall heating and cooling demands of the site are around 442 MW and 953 MW, respectively. 122 MW of heat is produced in boilers and delivered to the processes. TSA is used to stepwise design a site-wide utility system which improves energy efficiency. It is shown that heat recovery in the cluster can be increased by 129 MW, i.e. the current utility demand could be completely eliminated and further 7 MW excess steam can be made available. The proposed retrofitted utility system involves the introduction of a site-wide hot water circuit, increased recovery of low pressure steam and shifting of heating steam pressure to lower levels in a number heat exchangers when possible. Qualitative evaluation of the suggested measures shows that 60 MW of the savings potential could to be achieved with moderate changes to the process utility system corresponding to 50% of the heat produced from purchased fuel in the boilers of the cluster. Further analysis showed that after implementation

Disk partition function and oscillatory rolling tachyons

International Nuclear Information System (INIS)

Jokela, Niko; Jaervinen, Matti; Keski-Vakkuri, Esko; Majumder, Jaydeep

2008-01-01

An exact cubic open string field theory rolling tachyon solution was recently found by Kiermaier et al and Schnabl. This oscillatory solution has been argued to be related by a field redefinition to the simple exponential rolling tachyon deformation of boundary conformal theory. In the latter approach, the disk partition function takes a simple form. Out of curiosity, we compute the disk partition function for an oscillatory tachyon profile, and find that the result is nevertheless almost the same

Partitioning of Respiration in an Animal-Algal Symbiosis: Implications for Different Aerobic Capacity Between Symbiodinium spp.

Directory of Open Access Journals (Sweden)

Thomas David Hawkins

2016-04-01

Full Text Available Cnidarian-dinoflagellate symbioses are ecologically important and the subject of much investigation. However, our understanding of critical aspects of symbiosis physiology, such as the partitioning of total respiration between the host and symbiont, remains incomplete. Specifically, we know little about how the relationship between host and symbiont respiration varies between different holobionts (host-symbiont combinations. We applied molecular and biochemical techniques to investigate aerobic respiratory capacity in naturally symbiotic Exaiptasia pallida sea anemones, alongside animals infected with either homologous ITS2-type A4 Symbiodinium or a heterologous isolate of Symbiodinium minutum (ITS2-type B1. In naturally symbiotic anemones, host, symbiont, and total holobiont mitochondrial citrate synthase (CS enzyme activity, but not host mitochondrial copy number, were reliable predictors of holobiont respiration. There was a positive association between symbiont density and host CS specific activity (mg protein-1, and a negative correlation between host- and symbiont CS specific activities. Notably, partitioning of total CS activity between host and symbiont in this natural E. pallida population was significantly different to the host/symbiont biomass ratio. In re-infected anemones, we found significant between-holobiont differences in the CS specific activity of the algal symbionts. Furthermore, the relationship between the partitioning of total CS activity and the host/symbiont biomass ratio differed between holobionts. These data have broad implications for our understanding of cnidarian-algal symbiosis. Specifically, the long-held assumption of equivalency between symbiont/host biomass and respiration ratios can result in significant overestimation of symbiont respiration and potentially erroneous conclusions regarding the percentage of carbon translocated to the host. The interspecific variability in symbiont aerobic capacity provides

Overall assessment of actinide partitioning and transmutation for waste management purposes

International Nuclear Information System (INIS)

Blomeke, J.O.; Croff, A.G.; Finney, B.C.; Tedder, D.W.

1980-01-01

A program to establish the technical feasibility and incentives for partitioning (i.e., recovering) actinides from fuel cycle wastes and then transmuting them in power reactors to shorter-lived or stable nuclides has recently been concluded at the Oak Ridge National Laboratory. The feasibility was established by experimentally investigating the reduction that can be practicably achieved in the actinide content of the wastes sent to a geologic repository, and the incentives for implementing this concept were defined by determining the incremental costs, risks, and benefits. Eight US Department of Energy laboratories and three private companies participated in the program over its 3-year duration. A reference fuel cycle was chosen based on a self-generated plutonium recycle PWR, and chemical flowsheets based on solvent extraction and ion-exchange techniques were generated that have the potential to reduce actinides in fuel fabrication and reprocessing plant wastes to less than 0.25% of those in the spent fuel. Waste treatment facilities utilizing these flowsheets were designed conceptually, and their costs were estimated. Finally, the short-term (contemporary) risks from fuel cycle operations and long-term (future) risks from deep geologic disposal of the wastes were estimated for cases with and without partitioning and transmutation. It was concluded that, while both actinide partitioning from wastes and transmutation in power reactors appear to be feasible using currently identified and studied technology, implementation of this concept cannot be justified because of the small long-term benefits and substantially increased costs of the concept

European Europart integrated project on actinide partitioning

International Nuclear Information System (INIS)

Madic, C.; Hudson, M.J.

