A discussion of the kamlet-jacobs formula for the detonation pressure

Energy Technology Data Exchange (ETDEWEB)

Kazandjian, Luc; Danel, Jean-Francois [Commissariat a l' Energie Atomique, Centre CEA-DIF, B. P. 12, F-91680 Bruyeres-le-Chatel (France)

2006-02-15

The main features of the Kamlet-Jacobs formula for the detonation pressure of C-H-N-O explosives are analytically derived from a BKW (Becker-Kistiakowsky-Wilson) equation of state of the detonation products. In the derivation, well-known typical values at the Chapman-Jouguet state, in particular the nearly constant value of the relative volume of the detonation products, are used. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

Multiprobe Spectroscopic Inverstigation of Molecular-level Behavior within Aqueous 1-Butyl-3-methylimidazolium Tetrafluoroborate

Energy Technology Data Exchange (ETDEWEB)

Sarkar, Abhra [Indian Institute of Technology, Delhi; Ali, Maroof [Indian Institute of Technology, Delhi; Baker, Gary A [ORNL; Tetin, Sergey Y. [Abbott Laboratories; Ruan, Qiaoqiao [Abbott Laboratories; Pandey, Siddharth [Indian Institute of Technology, Delhi

2009-01-01

In this work, an array of molecular-level solvent featuressincluding solute-solvent/solvent-solvent interactions, dipolarity, heterogeneity, dynamics, probe accessibility, and diffusionswere investigated across the entire composition of ambient mixtures containing the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate, [bmim][BF4], and pH 7.0 phosphate buffer, based on results assembled for nine different molecular probes utilized in a range of spectroscopic modes. These studies uncovered interesting and unusual solvatochromic probe behavior within this benchmark mixture. Solvatochromic absorbance probessa watersoluble betaine dye (betaine dye 33), N,N-diethyl-4-nitroaniline, and 4-nitroanilineswere employed to determine ET (a blend of dipolarity/polarizability and hydrogen bond donor contributions) and the Kamlet-Taft indices * (dipolarity/polarizability), R (hydrogen bond donor acidity), and (hydrogen bond acceptor basicity) characterizing the [bmim][BF4] + phosphate buffer system. These parameters each showed a marked deviation from ideality, suggesting selective solvation of the individual probe solutes by [bmim][BF4]. Similar conclusions were derived from the responses of the fluorescent polarity-sensitive probes pyrene and pyrene-1-carboxaldehyde. Importantly, the fluorescent microfluidity probe 1,3-bis(1-pyrenyl)propane senses a microviscosity within the mixture that significantly exceeds expectations derived from simple interpolation of the behavior in the neat solvents. On the basis of results from this probe, a correlation between microviscosity and bulk viscosity was established; pronounced solvent-solvent hydrogen-bonding interactions were implicit in this behavior. The greatest deviation from ideal additive behavior for the probes studied herein was consistently observed to occur in the buffer-rich regime. Nitromethane-based fluorescence quenching of pyrene within the [bmim][BF4] + phosphate buffer system showed unusual compliance with a sphere

Triphenylamine-based fluorescent NLO phores with ICT characteristics: Solvatochromic and theoretical study

Science.gov (United States)

Katariya, Santosh B.; Patil, Dinesh; Rhyman, Lydia; Alswaidan, Ibrahim A.; Ramasami, Ponnadurai; Sekar, Nagaiyan

2017-12-01

The static first and second hyperpolarizability and their related properties were calculated for triphenylamine-based "push-pull" dyes using the B3LYP, CAM-B3LYP and BHHLYP functionals in conjunction with the 6-311+G(d,p) basis set. The electronic coupling for the electron transfer reaction of the dyes were calculated with the generalized Mulliken-Hush method. The results obtained were correlated with the polarizability parameter αCT , first hyperpolarizability parameter βCT, and the solvatochromic descriptor of 〈 γ〉 SD obtained by the solvatochromic method. The dyes studied show a high total first order hyperpolarizability (70-238 times) and second order hyperpolarizability (412-778 times) compared to urea. Among the three functionals, the CAM-B3LYP and BHHLYP functionals show hyperpolarizability values closer to experimental values. Experimental absorption and emission wavelengths measured for all the synthesized dyes are in good agreement with those predicted using the time-dependent density functional theory. The theoretical examination on non-linear optical properties was performed on the key parameters of polarizability and hyperpolarizability. A remarkable increase in non-linear optical response is observed on insertion of benzothiazole unit compared to benzimidazole unit.

Kinetics of hydrogen peroxide decomposition by catalase: hydroxylic solvent effects.

Science.gov (United States)

Raducan, Adina; Cantemir, Anca Ruxandra; Puiu, Mihaela; Oancea, Dumitru

2012-11-01

The effect of water-alcohol (methanol, ethanol, propan-1-ol, propan-2-ol, ethane-1,2-diol and propane-1,2,3-triol) binary mixtures on the kinetics of hydrogen peroxide decomposition in the presence of bovine liver catalase is investigated. In all solvents, the activity of catalase is smaller than in water. The results are discussed on the basis of a simple kinetic model. The kinetic constants for product formation through enzyme-substrate complex decomposition and for inactivation of catalase are estimated. The organic solvents are characterized by several physical properties: dielectric constant (D), hydrophobicity (log P), concentration of hydroxyl groups ([OH]), polarizability (α), Kamlet-Taft parameter (β) and Kosower parameter (Z). The relationships between the initial rate, kinetic constants and medium properties are analyzed by linear and multiple linear regression.

Solvation analysis of some Solvatochromic probes in binary mixtures of reline, ethaline, and glyceline with DMSO

Czech Academy of Sciences Publication Activity Database

Harifi-Mood, A.R.; Ghobadi, R.; Matić, S.; Minofar, Babak; Řeha, David

2016-01-01

Roč. 22, OCT 2016 (2016), s. 845-853 ISSN 0167-7322 R&D Projects: GA ČR GA13-21053S; GA MŠk(CZ) LM2015055 Institutional support: RVO:61388971 Keywords : Deep eutectic solvents * Solvatochromic parameters * Preferential solvation Subject RIV: EE - Microbiology, Virology Impact factor: 3.648, year: 2016

Solvent polarity scale on the fluorescence spectra of a dansyl monomer copolymerizable in aqueous media

Science.gov (United States)

Ren, Biye; Gao, Feng; Tong, Zhen; Yan, Yu

1999-06-01

A copolymerizable fluorescent monomer N-[2-[[[5-(N,N-dimethylamino)-1-naphthalenyl]sulfonyl]-amino]ethyl]-2-propenamide (DANSAEP) was synthesized, which exhibits dual fluorescence due to the twisted intramolecular charge transfer in the excited state. The emission maximum λem shifts from 463.3 nm in n-hexane to 530.0 nm in water, showing solvent polarity dependence. The relations between λem and the conventional solvent polarity parameters ET(30) or Z are linear, dividing solvents into protic and aprotic groups. Kamlet's linear solvation energy relationship gives a good description for λem as a solvent polarity scale. The increment of dipole moment Δ μ at the excited state was estimated as 5.09 D with the solvatochromic analysis.

Correlation analysis of reactivity in the oxidation of methionine by benzimidazolium fluorochromate in different mole fractions of acetic acid–water mixture

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S. Sheik Mansoor

2016-09-01

Full Text Available The kinetics of oxidation of methionine (Met by benzimidazolium fluorochromate (BIFC has been studied in the presence of chloroacetic acid. The reaction is first order with respect to methionine, BIFC and acid. The reaction rate has been determined at different temperatures and activation parameters calculated. With an increase in the mole fraction of acetic acid in its aqueous mixture, the rate increases. The solvent effect has been analyzed using the Kamlet’s multi parametric equation. A correlation of data with the Kamlet–Taft solvatochromic parameters (α, β, π∗ suggests that the specific solute–solvent interactions play a major role in governing the reactivity. The reaction does not induce polymerization of acrylonitrile. A suitable mechanism has been proposed.

Oxidation of methionine by tetraethylammonium chlorochromate in non-aqueous media – A kinetic and mechanistic study

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S. Sheik Mansoor

2015-07-01

Full Text Available The kinetics of oxidation of methionine (Met by tetraethylammonium chlorochromate (TEACC in dimethyl sulfoxide (DMSO leads to the formation of the corresponding sulfoxide. The reaction is first order each in Met and TEACC. The reaction is catalyzed by hydrogen ions. The hydrogen ion dependence has the form : kobs = a + b [H+]. The reaction rate has been determined at different temperatures and activation parameters are calculated. The solvent effect has been analyzed using Kamlet’s multi parametric equation. A correlation of data with Kamlet–Taft solvatochromic parameters (α, β, π∗ suggests that the specific solute–solvent interactions play a major role in governing the reactivity. The reaction does not induce polymerization of acrylonitrile. A suitable mechanism has been proposed.

William H. Taft High School Project HOLA, 1985-1986. OEA Evaluation Report.

Science.gov (United States)

New York City Board of Education, Brooklyn. Office of Educational Assessment.

Project HOLA at William H. Taft High School (Bronx, New York) assists foreign-born and Puerto Rican-born students to quickly assists foreign- and Puerto Rican-born students to quickly acquire English language skills and an American cultural orientation; to maintain or improve their Spanish language skills and cultural knowledge; and to be…

William H. Taft High School Project HOLA, 1986-1987. OEA Evaluation Report.