2005-01-01

This poster presents the objectives of EUROPART, a scientific integrated project between 24 European partners, mostly funded by the European Community within the FP6. EUROPART aims at developing chemical partitioning processes for the so-called minor actinides (MA) contained in nuclear wastes, i.e. from Am to Cf. In the case of dedicated spent fuels or targets, the actinides to be separated also include U, Pu and Np. The techniques considered for the separation of these radionuclides belong to the fields of hydrometallurgy and pyrometallurgy, as in the previous FP5 programs named PARTNEW and PYROREP. The two main axes of research within EUROPART will be: The partitioning of MA (from Am to Cf) from high burn-up UO x fuels and multi-recycled MOx fuels; the partitioning of the whole actinide family for recycling, as an option for advanced dedicated fuel cycles (and in connection with the studies to be performed in the EUROTRANS integrated project). In hydrometallurgy, the research is organised into five Work Packages (WP). Four WP are dedicated to the study of partitioning methods mainly based on the use of solvent extraction methods, one WP is dedicated to the development of actinide co-conversion methods for fuel or target preparation. The research in pyrometallurgy is organized into four WP, listed hereafter: development of actinide partitioning methods, study of the basic chemistry of trans-curium elements in molten salts, study of the conditioning of the wastes, some system studies. Moreover, a strong management team will be concerned not only with the technical and financial issues arising from EUROPART, but also with information, communication and benefits for Europe. Training and education of young researchers will also pertain to the project. EUROPART has also established collaboration with US DOE and Japanese CRIEPI. (authors)

The partitioning of uranium and neptunium onto hydrothermally altered concrete

International Nuclear Information System (INIS)

Zhao, P.; Allen, P.G.; Sylwester, E.R.; Viani, B.E.

2000-01-01

Partition coefficients (K d ) of U(VI) and Np(V) on untreated and hydrothermally altered concrete were measured in 0.01 M NaCl and 0.01 M NaHCO 3 solutions as functions of concentration of the radionuclides, pH, and time. The partition coefficients for both U(VI) and Np(V) on hydrothermally altered concrete are significantly lower than those on untreated concrete. The partition of both U(VI) and Np(V) are pH dependent, although the pH dependence does not appear to reflect precipitation of U and Np-bearing phases. Both sorption and precipitation are likely processes controlling partitioning of U to concrete; sorption is the most likely process controlling the partitioning of Np to concrete. The presence of 0.01 M carbonate species in solution decreases K d of U(VI) for both hydrothermally altered and untreated concrete from ≥ 10 4 mL/g to ∝ 400 to 1000 mL/g indicating a significant impact on U(VI) sorption. In contrast, the presence of carbonate only reduced the K d of Np(V) by one order of magnitude or less. X-ray absorption spectroscopy analysis of U/concrete mixtures at different pHs and times indicate that uranyl ions are partitioned as monomeric species on untreated concrete, but oligomeric species on hydrothermally altered concrete. Similar analysis of Np/concrete mixtures shows that about half of the partitioned Np(V) is reduced to Np(IV) over a period of 6 months. (orig.)

Visualising the equilibrium distribution and mobility of organic contaminants in soil using the chemical partitioning space.

Science.gov (United States)

Wong, Fiona; Wania, Frank

2011-06-01

Assessing the behaviour of organic chemicals in soil is a complex task as it is governed by the physical chemical properties of the chemicals, the characteristics of the soil as well as the ambient conditions of the environment. The chemical partitioning space, defined by the air-water partition coefficient (K(AW)) and the soil organic carbon-water partition coefficient (K(OC)), was employed to visualize the equilibrium distribution of organic contaminants between the air-filled pores, the pore water and the solid phases of the bulk soil and the relative importance of the three transport processes removing contaminants from soil (evaporation, leaching and particle erosion). The partitioning properties of twenty neutral organic chemicals (i.e. herbicides, pharmaceuticals, polychlorinated biphenyls and volatile chemicals) were estimated using poly-parameter linear free energy relationships and superimposed onto these maps. This allows instantaneous estimation of the equilibrium phase distribution and mobility of neutral organic chemicals in soil. Although there is a link between the major phase and the dominant transport process, such that chemicals found in air-filled pore space are subject to evaporation, those in water-filled pore space undergo leaching and those in the sorbed phase are associated with particle erosion, the partitioning coefficient thresholds for distribution and mobility can often deviate by many orders of magnitude. In particular, even a small fraction of chemical in pore water or pore air allows for evaporation and leaching to dominate over solid phase transport. Multiple maps that represent soils that differ in the amount and type of soil organic matter, water saturation, temperature, depth of surface soil horizon, and mineral matters were evaluated.

BKP plane partitions

International Nuclear Information System (INIS)

Foda, Omar; Wheeler, Michael

2007-01-01

Using BKP neutral fermions, we derive a product expression for the generating function of volume-weighted plane partitions that satisfy two conditions. If we call a set of adjacent equal height-h columns, h > 0, an h-path, then 1. Every h-path can assume one of two possible colours. 2. There is a unique way to move along an h-path from any column to another

BKP plane partitions

Energy Technology Data Exchange (ETDEWEB)

Foda, Omar; Wheeler, Michael [Department of Mathematics and Statistics, University of Melbourne, Parkville, Victoria 3010 (Australia)

2007-01-15

Using BKP neutral fermions, we derive a product expression for the generating function of volume-weighted plane partitions that satisfy two conditions. If we call a set of adjacent equal height-h columns, h > 0, an h-path, then 1. Every h-path can assume one of two possible colours. 2. There is a unique way to move along an h-path from any column to another.

The conditions for total reflection of low-energy atoms from crystal surfaces

International Nuclear Information System (INIS)

Hou, M.; Robinson, M.T.

1978-01-01

The critical angles for the total reflection of low-energy particles from Cu rows and (001) planes have been investigated, using the binary collision approximation computer simulation code MARLOWE Breakthrough angles were evaluated for H, N, Ne, Ar, Cu, Xe, and Au in the energy range from 0.1 to 7.5 keV. In both the axial and the planar cases, recoiling of the target atoms lowers the energy barrier which the target surface presents to the heavy projectiles. Consequently, the breakthrough angles are reduced for heavy projectiles below the values expected either from observations on light projectiles or from analytical channeling theory. (orig.) [de

Monotonicity Conditions for Multirate and Partitioned Explicit Runge-Kutta Schemes

KAUST Repository

Hundsdorfer, Willem; Mozartova, Anna; Savcenco, Valeriu

2013-01-01

of partitioned Runge-Kutta methods. It will also be seen that the incompatibility of consistency and mass-conservation holds for ‘genuine’ multirate schemes, but not for general partitioned methods.

PuLP/XtraPuLP : Partitioning Tools for Extreme-Scale Graphs

Energy Technology Data Exchange (ETDEWEB)

2017-09-21

PuLP/XtraPulp is software for partitioning graphs from several real-world problems. Graphs occur in several places in real world from road networks, social networks and scientific simulations. For efficient parallel processing these graphs have to be partitioned (split) with respect to metrics such as computation and communication costs. Our software allows such partitioning for massive graphs.

Periodic Schur process, cylindric partitions and N=2* theory

International Nuclear Information System (INIS)

Iqbal, Amer; Kozcaz, Can; Sohail, Tanweer

2011-01-01

Type IIA string theory compactified on an elliptic CY3-fold gives rise to N=2U(1) gauge theory with an adjoint hypermultiplet. We study the refined open and closed topological string partition functions of this geometry using the refined topological vertex. We show that these partition functions, open and closed, are examples of periodic Schur process and are related to the generating function of the cylindric partitions if the Kaehler parameters are quantized in units of string coupling. The level-rank duality appears as the exchange symmetry of the two Kaehler parameters of the elliptic CY3-fold.

Radio Wave Propagation Scene Partitioning for High-Speed Rails

Directory of Open Access Journals (Sweden)

Bo Ai

2012-01-01

Full Text Available Radio wave propagation scene partitioning is necessary for wireless channel modeling. As far as we know, there are no standards of scene partitioning for high-speed rail (HSR scenarios, and therefore we propose the radio wave propagation scene partitioning scheme for HSR scenarios in this paper. Based on our measurements along the Wuhan-Guangzhou HSR, Zhengzhou-Xian passenger-dedicated line, Shijiazhuang-Taiyuan passenger-dedicated line, and Beijing-Tianjin intercity line in China, whose operation speeds are above 300 km/h, and based on the investigations on Beijing South Railway Station, Zhengzhou Railway Station, Wuhan Railway Station, Changsha Railway Station, Xian North Railway Station, Shijiazhuang North Railway Station, Taiyuan Railway Station, and Tianjin Railway Station, we obtain an overview of HSR propagation channels and record many valuable measurement data for HSR scenarios. On the basis of these measurements and investigations, we partitioned the HSR scene into twelve scenarios. Further work on theoretical analysis based on radio wave propagation mechanisms, such as reflection and diffraction, may lead us to develop the standard of radio wave propagation scene partitioning for HSR. Our work can also be used as a basis for the wireless channel modeling and the selection of some key techniques for HSR systems.

Optimization of stand-alone photovoltaic systems with hydrogen storage for total energy self-sufficiency

Energy Technology Data Exchange (ETDEWEB)

Lund, P D [Helsinki Univ. of Technology, Espoo (Finland). Dept. of Technical Physics

1991-01-01

A new method for optimization of stand-alone photovoltaic-hydrogen energy systems is presented. The methodology gives the optimum values for the solar array and hydrogen storage size for any given system configuration and geographical site. Sensitivity analyses have been performed to study the effect of subsystem efficiencies on the total system performance and sizing, and also to identify possibilities for further improvements. Optimum system configurations have also been derived. The results indicate that a solar-hydrogen energy system is a very promising potential alternative for low power applications requiring a total electricity self-sufficiency. (Author).

Dynamic State Space Partitioning for External Memory Model Checking

DEFF Research Database (Denmark)

Evangelista, Sami; Kristensen, Lars Michael

2009-01-01

We describe a dynamic partitioning scheme usable by model checking techniques that divide the state space into partitions, such as most external memory and distributed model checking algorithms. The goal of the scheme is to reduce the number of transitions that link states belonging to different...

Efficient Partitioning of Large Databases without Query Statistics

Directory of Open Access Journals (Sweden)

Shahidul Islam KHAN

2016-11-01

Full Text Available An efficient way of improving the performance of a database management system is distributed processing. Distribution of data involves fragmentation or partitioning, replication, and allocation process. Previous research works provided partitioning based on empirical data about the type and frequency of the queries. These solutions are not suitable at the initial stage of a distributed database as query statistics are not available then. In this paper, I have presented a fragmentation technique, Matrix based Fragmentation (MMF, which can be applied at the initial stage as well as at later stages of distributed databases. Instead of using empirical data, I have developed a matrix, Modified Create, Read, Update and Delete (MCRUD, to partition a large database properly. Allocation of fragments is done simultaneously in my proposed technique. So using MMF, no additional complexity is added for allocating the fragments to the sites of a distributed database as fragmentation is synchronized with allocation. The performance of a DDBMS can be improved significantly by avoiding frequent remote access and high data transfer among the sites. Results show that proposed technique can solve the initial partitioning problem of large distributed databases.