Science.gov (United States)

Martinez, Ana L.; And Others

In its fourth year of Title VII funding, Project HOLA at William H. Taft High School served 383 Spanish-speaking students of limited English proficiency from low-income families. The program's goals were to develop English language skills for mainstreaming, to develop an understanding and awareness of American culture and society, to develop…

Photophysical properties of a surfactive long-chain styryl merocyanine dye as fluorescent probe

Energy Technology Data Exchange (ETDEWEB)

Ismail, L.F.M., E-mail: Lailafmi@yahoo.com [Al-Azhar University, Faculty of Science, Chemistry Department, Nasr City, 12 Ibrahim El-Nagar, El-Hegaz Sq. Heliopolis, Cairo 11315 (Egypt)

2012-09-15

This work deals with detailed investigations of the photophysical properties of a styryl merocyanine dye, namely 1-cetyl-4-[4 Prime -(methoxy) styryl]-pyridinium bromide (CMSPB) of molecular rotor type. The solvatochromic analyses of the data in different solvents using the Kamlet-Taft parameters ({alpha}, {beta}, {pi}{sup Low-Asterisk }) were discussed. Optical excitation of the studied merocyanine dye populates a CT S{sub 1} state with about 22.64 folds higher dipole moment value relative to that in the S{sub 0} state. Moreover, the effect of solvent viscosity (glycerol at various temperatures (299.0-351.0 K)) on CMSPB fluorescent properties is analyzed to understand the molecular mechanisms of the characteristic increase in CMSPB fluorescence intensity. The results indicate that CMSPB exhibits fluorescent properties typical for molecular rotors. The results show that torsional relaxation dynamics of molecular rotors in high-viscosity solvents cannot be described by the simple stick boundary hydrodynamics defined by the Debye-Stokes-Einstein (DSE) equation. The fluorescence depolarization behavior in glycerol at various temperatures (299.0-351.0 K) shows that the molecular rotational diffusion is controlled by the free volume of the medium. Furthermore, excited state studies in ethanol/chloroform mixture revealed the formation of weak complex with chloroform of stoichiometry 1:1 with formation constant of 0.004l mol{sup -1}. Moreover, the increase of the quantum yield values in micellar solutions of CTAB and SDS relative to that of water indicates that the guest dye molecules are microencapsulated into the hydrophobic interior of host micelle. The obtained non-zero values of fluorescence polarization in micellar solution imply reduced rotational depolarization of dye molecules via association with the surfactant. Upon comparing the spectral data in micelles with those in homogeneous solvent systems, more can be learned of the structural details of the micellar

William H. Taft High School Project HOLA 1984-1985. O.E.A. Evaluation Report.

Science.gov (United States)

New York City Board of Education, Brooklyn. Office of Educational Assessment.

In 1984-85, Project HOLA was in its second year of funding at William H. Taft High School in the Bronx, New York. HOLA serves Spanish-speaking students of limited English proficiency (LEP). Project goals include speedy acquisition of English skills, orientation to life in America, maintenance and improvement of Spanish skills and cultural…

Correlation analysis of reactivity in the oxidation of some para- substituted benzhydrols by triethylammonium chlorochromate in non-aqueous media

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S. Sheik Mansoor

2017-02-01

Full Text Available Triethylammonium chlorochromate (TriEACC oxidation of some para-substituted benzhydrols (BH in dimethylsulfoxide (DMSO leads to the formation of corresponding benzophenones. The reaction was run under pseudo-first-order conditions. The reaction is catalyzed by hydrogen ions. The hydrogen ion dependence has the form: kobs = a + b[H+]. Various thermodynamic parameters for the oxidation have been reported and discussed along with the validity of isokinetic relationship. Oxidation of benzhydrol was studied in 18 different organic solvents. The rate data showing satisfactory correlation with Kamlet–Taft solvatochromic parameters (α, β and π∗ suggests that the specific solute–solvent interactions play a major role in governing the reactivity, and the observed solvent effects have been explained on the basis of solute–solvent complexation. A suitable mechanism of oxidation has been proposed.

Solvent Effects on Oxygen-17 Chemical Shifts in Amides. Quantitative Linear Solvation Shift Relationships

Science.gov (United States)

Díez, Ernesto; Fabián, Jesús San; Gerothanassis, Ioannis P.; Esteban, Angel L.; Abboud, José-Luis M.; Contreras, Ruben H.; de Kowalewski, Dora G.

1997-01-01

A multiple-linear-regression analysis (MLRA) has been carried out using the Kamlet-Abboud-Taft (KAT) solvatochromic parameters in order to elucidate and quantify the solvent effects on the17O chemical shifts ofN-methylformamide (NMF),N,N-dimethylformamide (DMF),N-methylacetamide (NMA), andN,N-dimethylacetamide (DMA). The chemical shifts of the four molecules show the same dependence (in ppm) on the solvent polarity-polarizability, i.e., -22π*. The influence of the solvent hydrogen-bond-donor (HBD) acidities is slightly larger for the acetamides NMA and DMA, i.e., -48α, than for the formamides NMF and DMF, i.e., -42α. The influence of the solvent hydrogen-bond-acceptor (HBA) basicities is negligible for the nonprotic molecules DMF and DMA but significant for the protic molecules NMF and NMA, i.e., -9β. The effect of substituting the N-H hydrogen by a methyl group amounts to -5.9 ppm in NMF and 5.4 ppm in NMA. The effect of substituting the O=C-H hydrogen amounts to 5.5 ppm in NMF and 16.8 ppm in DMF. The model of specific hydration sites of amides by I. P. Gerothanassis and C. Vakka [J. Org. Chem.59,2341 (1994)] is settled in a more quantitative basis and the model by M. I. Burgar, T. E. St. Amour, and D. Fiat [J. Phys. Chem.85,502 (1981)] is critically evaluated.17O hydration shifts have been calculated for formamide (FOR) by the ab initio LORG method at the 6-31G* level. For a formamide surrounded by the four in-plane molecules of water in the first hydration shell, the calculated17O shift change due to the four hydrogen bonds, -83.2 ppm, is smaller than the empirical hydration shift, -100 ppm. The17O shift change from each out-of-plane water molecule hydrogen-bonded to the amide oxygen is -18.0 ppm. These LORG results support the conclusion that no more than four water molecules are hydrogen-bonded to the amide oxygen in formamide.

Solvatochromism in highly luminescent environmental friendly carbon quantum dots for sensing applications: Conversion of bio-waste into bio-asset

Science.gov (United States)

Pramanik, A.; Biswas, S.; Kumbhakar, P.

2018-02-01

Recently studies on synthesis and fluorescence based sensing in biocompatible carbon quantum dots (CQDs) have become a widely spoken topic of research due to the several advantageous properties of CQDs in compared to semiconductor quantum dots. In this work, we have reported the rarely reported solvatochromism along-with a high photoluminescence (PL) quantum yield (PLQY) of 22%. Samples have been synthesized by using a simple process of hydrothermal carbonization of a naturally occurring bio-waste i.e. Aegle marmelos leaves powder. The linear absorption and PL emission characteristics of CQDs have been studied in different solvent environments to explore the origin of the observed excitation dependent PL emissions characteristics of the sample. The interesting solvatochromic PL (SPL) behavior of CQDs are observed at an excitation wavelength of 325 nm by dispersing them in different polar protic and aprotic solvents, which suggest their possible applications as a replacement of solvatochromic dye molecules for sensing applications. Different polarity functions and molecular-microscopic solvent polarity parameter (ETN) are used to calculate the change in dipole moment (Δδ) of the solute-solvent system and the origin of SPL in CQDs has been explained. The SPL behavior of CQDs has been utilized for fluorescence sensing of organic liquids (Ethanol and Tetrahydrofuran) in water. Whereas, the photo-induced electron transfer mediated quenching in PL of aqueous dispersion of CQDs has led to development of ;turn off; fluorescence Fe3 + ion sensor with a detection limit of 0.12 μM. Therefore, this work may open a new avenue of conversion of a bio-waste into a fluorescent bio-asset.

L’histoire photographique de l’Amérique selon Robert Taft (Photography and the American Scene, 1938

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François BRUNET

2011-06-01

Full Text Available Cet article explore la signification et les usages des notions d’« histoire sociale » et de « valeur historique » dans l’ouvrage de Robert Taft, Photography and the American Scene, A Social History 1839-1889 (1938, une référence classique et toujours admise sur la photographie américaine du XIXe siècle, sans être généralement interrogée en tant qu’entreprise historique. On évoque d’abord le contexte de sa publication, avant d’analyser les catégories discursives utilisées par Taft, en commençant par son insistance à repérer les « premières » de la photographie américaine (premier portrait, premier usage de la photographie dans l’exploration de l’Ouest, etc.. Deux concepts implicites dans le livre sont isolés : « l’image-événement », ou image qui fait l’histoire, les deux principaux exemples étant la série de portraits d’Abraham Lincoln par Mathew Brady, censés avoir influencé l’élection de 1860, et les photos de Yellowstone par William H. Jackson (1871, supposées avoir favorisé le vote de la loi créant le Parc National ; puis « l’image-document », témoignage visuel sur la « scène » américaine, que Taft encourage ses lecteurs à collectionner et étudier, comme pour promouvoir la pratique populaire de l’histoire. Les deux dimensions, épique et démocratique, de l’histoire de Taft se reflètent dans son traitement de Mathew Brady, « historien photographique », véritable foyer, en même temps que modèle, de cette histoire.This article examines the meanings and uses of “social history” and “historical value” in Robert Taft’s Photography and the American Scene, A Social History 1839-1889 (1938, a classic text still received as a major reference on 19th-century American photography and yet rarely questioned in its own right as a historical enterprise. We briefly address the context of the book, before analyzing its main discursive categories, starting