Measurement of the total solar energy transmittance (g-value) for conventional glazings

DEFF Research Database (Denmark)

Duer, Karsten

1998-01-01

Three different glazings have been investigated in the Danish experimental setup METSET. (A device for calorimetric measurement of total solar energy transmittance - g-value).The purpose of the measurements is to increase the confidence in the calorimetric measurements. This is done by comparison...

Hadronic multiplicity and total cross-section: a new scaling in wide energy range

International Nuclear Information System (INIS)

Kobylinsky, N.A.; Martynov, E.S.; Shelest, V.P.

1983-01-01

The ratio of mean multiplicity to total cross-section is shown to be the same for all the Regge models and to rise with energy as lns which is confirmed by experimental data. Hence, a power of multiplicity growth is unambiguously connected with that of total cross-section. As regards the observed growth, approximately ln 2 s, it tells about a dipole character of pomeron singularity

Unpartitioned versus incompletely partitioned cochleae: radiologic differentiation.

Science.gov (United States)

Sennaroglu, Levent; Saatci, Isil

2004-07-01

In the process of evaluating our patients, we realized that the term "Mondini deformity" was being used to describe two different types of incomplete partition of the cochlea. THE First one consisted of an unpartitioned, completely empty cochlea where the interscalar septum and entire modiolus were absent, giving the cochlea a cystic appearance; a grossly dilated vestibule accompanied this lesion. The second pathology fitted the classic description of Mondini deformity, consisting of a normal basal turn and cystic apex (where the middle and apical turns form a cystic cavity), dilated vestibule, and enlarged vestibular aqueduct. This study was planned to investigate the differences between the two types of incomplete partition for inner ear malformations based on radiologic features. We conducted a retrospective review of temporal bone computed tomography (CT) findings. The subjects were 18 patients with profound bilateral sensorineural hearing loss who had high-resolution CT with contiguous 1-mm thick images obtained through the petrous bone in axial sections. The CT results were reviewed as incomplete partition type I (IP-I) and type II (IP-II). Incomplete partition type I (unpartitioned cochlea, cystic cochleovestibular malformation) is defined as a malformation in which the cochlea lacks the entire modiolus and interscalar septa, resulting in a cystic appearance and there is an accompanying grossly dilated vestibule. In incomplete partition type II (incompletely partitioned cochlea, the Mondini deformity), there is a cochlea comprised of a normal basal turn and cystic apex accompanied by a minimally dilated vestibule and enlarged vestibular aqueduct (VA). Measurements involving the cochlea, vestibule, vestibular aqueduct, and internal auditory canal (IAC) were done to determine the characteristic features of these pathologies. : Thirteen ears had IP-I and 18 ears had IP-II anomaly. The size of the cochleae in both anomalies showed no significant difference from

RNA graph partitioning for the discovery of RNA modularity: a novel application of graph partition algorithm to biology.

Directory of Open Access Journals (Sweden)

Namhee Kim

Full Text Available Graph representations have been widely used to analyze and design various economic, social, military, political, and biological networks. In systems biology, networks of cells and organs are useful for understanding disease and medical treatments and, in structural biology, structures of molecules can be described, including RNA structures. In our RNA-As-Graphs (RAG framework, we represent RNA structures as tree graphs by translating unpaired regions into vertices and helices into edges. Here we explore the modularity of RNA structures by applying graph partitioning known in graph theory to divide an RNA graph into subgraphs. To our knowledge, this is the first application of graph partitioning to biology, and the results suggest a systematic approach for modular design in general. The graph partitioning algorithms utilize mathematical properties of the Laplacian eigenvector (µ2 corresponding to the second eigenvalues (λ2 associated with the topology matrix defining the graph: λ2 describes the overall topology, and the sum of µ2's components is zero. The three types of algorithms, termed median, sign, and gap cuts, divide a graph by determining nodes of cut by median, zero, and largest gap of µ2's components, respectively. We apply these algorithms to 45 graphs corresponding to all solved RNA structures up through 11 vertices (∼ 220 nucleotides. While we observe that the median cut divides a graph into two similar-sized subgraphs, the sign and gap cuts partition a graph into two topologically-distinct subgraphs. We find that the gap cut produces the best biologically-relevant partitioning for RNA because it divides RNAs at less stable connections while maintaining junctions intact. The iterative gap cuts suggest basic modules and assembly protocols to design large RNA structures. Our graph substructuring thus suggests a systematic approach to explore the modularity of biological networks. In our applications to RNA structures, subgraphs

Cylindric partitions, {{\\boldsymbol{ W }}}_{r} characters and the Andrews-Gordon-Bressoud identities

Science.gov (United States)

Foda, O.; Welsh, T. A.

2016-04-01

We study the Andrews-Gordon-Bressoud (AGB) generalisations of the Rogers-Ramanujan q-series identities in the context of cylindric partitions. We recall the definition of r-cylindric partitions, and provide a simple proof of Borodin’s product expression for their generating functions, that can be regarded as a limiting case of an unpublished proof by Krattenthaler. We also recall the relationships between the r-cylindric partition generating functions, the principal characters of {\\hat{{sl}}}r algebras, the {{\\boldsymbol{ M }}}r r,r+d minimal model characters of {{\\boldsymbol{ W }}}r algebras, and the r-string abaci generating functions, providing simple proofs for each. We then set r = 2, and use two-cylindric partitions to re-derive the AGB identities as follows. Firstly, we use Borodin’s product expression for the generating functions of the two-cylindric partitions with infinitely long parts, to obtain the product sides of the AGB identities, times a factor {(q;q)}∞ -1, which is the generating function of ordinary partitions. Next, we obtain a bijection from the two-cylindric partitions, via two-string abaci, into decorated versions of Bressoud’s restricted lattice paths. Extending Bressoud’s method of transforming between restricted paths that obey different restrictions, we obtain sum expressions with manifestly non-negative coefficients for the generating functions of the two-cylindric partitions which contains a factor {(q;q)}∞ -1. Equating the product and sum expressions of the same two-cylindric partitions, and canceling a factor of {(q;q)}∞ -1 on each side, we obtain the AGB identities.

Partitioning of polar and non-polar neutral organic chemicals into human and cow milk.

Science.gov (United States)

Geisler, Anett; Endo, Satoshi; Goss, Kai-Uwe

2011-10-01

The aim of this work was to develop a predictive model for milk/water partition coefficients of neutral organic compounds. Batch experiments were performed for 119 diverse organic chemicals in human milk and raw and processed cow milk at 37°C. No differences (milk were observed. The polyparameter linear free energy relationship model fit the calibration data well (SD=0.22 log units). An experimental validation data set including hormones and hormone active compounds was predicted satisfactorily by the model. An alternative modelling approach based on log K(ow) revealed a poorer performance. The model presented here provides a significant improvement in predicting enrichment of potentially hazardous chemicals in milk. In combination with physiologically based pharmacokinetic modelling this improvement in the estimation of milk/water partitioning coefficients may allow a better risk assessment for a wide range of neutral organic chemicals. Copyright © 2011 Elsevier Ltd. All rights reserved.

Partitioning and transmutation. Annual Report 1997

Energy Technology Data Exchange (ETDEWEB)

Enarsson, Aa; Landgren, A; Liljenzin, J O; Skaalberg, M; Spjuth, L [Chalmers Univ. of Technology, Goeteborg (Sweden). Dept. of Nuclear Chemistry

1997-12-01

The current research project on partitioning and transmutation at the Dept. of Nuclear Chemistry, CTH, has the primary objective to investigate separation processes useful in connection with transmutation of long-lived radionuclides in high level nuclear waste. Partitioning is necessary in order to recover and purify the elements before and after each irradiation in a P and T treatment. In order to achieve a high transmutation efficiency the chemical separation process used must have small losses to various waste streams. At present, only aqueous based separation processes are known to be able to achieve the high recovery and separation efficiencies necessary for a useful P and T process. Refs, figs, tabs.

Total cross section for hadron production by e+e- annihilation at PETRA energies

International Nuclear Information System (INIS)

Bartel, W.; Canzler, T.; Cords, D.; Dittmann, P.; Eichler, R.; Felst, R.; Godermann, E.; Haidt, D.; Kawabata, S.; Krehbiel, H.

1979-10-01

The cross section for the process e + e - → multihadrons has been measured at the highest PETRA energies. We measure R (the total cross-section in units of the point-like e + e - → μ + μ - cross-section) to be 2.9 +- 0.7, 4.0 +- 0.5, 4.6 +- 0.4 and 4.2 +- 0.6 at √s of 22, 27.7, 30 and 31.6 GeV respectively. The observed average multiplicity, together with existing low energy data, indicate a rapid increase in multiplicity with increasing energy. (orig.)

Dynamic criteria for partitioning and transmutation

International Nuclear Information System (INIS)

Lu, A.H.

1991-11-01

This paper addresses dynamic criteria intended to optimize partitioning and transmutation (P-T) concept development supporting improved nuclear waste management. Six criteria are proposed initially and the rationale for each is briefly explained. Each criterion is used as a measure (or dimension) on which the developed concepts can be evaluated. The criteria allow the P-T concepts to be evaluated in an integral system including long-term energy needs, fuel cycle, and waste management. New criteria will be identified along with the P-T concept development, and each criterion will be realistically weighted so that it is comparable in an overall criteria evaluation. The weights are subject to change as a result of technical advancements and public perception on various issues. Incomplete criteria will result in a poor choice because important factors may not be considered when the decision is made. A successful decision on the optimal P-T system depends on the completeness of criteria (dimensions) as well as realistic weights assigned to each criterion

The position value for partition function form network games

NARCIS (Netherlands)

Nouweland, van den C.G.A.M.; Slikker, M.

We use the axiomatization of the position value for network situations in van den Nouweland and Slikker (2012) to define a position value for partition function form network situations. We do this by generalizing the axioms to the partition function form value function setting as studied in Navarro

Total cross sections for electron scattering by CO2 molecules in the energy range 400 endash 5000 eV

International Nuclear Information System (INIS)

Garcia, G.; Manero, F.