Specific solvent effect on lumazine photophysics: A combined fluorescence and intrinsic reaction coordinate analysis

Energy Technology Data Exchange (ETDEWEB)

Moyon, N. Shaemningwar; Gashnga, Pynsakhiat Miki; Phukan, Smritakshi; Mitra, Sivaprasad, E-mail: smitra@nehu.ac.in

2013-06-27

Highlights: • Correlation of lumazine photophysics with multiparametric Kamlet–Taft equation. • Solvent basicity (β) contributes maximum towards the hydrogen bonding (HB) effect. • HB interaction occurs at N1 and N3 proton in S{sub 0} and S{sub 1} state, respectively. • IRC calculation for different tautomerization processes both in S{sub 0} and S{sub 1} states. • Process related to riboflavin biosynthesis is thermodynamically feasible. - Abstract: The photophysical properties and tautomerization behavior of neutral lumazine were studied by fluorescence spectroscopy and density functional theory calculation. A quantitative estimation of the contributions from different solvatochromic parameters, like solvent polarizibility (π{sup ∗}), hydrogen bond donation (α) and hydrogen bond accepting (β) ability of the solvent, was made using linear free energy relationships based on the Kamlet–Taft equation. The analysis reveals that the hydrogen bond acceptance ability of the solvent is the most important parameter characterizing the excited state behavior of lumazine. Theoretical calculations result predict an extensive charge redistribution of lumazine upon excitation corresponding to the N3 and N1 proton dissociation sites by solvents in the ground and excited states, respectively. Comparison of S{sub 0} and S{sub 1} state potential energy curves constructed for several water mediated tautomerization processes by intrinsic reaction coordinate analysis of lumazine-H{sub 2}O cluster shows that (3,2) and (1,8) hydrogen migrations are the most favorable processes upon excitation.

A Tetrahydrofuran-selective Optical Solvent Sensor Based on Solvatochromic Polydiacetylene

International Nuclear Information System (INIS)

Park, Dong-Hoon; Kim, Bubsung; Kim, Jong-Man

2016-01-01

Polydiacetylene (PDAs) have received great attention as colorimetric sensors since these conjugated polymers undergo a blue-to-red color change upon various chemical/biochemical and physical stimuli. PDAs have been reported to display thermochromism (heat), solvatochromism (solvent), mechanochromism (mechanical strain) as well as magnetochromism (magnetic force) electrochromism (electric current), and affinochromism (ligand-receptor interaction). The solvent induced color change of PDA is generally non-specific and irreversible. For instance, the PDA derived from 10,12-pentacosadiynoic acid (PCDA) undergoes a blue-to-red (or purple) color change upon exposure to many common organic solvents including tetrahydrofuran (THF), chloroform, dichloromethane, acetone, methanol (MeOH), ethyl acetate (EA), and diethyl ether. The results obtained from Raman spectral analysis suggests that exposure to THF causes the distortion of the backbone of the polymer main chain and some conformational changes in the aliphatic side chain. Solvatochromism of a PDA is closely related to the solubility of a diacetylene monomer. PDA undergoes a color change when the dissolution of unpolymerized monomers causes some void in the PDA supramolecules. Since PCDA-mBzA has a good solubility only in THF, colorimetric transition of PDA occurs only in response to THF. Since solubility of a diacetylene monomer can be manipulated by structural change of the monomer, we believe the strategy described in current investigation should be useful for the development of solvent-specific PDA sensor systems

A Solvatochromic Model Calibrates Nitriles’ Vibrational Frequencies to Electrostatic Fields

Science.gov (United States)

Bagchi, Sayan; Fried, Stephen D.; Boxer, Steven G.

2012-01-01

Electrostatic interactions provide a primary connection between a protein’s three-dimensional structure and its function. Infrared (IR) probes are useful because vibrational frequencies of certain chemical groups, such as nitriles, are linearly sensitive to local electrostatic field, and can serve as a molecular electric field meter. IR spectroscopy has been used to study electrostatic changes or fluctuations in proteins, but measured peak frequencies have not been previously mapped to total electric fields, because of the absence of a field-frequency calibration and the complication of local chemical effects such as H-bonds. We report a solvatochromic model that provides a means to assess the H-bonding status of aromatic nitrile vibrational probes, and calibrates their vibrational frequencies to electrostatic field. The analysis involves correlations between the nitrile’s IR frequency and its 13C chemical shift, whose observation is facilitated by a robust method for introducing isotopes into aromatic nitriles. The method is tested on the model protein Ribonuclease S (RNase S) containing a labeled p-CN-Phe near the active site. Comparison of the measurements in RNase S against solvatochromic data gives an estimate of the average total electrostatic field at this location. The value determined agrees quantitatively with MD simulations, suggesting broader potential for the use of IR probes in the study of protein electrostatics. PMID:22694663

A Tetrahydrofuran-selective Optical Solvent Sensor Based on Solvatochromic Polydiacetylene

Energy Technology Data Exchange (ETDEWEB)

Park, Dong-Hoon; Kim, Bubsung; Kim, Jong-Man [Hanyang University, Seoul (Korea, Republic of)

2016-06-15

Polydiacetylene (PDAs) have received great attention as colorimetric sensors since these conjugated polymers undergo a blue-to-red color change upon various chemical/biochemical and physical stimuli. PDAs have been reported to display thermochromism (heat), solvatochromism (solvent), mechanochromism (mechanical strain) as well as magnetochromism (magnetic force) electrochromism (electric current), and affinochromism (ligand-receptor interaction). The solvent induced color change of PDA is generally non-specific and irreversible. For instance, the PDA derived from 10,12-pentacosadiynoic acid (PCDA) undergoes a blue-to-red (or purple) color change upon exposure to many common organic solvents including tetrahydrofuran (THF), chloroform, dichloromethane, acetone, methanol (MeOH), ethyl acetate (EA), and diethyl ether. The results obtained from Raman spectral analysis suggests that exposure to THF causes the distortion of the backbone of the polymer main chain and some conformational changes in the aliphatic side chain. Solvatochromism of a PDA is closely related to the solubility of a diacetylene monomer. PDA undergoes a color change when the dissolution of unpolymerized monomers causes some void in the PDA supramolecules. Since PCDA-mBzA has a good solubility only in THF, colorimetric transition of PDA occurs only in response to THF. Since solubility of a diacetylene monomer can be manipulated by structural change of the monomer, we believe the strategy described in current investigation should be useful for the development of solvent-specific PDA sensor systems.

Empirical parameters for solvent acidity, basicity, dipolarity, and polarizability of the ionic liquids [BMIM][BF4] and [BMIM][PF6].

Science.gov (United States)

del Valle, J C; García Blanco, F; Catalán, J

2015-04-02

The empirical solvent scales for polarizability (SP), dipolarity (SdP), acidity (SA), and basicity (SB) have been successfully used to interpret the solvatochromism of compounds dissolved in organic solvents and their solvent mixtures. Providing that the published solvatochromic parameters for the ionic liquids 1-(1-butyl)-3-methylimidazolium tetrafluoroborate, [BMIM][BF4] and 1-(1-butyl)-3-methylimidazolium hexafluorophosphate, [BMIM][PF6], are excessively widespread, their SP, SdP, SA, and SB values are measured herein at temperatures from 293 to 353 K. Four key points are emphasized herein: (i) the origin of the solvatochromic solvent scales--the gas phase, that is the absence of any medium perturbation--; (ii) the separation of the polarizability and dipolarity effects; (iii) the simplification of the probing process in order to obtain the solvatochromic parameters; and (iv) the SP, SdP, SA, and SB solvent scales can probe the polarizability, dipolarity, acidity, and basicity of ionic liquids as well as of organic solvents and water-organic solvent mixtures. From the multiparameter approach using the four pure solvent scales one can draw the conclusion that (a) the solvent influence of [BMIM][BF4] parallels that of formamide at 293 K, both of them miscible with water; (b) [BMIM][PF6] shows a set of solvatochromic parameters similar to that of chloroacetonitrile, both of them water insoluble; and (c) that the corresponding solvent acidity and basicity of the ionic liquids can be explained to a great extent from the cation species by comparing the empirical parameters of [BMIM](+) with those of the solvent 1-methylimidazole. The insolubility of [BMIM][PF6] in water as compared to [BMIM][BF4] is tentatively connected to some extent to the larger molar volume of the anion [PF6](-), and to the difference in basicity of [PF6](-) and [BF4](-).

Synthesis and photophysical properties of a series of cyclopenta[b]naphthalene solvatochromic fluorophores.

Science.gov (United States)

Benedetti, Erica; Kocsis, Laura S; Brummond, Kay M

2012-08-01

The synthesis and photophysical properties of a series of naphthalene-containing solvatochromic fluorophores are described within. These novel fluorophores are prepared using a microwave-assisted dehydrogenative Diels-Alder reaction of styrene, followed by a palladium-catalyzed cross coupling reaction to install an electron donating amine group. The new fluorophores are structurally related to Prodan. Photophysical properties of the new fluorophores were studied and intriguing solvatochromic behavior was observed. For most of these fluorophores, high quantum yields (60-99%) were observed in methylene chloride in addition to large Stokes shifts (95-226 nm) in this same solvent. As the solvent polarity increased, so did the observed Stokes shift with one derivative displaying a Stokes shift of ~300 nm in ethanol. All fluorophore emission maxima, and nearly all absorption maxima were significantly red-shifted when compared to Prodan. Shifting the absorption and emission maxima of a fluorophore into the visible region increases its utility in biological applications. Moreover, the cyclopentane portion of the fluorophore structure provides an attachment point for biomolecules that will minimize disruptions of the photophysical properties.

The Ceremony of Tasua and Ashura as a Tourism Attractions in Iran (Case Study: Taft City

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Amir Reza Khavarian

2014-12-01

Full Text Available Today, tourism as a global and social phenomenon has special implication of its own. The mechanism behind the phenomenon intertwines and takes different forms in different times and places and completely different effects on the human beings (de freitas, 2003:47. There are many types of tourism. One of the most important tourism forms is religious tourism. Religious tourism is a combination of travel and religion. Most writers are taking into account religious tourism as a part of cultural tourism. Of course, both are quite different, but these two are tied together, and religion is a part of culture. Religious Cultural Festival is an event that causes tourism to travel to a foreign country for looking for religion and heritage experience. Hence the Muharram ceremonies (Ashura and Tasua as a religious event can be raised as an event that can familiarize domestic and foreign tourists with part of Iranian religious and culture society. Iran is an old and historical country and its present religious is Islam, most of the people are Shia? The ceremonies of Tasua and Ashura in most part of this country with different showings are done. One of those is in Taft city located in Yazd province. This research is with aims to optimize utilization of the Ashura and Tasua religious festival in order to develop Taft city and to remove barriers on the way of Taft religious tourism using the SWOT model. This evaluation model (that evaluated strengths, weaknesses, opportunities and threats is considered one of the best strategies for tourism planning. Methods of data collection and analysis of required data is more documentaries, analytical and Survey research. The results indicate that proximity to population centers and urban centers, such as the city of Yazd and distinctive funeral's style from other parts of Province, are the best strengths for this city's religious tourism. Short duration of tourists stay in the cities and Lack of tourists' economic outputs

Bis(pyridylvinyl)diaminobenzenes: synthesis, acidochromism and solvatochromism of the fluorescence

International Nuclear Information System (INIS)

Detert, H.; Sugiono, E.

2005-01-01

C 2 -symmetrical 1,4-distyrylbenzenes with 4-dimethylaminobenzene or pyridine as terminal rings, and propyloxy or dipropylamino groups in the central 2,5-positions were prepared. Solvatochromism of the absorption is small, but more pronounced in the fluorescence spectra. Some compounds exhibit huge Stokes shifts. Acid strongly alters the fluorescence: red shifts and decreasing quantum yields is the general result, but depending on the position and character of the basic sites, a strong recovery of fluorescence efficiency combined with large hypsochromic shifts may result in highly acidic solutions

Emission solvatochromic behavior of a pentacoordinated Zn(II) complex: A viable tool for studying the metallodrug–protein interaction

Energy Technology Data Exchange (ETDEWEB)

Ricciardi, Loredana, E-mail: loredana.ricciardi@unical.it [Department of Chemistry and Chemical Technology, University of Calabria, I-87036 Rende (CS) (Italy); Centre of Excellence “Functional Nanostructured Materials” CEMIF.CAL, LASCAMM and CR INSTM, INSTM Calabria Unit, and CNR-IPCF-UOS Cosenza - Licryl Laboratory, I-87036 Rende (CS) (Italy); Pucci, Daniela; Pirillo, Sante; La Deda, Massimo [Department of Chemistry and Chemical Technology, University of Calabria, I-87036 Rende (CS) (Italy); Centre of Excellence “Functional Nanostructured Materials” CEMIF.CAL, LASCAMM and CR INSTM, INSTM Calabria Unit, and CNR-IPCF-UOS Cosenza - Licryl Laboratory, I-87036 Rende (CS) (Italy)

2014-07-01

A metal complex with antitumoral activity, Zn(Curcumin)(bypiridine)Cl, was characterized from a photophysical point of view, showing a green emission and a positive solvatochromism. These characteristics can be conveniently used to study its interaction with Human Serum Albumin (HSA), a protein carrier of many non-aqueous biologically-active compounds in the blood stream. The intrinsic fluorescence of HSA was quenched by Fluorescence Resonance Energy Transfer toward the Zn(II) complex, and the Stern–Volmer equation was applied to determine the bimolecular quenching rate constant of the interaction. - Highlights: • Albumin binding information is a key characteristic of drug pharmacology. • Fluorescence spectroscopy offers a simple method for revealing drug–protein interaction. • The fluorescence of the Zn(II) complex and its solvatochromisms has allowed studying the binding from a dual perspective.

Spectral Properties of Dyes with Interfragmental Charge Transfer: Solvatochromism and Solvatofluorochromism of 2-(3-Coumaroyl-benzopyrylium Perchlorates

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Edward V. Sanin

2014-01-01

Full Text Available The paper deals with the spectral properties of dyes with interfragmental charge transfer, in particular, derivatives of 2-(3-coumaroylbenzopyrylium (CBP perchlorates. The positions of long-wavelength absorption and emission bands, quantum yields, and lifetimes of fluorescence were measured, mostly in aprotic solvents. Regression analysis of the relationship between the spectral characteristics of CBP and the main solvent parameters (polarity, polarisability, nucleophilicity, and electrophilicity was carried out. It was found that the characteristics of CBP depend mainly on two solvent parameters—polarity and/or nucleophilicity. An increase in these parameters results in a hypsochromic shift of absorption bands and a decrease of lifetimes and fluorescence intensity. The positions of the emission bands can demonstrate either hypsochromism or bathochromism, depending on the nature of the substituents. The solvatofluorochromic effects are not as strong as the solvatochromic ones. We believe that the spectral behaviour of CBP can be explained by cation depolarisation and by a decrease in the stability of nucleophilic complexes with solvent molecules that is associated with interfragmental charge transfer following excitation, relaxation, and radiative deactivation of the excited state.

Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base

Science.gov (United States)

Brkić, Dominik R.; Božić, Aleksandra R.; Marinković, Aleksandar D.; Milčić, Miloš K.; Prlainović, Nevena Ž.; Assaleh, Fathi H.; Cvijetić, Ilija N.; Nikolić, Jasmina B.; Drmanić, Saša Ž.

2018-05-01

The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (νmax) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LFER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pKa, NMR chemical shifts and νmax values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (DCT) and amount of transferred charge (QCT). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity.

Mechanical Design of a Performance Test Rig for the Turbine Air-Flow Task (TAFT)

Science.gov (United States)

Forbes, John C.; Xenofos, George D.; Farrow, John L.; Tyler, Tom; Williams, Robert; Sargent, Scott; Moharos, Jozsef

2004-01-01

To support development of the Boeing-Rocketdyne RS84 rocket engine, a full-flow, reaction turbine geometry was integrated into the NASA-MSFC turbine air-flow test facility. A mechanical design was generated which minimized the amount of new hardware while incorporating all test and instrumentation requirements. This paper provides details of the mechanical design for this Turbine Air-Flow Task (TAFT) test rig. The mechanical design process utilized for this task included the following basic stages: Conceptual Design. Preliminary Design. Detailed Design. Baseline of Design (including Configuration Control and Drawing Revision). Fabrication. Assembly. During the design process, many lessons were learned that should benefit future test rig design projects. Of primary importance are well-defined requirements early in the design process, a thorough detailed design package, and effective communication with both the customer and the fabrication contractors.

Unimolecular Solvolyses in Ionic Liquid: Alcohol Dual Solvent Systems

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Elizabeth D. Kochly

2016-01-01

Full Text Available A study was undertaken of the solvolysis of pivaloyl triflate in a variety of ionic liquid:alcohol solvent mixtures. The solvolysis is a kΔ process (i.e., a process in which ionization occurs with rearrangement, and the resulting rearranged carbocation intermediate reacts with the alcohol cosolvent via two competing pathways: nucleophilic attack or elimination of a proton. Five different ionic liquids and three different alcohol cosolvents were investigated to give a total of fifteen dual solvent systems. 1H-NMR analysis was used to determine relative amounts of elimination and substitution products. It was found, not surprisingly, that increasing the bulkiness of alcohol cosolvent led to increased elimination product. The change in the amount of elimination product with increasing ionic liquid concentration, however, varied greatly between ionic liquids. These differences correlate strongly, though not completely, to the Kamlet–Taft solvatochromic parameters of the hydrogen bond donating and accepting ability of the solvent systems. An additional factor playing into these differences is the bulkiness of the ionic liquid anion.