1996-01-01

Total cross sections for electron scattering by CO 2 molecules in the energy range 400 endash 5000 eV have been measured with experimental errors of ∼3%. The present results have been compared with available experimental and theoretical data. The dependence of the total cross sections on electron energy shows an asymptotic behavior with increasing energies, in agreement with the Born-Bethe approximation. In addition, an analytical formula is provided to extrapolate total cross sections to higher energies. copyright 1996 The American Physical Society

Using measured octanol-air partition coefficients to explain environmental partitioning of organochlorine pesticides.

Science.gov (United States)

Shoeib, Mahiba; Harner, Tom

2002-05-01

Octanol-air partition coefficients (Koa) were measured directly for 19 organochlorine (OC) pesticides over the temperature range of 5 to 35 degrees C. Values of log Koa at 25 degrees C ranged over three orders of magnitude, from 7.4 for hexachlorobenzene to 10.1 for 1,1-dichloro-2,2-bis(p-chlorophenyl) ethane. Measured values were compared to values calculated as KowRT/H (where R is the ideal gas constant [8.314 J mol(-1) K(-1)], T is absolute temperature, and H is Henry's law constant) were, in general, larger. Discrepancies of up to three orders of magnitude were observed, highlighting the need for direct measurements of Koa. Plots of Koa versus inverse absolute temperature exhibited a log-linear correlation. Enthalpies of phase transition between octanol and air (deltaHoa) were determined from the temperature slopes and were in the range of 56 to 105 kJ mol(-1) K(-1). Activity coefficients in octanol (gamma(o)) were determined from Koa and reported supercooled liquid vapor pressures (pL(o)), and these were in the range of 0.3 to 12, indicating near-ideal solution behavior. Differences in Koa values for structural isomers of hexachlorocyclohexane were also explored. A Koa-based model was described for predicting the partitioning of OC pesticides to aerosols and used to calculate particulate fractions at 25 and -10 degrees C. The model also agreed well with experimental results for several OC pesticides that were equilibrated with urban aerosols in the laboratory. A log-log regression of the particle-gas partition coefficient versus Koa had a slope near unity, indicating that octanol is a good surrogate for the aerosol organic matter.

Surface Modifications of Support Partitions for Stabilizing Biomimetic Membrane Arrays

DEFF Research Database (Denmark)

Perry, Mark; Hansen, Jesper Schmidt; Jensen, Karin Bagger Stibius

2011-01-01

with a high signal-to-noise (s/n) ratio. We demonstratesd this by reconstituting gA and α-hemolysin (α-HL) into BLM arrays. The improvement in membrane array lifetime and s/n ratio demonstrates that surface plasma polymerization of the supporting partition can be used to increase the stability of biomimetic......Black lipid membrane (BLM) formation across apertures in an ethylene tetra-fluoroethylene (ETFE) partition separating two aqueous compartments is an established technique for the creation of biomimetic membranes. Recently multi-aperture BLM arrays have attracted interest and in order to increase...... BLM array stability we studied the effect of covalently modifying the partition substrate using surface plasma polymerization with hydrophobic n-hexene, 1-decene and hexamethyldisiloxane (HMDSO) as modification groups. Average lifetimes across singlesided HMDSO modified partitions or using 1-decene...

Scanning Auger microscopy study of lanthanum partitioning in sphene-based glass-ceramics

International Nuclear Information System (INIS)

Hocking, W.H.; Hayward, P.J.; Watson, D.G.; Allen, G.C.

1984-01-01

Glass-ceramics are being investigated as possible hosts for the radioactive wastes that would result from recycling irradiated nuclear fuels. The partitioning of lanthanum in sphene-based glass-ceramics has been studied by scanning Auger electron microscopy for lanthanum concentrations from 0.2 to 2.0 mol.%. Sphene crystals (CaTiSiO 5 ) were located in the silica-rich glass matrix by recording digital Auger images of the calcium and titanium distributions. The sphene crystals were typically 0.5 to 5 μm in size and occupied approximately 40% of the total specimen volume. Auger spot analyses revealed that lanthanum was strongly partitioned into the sphene phase of phosphorus-free glass-ceramics; however, when a small amount of phosphorus was included in the glass-ceramic composition as a crystal nucleating agent, the lanthanum was concentrated in a third minor phase which also contained calcium, phosphorus and oxygen. Chemical shift effects in the Auger spectra of silicon, titanium and phosphorus showed evidence for electron-stimulated desorption of oxygen. (author)

Partitioning of polychlorinated biphenyls into human cells and adipose tissues: evaluation of octanol, triolein, and liposomes as surrogates.

Science.gov (United States)