Synthesis and spectroscopic exploration of carboxylic acid derivatives of 6-hydroxy-1-keto-1,2,3,4-tetrahydrocarbazole: Hydrogen bond sensitive fluorescent probes

International Nuclear Information System (INIS)

Krishna Mitra, Amrit; Ghosh, Sujay; Chakraborty, Suchandra; Basu, Samita; Saha, Chandan

2013-01-01

Two new fluorescent carboxylic acid derivatives having 6-hydroxy-1-keto-1,2,3,4-tetrahydrocarbazole moiety, 2-(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yloxy)acetic acid [OTHCA] and 2-(7-methoxy-1-oxo-2,3,4,9-tetrahydro-1H-carbazol-6-yloxy)acetic acid [MOTHCA] were synthesized by Japp–Klingemann reaction followed by Fischer indole cyclization. Extensive spectroscopic investigation has been carried out on the compounds in sixteen different aprotic and protic solvents as well as in binary solvent mixtures using absorption, steady-state and time-resolved fluorescence techniques. Fluorescence maxima of the compounds have shifted consistently to longer wavelength in mediums of higher polarity and hydrogen bonding ability. Dipole moment change of the molecules upon photoexcitation has been calculated using Lippert–Mataga theory of solvatochromic shifts. Kamlet–Taft solvatochromic comparison method has been used to determine the dependence of spectral shifts upon empirical solvent parameters. Formation of intermolecular hydrogen bonding of both OTHCA and MOTHCA with protic solvents has been proved by comparing their spectral responses in toluene–acetonitrile and toluene–methanol solvent mixtures. -- Highlights: • The compounds have similar electronic distribution in ground and excited state. • Emission maxima shift towards red with increase in the E T (30) value of the solvents. • Dipole moment change in the excited state is different in protic and aprotic solvents. • OTHCA and MOTHCA form intermolecular hydrogen bond with protic solvents. • Fluorescence lifetime decays are bi-exponential in long chain alcoholic solvents

Fast, Highly-Sensitive, and Wide-Dynamic-Range Interdigitated Capacitor Glucose Biosensor Using Solvatochromic Dye-Containing Sensing Membrane.

Science.gov (United States)

Khan, Md Rajibur Rahaman; Khalilian, Alireza; Kang, Shin-Won

2016-02-20

In this paper, we proposed an interdigitated capacitor (IDC)-based glucose biosensor to measure different concentrations of glucose from 1 μM to 1 M. We studied four different types of solvatochromic dyes: Auramine O, Nile red, Rhodamine B, and Reichardt's dye (R-dye). These dyes were individually incorporated into a polymer [polyvinyl chloride (PVC)] and N,N-Dimethylacetamide (DMAC) solution to make the respective dielectric/sensing materials. To the best of our knowledge, we report for the first time an IDC glucose biosensing system utilizing a solvatochromic-dye-containing sensing membrane. These four dielectric or sensing materials were individually placed into the interdigitated electrode (IDE) by spin coating to make four IDC glucose biosensing elements. The proposed IDC glucose biosensor has a high sensing ability over a wide dynamic range and its sensitivity was about 23.32 mV/decade. It also has fast response and recovery times of approximately 7 s and 5 s, respectively, excellent reproducibility with a standard deviation of approximately 0.023, highly stable sensing performance, and real-time monitoring capabilities. The proposed IDC glucose biosensor was compared with an IDC, potentiometric, FET, and fiber-optic glucose sensor with respect to response time, dynamic range width, sensitivity, and linearity. We observed that the designed IDC glucose biosensor offered excellent performance.

Description of the equilibrium conditions of chemical reactions in various solvents

International Nuclear Information System (INIS)

Roehl, H.

1983-01-01

Empirical knowledge is taken as the basis for establishing a method to predict the equilibrium conditions of reactions of macrocyclic polyethers and monovalent metal cations in various solvents. The reactions in the solvents under review can be well described by the donor number DN according to Gutmann, and by the parameters alpha and pi-asterisk for the H bonding donor and polarity/polarisability, respectively, using a three-parameter equation according to Kamlet/Taft. This applies to both protic and aprotic solvents. The calculations rely on data found in the literature and on own experimental results obtained by microcalorimetric examinations. The evaluation methods evolved for this purpose also allow, by means of additional dilution experiments, to convert the ''integral'', microcalorimetrically obtained complex stability constants, (i.e. those non-discriminating between different types of state such as ions or ion pairs) to the corresponding ''differentiating'' constants (referring to purely ionic quantities), and this applied to the various solvents used. The method does not use foreign ions and can thus also be applied to those cases for which the normal standardisation of reaction conditions published in the literature cannot be maintained (e.g. for reasons of solubility). In some cases it was possible to obtain additional information on the dissociation behaviour of the salts used, which revealed differently strong inclination to form higher aggregations in solution, as shown e.g. by the strong concentration dependence of the salt ion pair dissociation constants obtained. (orig./EF) [de

Fast, Highly-Sensitive, and Wide-Dynamic-Range Interdigitated Capacitor Glucose Biosensor Using Solvatochromic Dye-Containing Sensing Membrane

Directory of Open Access Journals (Sweden)

Md. Rajibur Rahaman Khan

2016-02-01

Full Text Available In this paper, we proposed an interdigitated capacitor (IDC-based glucose biosensor to measure different concentrations of glucose from 1 μM to 1 M. We studied four different types of solvatochromic dyes: Auramine O, Nile red, Rhodamine B, and Reichardt’s dye (R-dye. These dyes were individually incorporated into a polymer [polyvinyl chloride (PVC] and N,N-Dimethylacetamide (DMAC solution to make the respective dielectric/sensing materials. To the best of our knowledge, we report for the first time an IDC glucose biosensing system utilizing a solvatochromic-dye-containing sensing membrane. These four dielectric or sensing materials were individually placed into the interdigitated electrode (IDE by spin coating to make four IDC glucose biosensing elements. The proposed IDC glucose biosensor has a high sensing ability over a wide dynamic range and its sensitivity was about 23.32 mV/decade. It also has fast response and recovery times of approximately 7 s and 5 s, respectively, excellent reproducibility with a standard deviation of approximately 0.023, highly stable sensing performance, and real-time monitoring capabilities. The proposed IDC glucose biosensor was compared with an IDC, potentiometric, FET, and fiber-optic glucose sensor with respect to response time, dynamic range width, sensitivity, and linearity. We observed that the designed IDC glucose biosensor offered excellent performance.

A novel water soluble solvatochromic probe as a micropolarity reporter for homogeneous and microheterogeneous media

Energy Technology Data Exchange (ETDEWEB)

Sarkar, Amrita; Kedia, Niraja [Department of Chemical Sciences, Indian Institute of Science Education and Research, Kolkata, Mohanpur Campus, BCKV Main P.O., Mohanpur 741252, Nadia, WB (India); Bagchi, Sanjib, E-mail: bsanjibb@yahoo.com [Department of Chemistry and Biochemistry, Presidency University, 86/1 College Street, Kolkata 700073 (India)

2014-07-01

A new water soluble donor–acceptor dye, sodium 4-(methyl((1E,3E)-3-(1-oxo-1H-inden-2(3H)-ylidene)prop-1-enyl)amino) benzoate (DN3) has been synthesized. Optical response of the solvatochromic dye (DN3) has been studied in various homogeneous (neat and mixed binary solvents) and heterogeneous (SDS and CTAB homomicelle and β-cyclodextrin nanocavity) media. To get information regarding the change in the solvation interaction of the dye with the alteration in its microenvironment in different media, the photophysical properties of the dye have been monitored in various media using steady state and time resolved spectral analysis. Results obtained for mixed binary solvents containing water indicate that the solute is preferentially solvated by one of the component solvents and solvent–solvent interactions are also important in determining the preference. Effect of variation of pH in aqueous medium on the spectroscopic parameters of the dye has been studied and its pKa has been estimated. Studies in homomicelles (SDS and CTAB) reveal that the dye distributes itself between the aqueous and the micellar phase and the values of distribution coefficient have been estimated from the fluorescence parameters. The dye is encapsulated in β-cyclodextrin nanocavity and a 1:2 dye-β-cyclodextrin host–guest interaction is indicated. Semi-empirical quantum chemical calculations have been carried out to support the experimental results. - Highlights: • A water soluble fluorescent dye has been synthesized and studied in various media. • The dye is sensitive towards changes in micropolarity and pH of the medium. • Study in mixed binary solvent system indicates preferential solvation of the dye. • Stronger interaction of the dye is indicated with CTAB micelles compared to SDS. • Study in aqueous β-CD medium reveals favorable 1:2 binding of the dye with β-CD.

Diethylenetriamine/diamines/copper (II complexes [Cu(dien(NN]Br2: Synthesis, solvatochromism, thermal, electrochemistry, single crystal, Hirshfeld surface analysis and antibacterial activity

Directory of Open Access Journals (Sweden)

Fatima Abu Saleemh

2017-09-01

Full Text Available Two dicationic water soluble mixed triamine/diamine copper (II complexes, of general formula [Cu(dienNN]Br2 (1–2 [dien = diethelenetriamine and NN is en = ethylenediamine or Me4en = N,N′,N,N′-tetramethylethylenediamine] were prepared under ultrasonic mode with a relatively high yield. These complexes were characterized by elemental microanalysis, UV visible IR spectroscopy, and thermal and electrochemical techniques. In addition, complex 2 structure was solved by X-ray single crystal and Hirshfeld surface analysis. The complex exhibits a distorted square pyramidal coordination environment around Cu(II centre. The solvatochromism of the desired complexes was investigated in water and other suitable organic solvents. The results show that the Guttmann’s DN parameter values of the solvents have mainly contributed to the shift of the d–d absorption band towards the linear increase in the wavelength of the absorption maxima of the complexes. The complex 1 showed higher antibacterial activity against the studied microorganisms compared to complex 2. Both complexes revealed promising antibacterial activities.

A fluorogenic probe for SNAP-tagged plasma membrane proteins based on the solvatochromic molecule Nile Red.

Science.gov (United States)

Prifti, Efthymia; Reymond, Luc; Umebayashi, Miwa; Hovius, Ruud; Riezman, Howard; Johnsson, Kai

2014-03-21

A fluorogenic probe for plasma membrane proteins based on the dye Nile Red and SNAP-tag is introduced. It takes advantage of Nile Red, a solvatochromic molecule highly fluorescent in an apolar environment, such as cellular membranes, but almost dark in a polar aqueous environment. The probe possesses a tuned affinity for membranes allowing its Nile Red moiety to insert into the lipid bilayer of the plasma membrane, becoming fluorescent, only after its conjugation to a SNAP-tagged plasma membrane protein. The fluorogenic character of the probe was demonstrated for different SNAP-tag fusion proteins, including the human insulin receptor. This work introduces a new approach for generating a powerful turn-on probe for "no-wash" labeling of plasma membrane proteins with numerous applications in bioimaging.

Synthesis, crystal structure and photophysical properties of (E)-4-(4-(2-hydroxybenzylideneamino)benzyl)oxazolidin-2-one

International Nuclear Information System (INIS)

Kumari, Rekha; Varghese, Anitha; George, Louis

2016-01-01

A new Schiff base, (4-(benzylideneamino)benzyl)oxazolidin-2-one has been synthesised from 4-(4-aminobenzyl)oxazolidin-2-one and salicylaldehyde by a simple condensation reaction. Single-crystal X-ray analysis of (E)-4-(4-(2-hydroxybenzylideneamino) benzyl)oxazolidin-2-one (HBOA) revealed that there is a 1-D, slipped, face-to-face motif with off-set, head-to-tail stacked columns. Detailed studies on photophysical properties of the synthesised compound in solutions indicate their potential applications in the field of organic light emitting devices and nonlinear optical materials. Absorption and fluorescence study of HBOA has been conducted in a series of solvents with increasing polarity at room temperature. Ground and excited state dipole moments have been determined experimentally by using Lippert–Mataga polarity function, Bakhshiev solvent polarity parameter, Kawskii–Chamma–Viallet solvent polarity parameter and RichardtГ—Віs microscopic solvent polarity parameter. Due to the considerable π-electron density redistribution, the excited state dipole moment was found to be larger than that of the ground state. The ground state dipole moment value was determined by quantum chemical method which was used to estimate excited state dipole moment through solvatochromic correlations. Kamlet–Taft and Catalan methods were used to get the information of both non-specific solute–solvent interactions and hydrogen bonding interactions. TD-DFT (B3LYP/6-311G(d,p)) has been used for the determination of HOMO–LUMO energies. Mulliken charges and Molecular electrostatic potential were also evaluated from DFT calculations.

The electronic and solvatochromic properties of [Co(L)(bipyridine)2]+ (L = o-catecholato, o-benzenedithiolato) species: a combined experimental and computational study.

Science.gov (United States)

Cioncoloni, Giacomo; Senn, Hans M; Sproules, Stephen; Wilson, Claire; Symes, Mark D

2016-10-04

Complexes of Co(iii) containing mixed chelating diimine and o-quinone ligand sets are of fundamental interest on account of their fascinating magnetic and electronic properties. Whilst complexes of this type containing one diimine and two o-quinone ligands have been studied extensively, those with the reverse stoichiometry (two diimines and one o-quinone) are much rarer. Herein, we describe a ready route to the synthesis of the complex [Co III (o-catecholate) (2,2'-bipyridine) 2 ] + (1), and also report the synthesis of [Co III (o-catecholate)(5,5'-dimethyl-2,2'-bipyridine) 2 ] + (2) and [Co III (o-benezenedithiolate)(5,5'-dimethyl-2,2'-bipyridine) 2 ] + (3) for the first time. Spectroscopic studies show that complex 2 displays intriguing solvatochromic behaviour as a function of solvent hydrogen bond donation ability, a property of this type of complex which has hitherto not been reported. Time-dependent density function theory (TD-DFT) shows that this effect arises as a result of hydrogen bonding between the solvent and the oxygen atoms of the catecholate ligand. In contrast, the sulfur atoms in the benzenedithiolate analogue 3 are much weaker acceptors of hydrogen bonds from the solvent, meaning that complex 3 is only very weakly solvatochromic. Finally, we show that complex 2 has some potential as a molecular probe that can report on the composition of mixed solvent systems as a function of its absorbance spectrum.

Two steps simultaneous analysis of reactivity of L-norvaline in the T-for-H exchange reaction. Application of Taft equation to influence of Polar effect and steric effect

International Nuclear Information System (INIS)

Kataoka, Noriaki; Imaizumi, Hiroshi; Saito, Hiroshi; Sato, Takayuki; Kano, Naoki

2010-01-01

In order to quantitatively evaluate the influence of tritium ( 3 H or T) on ecosystem and the reactivity of materials having H atoms, the hydrogen isotope exchange reaction (T-for-H exchange reaction) between L-norvaline and HTO vapor was observed at 50-70degC in the gas-solid system. Applying the A''-McKay plot method to data obtained in the reaction, the rate constants of the functional groups in the material were obtained. Comparing these rate constants, following seven matters have been found in the T-for-H exchange reaction. (1) The reactivity of the functional groups in L-norvaline increases with increasing temperature. (2) As to L-norvaline, 1) the temperature dependence of each functional group increases with the following order: COOH group > NH 2 one. 2) the reactivity of COOH group is 2.2 times greater than that of NH 2 one. (3) As to the influence of the substituent, the reactivity of COOH group is larger than that of the NH 2 one. (4) It seems that the reactivity of the amino acid follows Taft equation. (5) Applying Taft equation, the ratio of influence of polar effect to steric one is 10:0 in NH 2 group, and is 3:7 in COOH one. (6) Using the A - McKay plot method, the reactivity of each functional group in an amino acid is able to be nondestructively, quantitatively and simultaneously analyzed without using masking reagent. (7) The method used in this work may be useful to quickly determine the reactivity of the functional groups in the materials. (author)

Chromo- and fluorophoric water-soluble polymers and silica particles by nucleophilic substitution reaction of poly(vinyl amine

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Katja Hofmann

2010-07-01

Full Text Available Novel chromophoric and fluorescent carbonitrile-functionalized poly(vinyl amine (PVAm and PVAm/silica particles were synthesized by means of nucleophilic aromatic substitution of 8-oxo-8H-acenaphtho[1,2-b]pyrrol-9-carbonitrile (1 with PVAm in water. The water solubility of 1 has been mediated by 2,6-O-β-dimethylcyclodextrin or by pre-adsorption onto silica particles. Furthermore, 1 was converted with isopropylamine into the model compound 1-M. All new compounds were characterized by NMR, FTIR, UV–vis and fluorescence spectroscopy. The solvent-dependent UV–vis absorption and fluorescence emission band positions of the model compound and the carbonitrile-functionalized PVAm were studied and interpreted using the empirical Kamlet–Taft solvent parameters π* (dipolarity/polarizability, α (hydrogen-bond donating capacity and β (hydrogen-accepting ability in terms of the linear solvation energy relationship (LSER. The solvent-independent regression coefficients a, b and s were determined using multiple linear correlation analysis. It is shown, that the chains of the polymer have a significant influence on the solvatochromic behavior of 1-P. The structure of the carbonitrile 1-Si bound to polymer-modified silica particles was studied by means of X-ray photoelectron spectroscopy (XPS and Brunauer–Emmett–Teller (BET measurements. Fluorescent silica particles were obtained as shown by fluorescence spectroscopy with a diffuse reflectance technique.

A High Sensitivity IDC-Electronic Tongue Using Dielectric/Sensing Membranes with Solvatochromic Dyes

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Md. Rajibur Rahaman Khan

2016-05-01

Full Text Available In this paper, an electronic tongue/taste sensor array containing different interdigitated capacitor (IDC sensing elements to detect different types of tastes, such as sweetness (glucose, saltiness (NaCl, sourness (HCl, bitterness (quinine-HCl, and umami (monosodium glutamate is proposed. We present for the first time an IDC electronic tongue using sensing membranes containing solvatochromic dyes. The proposed highly sensitive (30.64 mV/decade sensitivity IDC electronic tongue has fast response and recovery times of about 6 s and 5 s, respectively, with extremely stable responses, and is capable of linear sensing performance (R2 ≈ 0.985 correlation coefficient over the wide dynamic range of 1 µM to 1 M. The designed IDC electronic tongue offers excellent reproducibility, with a relative standard deviation (RSD of about 0.029. The proposed device was found to have better sensing performance than potentiometric-, cascoded compatible lateral bipolar transistor (C-CLBT-, Electronic Tongue (SA402-, and fiber-optic-based taste sensing systems in what concerns dynamic range width, response time, sensitivity, and linearity. Finally, we applied principal component analysis (PCA to distinguish between various kinds of taste in mixed taste compounds.

Determination of ground and excited state dipole moments of dipolar laser dyes by solvatochromic shift method.