Quinn, Cristina L; van der Heijden, Stephan A; Wania, Frank; Jonker, Michiel T O

2014-05-20

Whereas octanol, triacylglycerides, and liposomes have all been proposed as surrogates for measuring the affinity of hydrophobic organic contaminants to human lipids, no comparative evaluation of their suitability exists. Here we conducted batch sorption experiments with polyoxymethylene passive samplers to determine the partition coefficients at 37 °C of 18 polychlorinated biphenyls (PCBs) from water into (i) triolein (Ktriolein/water), (ii) eight types of liposomes (Kliposome/water), (iii) human abdominal fat tissues (KAFT/water) from seven individuals, and (iv) human MCF-7 cells cultured in vitro (Kcell/water). Differences between KAFT/water among individuals and between Kliposome/water among liposome types were very small and not correlated to structural attributes of the PCBs. Similarly, the length and degree of saturation of the phospholipid carbon chains, the headgroup, and the composition of the liposome did not affect the partitioning of PCBs into the studied liposomes. Whereas Kliposome/water values were similar to literature values of Koctanol/water adjusted to 37 °C, they both were lower than KAFT/water and Kcell/water by a factor of 3 on average. Partitioning of PCBs into triolein on the other hand closely mimicked that into human lipids, for which triolein is thus a better surrogate than either octanol or liposomes. Previously published polyparameter linear free energy relationships for partitioning from water into storage lipids and liposomes predicted the measured partition coefficients with a root-mean-square error of less than 0.15 log units, if the chosen equations and solute descriptors do not allow chlorine substitution in the ortho-position to influence the prediction. By guiding the selection of (i) a surrogate for the experimental determination and (ii) a method for the prediction of partitioning into human lipids, this study contributes to a better assessment of hydrophobic organic contaminant bioaccumulation in humans.

Exact partition functions for gauge theories on Rλ3

Directory of Open Access Journals (Sweden)

Jean-Christophe Wallet

2016-11-01

Full Text Available The noncommutative space Rλ3, a deformation of R3, supports a 3-parameter family of gauge theory models with gauge-invariant harmonic term, stable vacuum and which are perturbatively finite to all orders. Properties of this family are discussed. The partition function factorizes as an infinite product of reduced partition functions, each one corresponding to the reduced gauge theory on one of the fuzzy spheres entering the decomposition of Rλ3. For a particular sub-family of gauge theories, each reduced partition function is exactly expressible as a ratio of determinants. A relation with integrable 2-D Toda lattice hierarchy is indicated.

b-tree facets for the simple graph partitioning polytope

DEFF Research Database (Denmark)

Sørensen, Michael Malmros

2004-01-01

The simple graph partitioning problem is to partition an edge-weighted graph into mutually disjoint subgraphs, each consisting of no more than b nodes, such that the sum of the weights of all edges in the subgraphs is maximal. In this paper we introduce a large class of facet defining inequalities...... for the simple graph partitioning polytopes P_n(b), b >= 3, associated with the complete graph on n nodes. These inequalities are induced by a graph configuration which is built upon trees of cardinality b. We provide a closed-form theorem that states all necessary and sufficient conditions for the facet...... defining property of the inequalities. Udgivelsesdato: JUN...

Factorisations for partition functions of random Hermitian matrix models

International Nuclear Information System (INIS)

Jackson, D.M.; Visentin, T.I.

1996-01-01

The partition function Z N , for Hermitian-complex matrix models can be expressed as an explicit integral over R N , where N is a positive integer. Such an integral also occurs in connection with random surfaces and models of two dimensional quantum gravity. We show that Z N can be expressed as the product of two partition functions, evaluated at translated arguments, for another model, giving an explicit connection between the two models. We also give an alternative computation of the partition function for the φ 4 -model.The approach is an algebraic one and holds for the functions regarded as formal power series in the appropriate ring. (orig.)

Intramolecular energy transfer and mode-specific effects in unimolecular reactions of 1,2-difluoroethane

Science.gov (United States)

Raff, Lionel M.

1989-06-01

The unimolecular decomposition reactions of 1,2-difluoroethane upon mode-specific excitation to a total internal energy of 7.5 eV are investigated using classical trajectory methods and a previously formulated empirical potential-energy surface. The decomposition channels for 1,2-difluoroethane are, in order of importance, four-center HF elimination, C-C bond rupture, and hydrogen-atom dissociation. This order is found to be independent of the particular vibrational mode excited. Neither fluorine-atom nor F2 elimination reactions are ever observed even though these dissociation channels are energetically open. For four-center HF elimination, the average fraction of the total energy partitioned into internal HF motion varies between 0.115-0.181 depending upon the particular vibrational mode initially excited. The internal energy of the fluoroethylene product lies in the range 0.716-0.776. Comparison of the present results with those previously obtained for a random distribution of the initial 1,2-difluoroethane internal energy [J. Phys. Chem. 92, 5111 (1988)], shows that numerous mode-specific effects are present in these reactions in spite of the fact that intramolecular energy transfer rates for this system are 5.88-25.5 times faster than any of the unimolecular reaction rates. Mode-specific excitation always leads to a total decomposition rate significantly larger than that obtained for a random distribution of the internal energy. Excitation of different 1,2-difluoroethane vibrational modes is found to produce as much as a 51% change in the total decomposition rate. Mode-specific effects are also seen in the product energy partitioning. The rate coefficients for decomposition into the various channels are very sensitive to the particular mode excited. A comparison of the calculated mode-specific effects with the previously determined mode-to-mode energy transfer rate coefficients [J. Chem. Phys. 89, 5680 (1988)] shows that, to some extent, the presence of mode

Recent research and development activities on partitioning and transmutation of radioactive nuclides in Japan

International Nuclear Information System (INIS)

Minato, K.; Ikegami, T.; Inoue, T.