Science.gov (United States)

Patil, S K; Wari, M N; Panicker, C Yohannan; Inamdar, S R

2014-04-05

The absorption and fluorescence spectra of three medium sized dipolar laser dyes: coumarin 478 (C478), coumarin 519 (C519) and coumarin 523 (C523) have been recorded and studied comprehensively in various solvents at room temperature. The absorption and fluorescence spectra of C478, C519 and C523 show a bathochromic and hypsochromic shifts with increasing solvent polarity indicate that the transitions involved are π→π(∗) and n→π(∗). Onsager radii determined from ab initio calculations were used in the determination of dipole moments. The ground and excited state dipole moments were evaluated by using solvatochromic correlations. It is observed that the dipole moment values of excited states (μe) are higher than corresponding ground state values (μg) for the solvents studied. The ground and excited state dipole moments of these probes computed from ab initio calculations and those determined experimentally are compared and the results are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

Synthesis, structure and solvatochromic properties of some novel 5-arylazo-6-hydroxy-4-phenyl-3-cyano-2-pyridone dyes

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Alimmari Adel

2012-07-01

Full Text Available Abstract Background A series of some novel arylazo pyridone dyes was synthesized from the corresponding diazonium salt and 6-hydroxy-4-phenyl-3-cyano-2-pyridone using a classical reaction for the synthesis of the azo compounds. Results The structure of the dyes was confirmed by UV-vis, FT-IR, 1H NMR and 13C NMR spectroscopic techniques and elemental analysis. The solvatochromic behavior of the dyes was evaluated with respect to their visible absorption properties in various solvents. Conclusions The azo-hydrazone tautomeric equilibration was found to depend on the substituents as well as on the solvent. The geometry data of the investigated dyes were obtained using DFT quantum-chemical calculations. The obtained calculational results are in very good agreement with the experimental data.

On the performance of quantum chemical methods to predict solvatochromic effects. The case of acrolein in aqueous solution

DEFF Research Database (Denmark)

Aidas, Kestutis; Møgelhøj, Andreas; Nilsson, Elna Johanna Kristina

2008-01-01

The performance of the Hartree–Fock method and the three density functionals B3LYP, PBE0, and CAM-B3LYP is compared to results based on the coupled cluster singles and doubles model in predictions of the solvatochromic effects on the vertical n¿* and ¿* electronic excitation energies of acrolein...... of acrolein in vapor phase and aqueous solution. The gas-to-aqueous solution shift of the n¿* excitation energy is well reproduced by using all density functional methods considered. However, the B3LYP and PBE0 functionals completely fail to describe the ¿* electronic transition in solution, whereas...... the recent CAM-B3LYP functional performs well also in this case. The ¿* excitation energy of acrolein in water solution is found to be very dependent on intermolecular induction and nonelectrostatic interactions. The computed excitation energies of acrolein in vacuum and solution compare well to experimental...

Excited state electric dipole moment of 5-hydroxy indole and 5-hydroxy indole 3-acetic acid through solvatochromic shifts

International Nuclear Information System (INIS)

Rani, G. Neeraja; Ayachit, Narasimha H.

2010-01-01

The determination of excited state electric dipole moment through solvatochromic shifts is one of the easiest approaches to understand the molecular structure in the excited state. These studies have gained importance due to their application in photo science, especially if they are of biological importance. In view of this the excited state electric dipole moments of two substituted indoles which are of biological importance are determined and reported here. The fluorescence shifts have been used and the results found seem to be more consistent in comparison with the one calculated through absorption shifts. The results presented are also discussed. A qualitative estimate of the orientation of the dipole moments in ground and excited state are also presented and discussed. The method proposed by Ayachit and Neeraja Rani is used in view of the several advantages it has.

Dendritic biomimicry: microenvironmental hydrogen-bonding effects on tryptophan fluorescence.

Science.gov (United States)

Koenig, S; Müller, L; Smith, D K

2001-03-02

Two series of dendritically modified tryptophan derivatives have been synthesised and their emission spectra measured in a range of different solvents. This paper presents the syntheses of these novel dendritic structures and discusses their emission spectra in terms of both solvent and dendritic effects. In the first series of dendrimers, the NH group of the indole ring is available for hydrogen bonding, whilst in the second series, the indole NH group has been converted to NMe. Direct comparison of the emission wavelengths of analogous NH and NMe derivatives indicates the importance of the Kamlet-Taft solvent beta3 parameter, which reflects the ability of the solvent to accept a hydrogen bond from the NH group, an effect not possible for the NMe series of dendrimers. For the NH dendrimers, the attachment of a dendritic shell to the tryptophan subunit leads to a red shift in emission wavelength. This dendritic effect only operates in non-hydrogen-bonding solvents. For the NMe dendrimers, however, the attachment of a dendritic shell has no effect on the emission spectra of the indole ring. This proves the importance of hydrogen bonding between the branched shell and the indole NH group in causing the dendritic effect. This is the first time a dendritic effect has been unambiguously assigned to individual hydrogen-bonding interactions and indicates that such intramolecular interactions are important in dendrimers, just as they are in proteins. Furthermore, this paper sheds light on the use of tryptophan residues as a probe of the microenvironment within proteins--in particular, it stresses the importance of hydrogen bonds formed by the indole NH group.

Corrigendum to ;Dipole moment and solvatochromism of benzoic acid liquid crystals: Tuning the dipole moment and molecular orbital energies by substituted Au under external electric field; [J. Mol. Struct. 1137 (2017) 440-452

Science.gov (United States)

Sıdır, Yadigar Gülseven; Sıdır, İsa; Demiray, Ferhat

2017-08-01

The authors regret to inform that three references in the article titled ;Dipole moment and solvatochromism of benzoic acid liquid crystals: Tuning the dipole moment and molecular orbital energies by substituted Au under external electric field; are not given in the manuscript. This is purely an oversight mistake. The references are as shown in this correction. The authors would like to apologize for any inconvenience caused.

Aerial radiological survey of the Waterford Generating Station and surrounding area, Taft, Louisiana. Date of survey: March-April 1982

International Nuclear Information System (INIS)

Jaffe, R.J.; Feimster, E.L.

1984-02-01

An aerial survey of the Waterford Generating Station near Taft, Louisiana was conducted during the period March 24 through April 7, 1982. The area encompassed a 256-square-kilometer (100-square-mile) area centered on the reactor facilities. Inferred exposure rates were due primarily to naturally occurring gamma-emitting radionuclides and cosmic ray activity (estimated at 3.7 μR/h). The exposure rates varied from 7 to 60 μR/h. Throughout most of the residential/industrial areas, the inferred exposure rate range was 7 to 12 μR/h. Marsh and water-covered areas were less than 7 μR/h. Two areas were encountered which had activity elevated above the typical background: (1) an industrial waste pond located 2 kilometers southeast of the site, and (2) a small area located 5 kilometers southeast of the site on the south bank of the Mississippi River. (A river barge was docked at this location during the survey.) Maximum inferred exposure rates over these areas were 60 and 16 μR/h, respectively. Spectral analysis revealed gamma-emitting radionuclides of the uranium decay chain as the primary contributors to this elevated activity. Ground-based measurements made in several areas were consistent with the aerial data. This was the first aerial radiological survey conducted over this area. 3 references, 9 figures, 3 tables

U.S. backs "well-being" programs for women. An interview with Julia Taft, Assistant Secretary of State for Population, Refugees and Migration.

Science.gov (United States)

Scherr, E F

1998-09-01

This interview with Julia Taft, Assistant Secretary of State for Population, Refugees and Migration concerns a wide range of well-being programs for women in the US. The ICPD Program of Action considers family planning and reproductive health in the broader contexts of women's empowerment, girls¿ and boys' education, child health, and social elements (among them economic and environmental elements), that affect the lives of girls and women. US programs and policies encompass the promotion of the whole range of well-being of women and girls, of which family planning and reproductive health are key elements. Congress has passed a law ensuring complete access to reproductive health care services by making it a crime to use force or to interfere with reproductive health providers or their patients. There was also a recent decision to require federal employees' health insurance plans to cover contraceptives. The US supports several international organizations working on population issues such as UNFPA, UNICEF, UNAIDS, WHO, and UNDP. The UN will continually have to evaluate its progress so that in 15 years human rights, civil rights, and proper health care will have been extended to the entire world.

The genetic characteristics in cytology and plant physiology of two wheat (Triticum aestivum) near isogenic lines with different freezing tolerances.

Science.gov (United States)

Wang, Wenqiang; Hao, Qunqun; Wang, Wenlong; Li, Qinxue; Wang, Wei

2017-11-01

Freezing tolerance in taft plants relied more upon an ABA-independent- than an ABA-dependent antifreeze signaling pathway. Two wheat (Triticum aestivum) near isogenic lines (NIL) named tafs (freezing sensitivity) and taft (freezing tolerance) were isolated in the laboratory and their various cytological and physiological characteristics under freezing conditions were studied. Proplastid, cell membrane, and mitochondrial ultrastructure were less damaged by freezing treatment in taft than tafs plants. Chlorophyll, ATP, and thylakoid membrane protein contents were significantly higher, but malondialdehyde content was significantly lower in taft than tafs plants under freezing condition. Antioxidant capacity, as indicated by reactive oxygen species accumulation and antioxidant enzyme activity, and the relative gene expression were significantly greater in taft than tafs plants. Soluble sugars and abscisic acid (ABA) contents were significantly higher in taft plants than in tafs plants under both normal and freezing conditions. The upregulated expression levels of certain freezing tolerance-related genes were greater in taft than tafs plants under freezing treatment. The addition of sodium tungstate, an ABA synthesis inhibitor, led to only partial freezing tolerance inhibition in taft plants and the down-regulated expression of some ABA-dependent genes. Thus, both ABA-dependent and ABA-independent signaling pathways are involved in the freezing tolerance of taft plants. At the same time, freezing tolerance in taft plants relied more upon an ABA-independent- than an ABA-dependent antifreeze signaling pathway.