2005-01-01

In Japan, research and development activities for partitioning and transmutation (P and T) have been promoted under the OMEGA programme for more than 15 years. These activities were reviewed by the Atomic Energy Commission in Japan in 2000. In accordance with the results of the review, three institutes, the Japan Atomic Energy Research Institute (JAERI), the Japan Nuclear Cycle Development Institute (JNC) and the Central Research Institute of Electric Power Industry (CRIEPI), are continuing the research and development on the P and T technology. This report summarises the recent activities in Japan by these institutes. JAERI is engaging in the research and development on the Double-strata Fuel Cycle concept consisting of the partitioning process of the high-level waste and the dedicated transmutation cycle using the accelerator driven system (ADS) fuelled with the minor actinide (MA) nitride fuel. JNC and CRIEPI are engaging in the research and development on the P and T technology using commercialized fast reactors (FR), where JNC is mainly in charge of the MOX fuel and the aqueous reprocessing, while CRIEPI is mainly in charge of the metallic fuel and the dry reprocessing. The research and development activities on FR are organised under the Feasibility Study on Commercialized Fast Reactor Cycle Systems. (authors)

Effect of Strain, Region, and Tissue Composition on Glucose Partitioning in Meniscus Fibrocartilage.

Science.gov (United States)

Kleinhans, Kelsey L; Jackson, Alicia R

2017-03-01

A nearly avascular tissue, the knee meniscus relies on diffusive transport for nutritional supply to cells. Nutrient transport depends on solute partitioning in the tissue, which governs the amount of nutrients that can enter a tissue. The purpose of the present study was to investigate the effects of mechanical strain, tissue region, and tissue composition on the partition coefficient of glucose in meniscus fibrocartilage. A simple partitioning experiment was employed to measure glucose partitioning in porcine meniscus tissues from two regions (horn and central), from both meniscal components (medial and lateral), and at three levels of compression (0%, 10%, and 20%). Partition coefficient values were correlated to strain level, water volume fraction, and glycosaminoglycan (GAG) content of tissue specimens. Partition coefficient values ranged from 0.47 to 0.91 (n = 48). Results show that glucose partition coefficient is significantly (p < 0.001) affected by compression, decreasing with increasing strain. Furthermore, we did not find a statistically significant effect of tissue when comparing medial versus lateral (p = 0.181) or when comparing central and horn regions (p = 0.837). There were significant positive correlations between tissue water volume fraction and glucose partitioning for all groups. However, the correlation between GAG content and partitioning was only significant in the lateral horn group. Determining how glucose partitioning is affected by tissue composition and loading is necessary for understanding nutrient availability and related tissue health and/or degeneration. Therefore, this study is important for better understanding the transport and nutrition-related mechanisms of meniscal degeneration.

RNAdualPF: software to compute the dual partition function with sample applications in molecular evolution theory.

Science.gov (United States)

Garcia-Martin, Juan Antonio; Bayegan, Amir H; Dotu, Ivan; Clote, Peter

2016-10-19

RNA inverse folding is the problem of finding one or more sequences that fold into a user-specified target structure s 0 , i.e. whose minimum free energy secondary structure is identical to the target s 0 . Here we consider the ensemble of all RNA sequences that have low free energy with respect to a given target s 0 . We introduce the program RNAdualPF, which computes the dual partition function Z ∗ , defined as the sum of Boltzmann factors exp(-E(a,s 0 )/RT) of all RNA nucleotide sequences a compatible with target structure s 0 . Using RNAdualPF, we efficiently sample RNA sequences that approximately fold into s 0 , where additionally the user can specify IUPAC sequence constraints at certain positions, and whether to include dangles (energy terms for stacked, single-stranded nucleotides). Moreover, since we also compute the dual partition function Z ∗ (k) over all sequences having GC-content k, the user can require that all sampled sequences have a precise, specified GC-content. Using Z ∗ , we compute the dual expected energy 〈E ∗ 〉, and use it to show that natural RNAs from the Rfam 12.0 database have higher minimum free energy than expected, thus suggesting that functional RNAs are under evolutionary pressure to be only marginally thermodynamically stable. We show that C. elegans precursor microRNA (pre-miRNA) is significantly non-robust with respect to mutations, by comparing the robustness of each wild type pre-miRNA sequence with 2000 [resp. 500] sequences of the same GC-content generated by RNAdualPF, which approximately [resp. exactly] fold into the wild type target structure. We confirm and strengthen earlier findings that precursor microRNAs and bacterial small noncoding RNAs display plasticity, a measure of structural diversity. We describe RNAdualPF, which rapidly computes the dual partition function Z ∗ and samples sequences having low energy with respect to a target structure, allowing sequence constraints and specified GC

Temporal energy partitions of Florida extreme sea level events as a function of Atlantic multidecadal oscillation

Directory of Open Access Journals (Sweden)

J. Park

2010-06-01

Full Text Available An energy-conservative metric based on the discrete wavelet transform is applied to assess the relative energy distribution of extreme sea level events across different temporal scales. The metric is applied to coastal events at Key West and Pensacola Florida as a function of two Atlantic Multidecadal Oscillation (AMO regimes. Under AMO warm conditions there is a small but significant redistribution of event energy from nearly static into more dynamic (shorter duration timescales at Key West, while at Pensacola the AMO-dependent changes in temporal event behaviour are less pronounced. Extreme events with increased temporal dynamics might be consistent with an increase in total energy of event forcings which may be a reflection of more energetic storm events during AMO warm phases. As dynamical models mature to the point of providing regional climate index predictability, coastal planners may be able to consider such temporal change metrics in planning scenarios.