Microwave-assisted intramolecular dehydrogenative Diels-Alder reactions for the synthesis of functionalized naphthalenes/solvatochromic dyes.

Science.gov (United States)

Kocsis, Laura S; Benedetti, Erica; Brummond, Kay M

2013-04-01

Functionalized naphthalenes have applications in a variety of research fields ranging from the synthesis of natural or biologically active molecules to the preparation of new organic dyes. Although numerous strategies have been reported to access naphthalene scaffolds, many procedures still present limitations in terms of incorporating functionality, which in turn narrows the range of available substrates. The development of versatile methods for direct access to substituted naphthalenes is therefore highly desirable. The Diels-Alder (DA) cycloaddition reaction is a powerful and attractive method for the formation of saturated and unsaturated ring systems from readily available starting materials. A new microwave-assisted intramolecular dehydrogenative DA reaction of styrenyl derivatives described herein generates a variety of functionalized cyclopenta[b]naphthalenes that could not be prepared using existing synthetic methods. When compared to conventional heating, microwave irradiation accelerates reaction rates, enhances yields, and limits the formation of undesired byproducts. The utility of this protocol is further demonstrated by the conversion of a DA cycloadduct into a novel solvatochromic fluorescent dye via a Buchwald-Hartwig palladium-catalyzed cross-coupling reaction. Fluorescence spectroscopy, as an informative and sensitive analytical technique, plays a key role in research fields including environmental science, medicine, pharmacology, and cellular biology. Access to a variety of new organic fluorophores provided by the microwave-assisted dehydrogenative DA reaction allows for further advancement in these fields.

Convenient solvatochromic probes for the determination of solvent properties: {beta}-carotene and 2-chloro-7-nitro-9H-fluorene

Energy Technology Data Exchange (ETDEWEB)

Seoud, Omar A. El; Pires, Paulo A.R.; Loffredo, Carina; Imran, Muhammad; Pulcini, Paolo D.; Correa, Michelle F.; Mustafa, Rizwana, E-mail: elseoud@iq.usp.br [Universidade de Sao Paulo (USP), SP (Brazil). Instituto de Quimica

2013-07-15

Solvent dipolarity/polarizability (SDP) has been previously calculated from the UV-Vis spectra of 2-(N,N-dimethylamino)-7-nitro-9H-fluorene and 2-fluoro-7-nitro-9H- fluorene. Based on theoretical calculations (23 solvents) and experimental data (56 solvents), it is shown that 2-chloro-7-nitro-9H-fluorene (commercially available) can be conveniently employed for the calculation of this property, instead of its 2-fluoro-7-nitro counterpart. The splitting of SDP into its components (solvent dipolarity (SD) and polarizability (SP)) requires the use of a synthetic polyene compound whose synthesis is laborious, involving 15 steps. Our research group has recently shown that the natural dye {beta}-carotene can be conveniently employed for the determination of SP, allowing the calculation of SD. Using these solvatochromic probes, SDP, SP and SD for a series of 1-bromo alkanes were calculated. For several homologous series, the dependence of solvent SDP (SD and SP for one series) on the number of carbon atoms in the 1-alkyl- or acyl-group was calculated and discussed. (author)

An evaluation of health benefit modification in Taft-Hartley health and welfare funds: implications for encouraging tobacco-cessation coverage.

Science.gov (United States)

Au-Yeung, Caroline M; Weisman, Susan R; Hennrikus, Deborah J; Forster, Jean L; Skoog, Rodney; Luneburg, Wade; Hesse, Bernie

2010-12-01

An estimated one fifth of all U.S. adult smokers receive health benefits through insurance plans administered by Taft-Hartley Health and Welfare Funds. Most funds do not offer comprehensive tobacco-cessation services to fund participants despite evidence that doing so would be cost effective and save lives. This paper examines the decision-making processes of Minnesota-based fund trustees and advisors to identify factors that influence decisions about modifications to benefits. Formative data about the process by which funds make health benefit modifications were collected in 2007-2008 from 25 in-depth key informant interviews with fund trustees and a cross-section of fund advisors, including administrators, attorneys, and healthcare business consultants. Analyses were performed using a general inductive approach to identify conceptual themes, employing qualitative data analysis software. The most commonly cited factors influencing trustees' decisions about health plan benefit modifications-including modifications regarding tobacco-cessation benefits-were benefit costs, participants' demand for services, and safeguarding participants' health. Barriers included information gaps, concerns about participants' response, and difficulty projecting benefit utilization and success. Advisors wielded considerable influence in decision-making processes. Trustees relied on a small pool of business, legal, and administrative advisors to provide guidance and recommendations about possible health plan benefit modifications. Providing advisors with evidence-based information and resources about benefit design, cost/return-on-investment (ROI), effectiveness, and promotion may be an effective means to influence funds to provide comprehensive tobacco-cessation benefits. Copyright © 2010 American Journal of Preventive Medicine. Published by Elsevier Inc. All rights reserved.

Molecular dynamics and simulations study on the vibrational and electronic solvatochromism of benzophenone

Energy Technology Data Exchange (ETDEWEB)

Ravi Kumar, Venkatraman; Umapathy, Siva, E-mail: umapathy@ipc.iisc.ernet.in, E-mail: chandra@bii.a-star.edu.sg [Inorganic and Physical Chemistry Department, Indian Institute of Science, Bangalore 560012 (India); Verma, Chandra, E-mail: umapathy@ipc.iisc.ernet.in, E-mail: chandra@bii.a-star.edu.sg [Bioinformatics Institute - A*STAR, 30 Biopolis Street, # 07-01 Matrix, Singapore 138671 (Singapore); School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551 (Singapore); Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543 (Singapore)

2016-02-14

Solvent plays a key role in diverse physico-chemical and biological processes. Therefore, understanding solute-solvent interactions at the molecular level of detail is of utmost importance. A comprehensive solvatochromic analysis of benzophenone (Bzp) was carried out in various solvents using Raman and electronic spectroscopy, in conjunction with Density Functional Theory (DFT) calculations of supramolecular solute-solvent clusters generated using classical Molecular Dynamics Simulations (c-MDSs). The >C=O stretching frequency undergoes a bathochromic shift with solvent polarity. Interestingly, in protic solvents this peak appears as a doublet: c-MDS and ad hoc explicit solvent ab initio calculations suggest that the lower and higher frequency peaks are associated with the hydrogen bonded and dangling carbonyl group of Bzp, respectively. Additionally, the dangling carbonyl in methanol (MeOH) solvent is 4 cm{sup −1} blue-shifted relative to acetonitrile solvent, despite their similar dipolarity/polarizability. This suggests that the cybotactic region of the dangling carbonyl group in MeOH is very different from its bulk solvent structure. Therefore, we propose that this blue-shift of the dangling carbonyl originates in the hydrophobic solvation shell around it resulting from extended hydrogen bonding network of the protic solvents. Furthermore, the 1{sup 1}nπ{sup ∗} (band I) and 1{sup 1}ππ{sup ∗} (band II) electronic transitions show a hypsochromic and bathochromic shift, respectively. In particular, these shifts in protic solvents are due to differences in their excited state-hydrogen bonding mechanisms. Additionally, a linear relationship is obtained for band I and the >C=O stretching frequency (cm{sup −1}), which suggests that the different excitation wavelengths in band I correspond to different solvation states. Therefore, we hypothesize that the variation in excitation wavelengths in band I could arise from different solvation states leading to

Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.

Science.gov (United States)

Minezawa, Noriyuki; Kato, Shigeki

2007-02-07

The authors present an implementation of the three-dimensional reference interaction site model self-consistent-field (3D-RISM-SCF) method. First, they introduce a robust and efficient algorithm for solving the 3D-RISM equation. The algorithm is a hybrid of the Newton-Raphson and Picard methods. The Jacobian matrix is analytically expressed in a computationally useful form. Second, they discuss the solute-solvent electrostatic interaction. For the solute to solvent route, the electrostatic potential (ESP) map on a 3D grid is constructed directly from the electron density. The charge fitting procedure is not required to determine the ESP. For the solvent to solute route, the ESP acting on the solute molecule is derived from the solvent charge distribution obtained by solving the 3D-RISM equation. Matrix elements of the solute-solvent interaction are evaluated by the direct numerical integration. A remarkable reduction in the computational time is observed in both routes. Finally, the authors implement the first derivatives of the free energy with respect to the solute nuclear coordinates. They apply the present method to "solute" water and formaldehyde in aqueous solvent using the simple point charge model, and the results are compared with those from other methods: the six-dimensional molecular Ornstein-Zernike SCF, the one-dimensional site-site RISM-SCF, and the polarizable continuum model. The authors also calculate the solvatochromic shifts of acetone, benzonitrile, and nitrobenzene using the present method and compare them with the experimental and other theoretical results.

Impact of medium parameters on the optoelectronic characteristics of a polymer containing bisphenol A and 1,3,4-oxadiazole chromophore group

International Nuclear Information System (INIS)

Homocianu, Mihaela; Airinei, Anton; Dorneanu, Pascariu Petronela; Ipate, Alina Mirela; Hamciuc, Corneliu

2016-01-01

The photophysical characterization (absorption and emission spectra, fluorescence quantum yields, preferential solvation) of a polymer containing bisphenol A and 1,3,4-oxadiazole group (OxBisA) was studied in a wide variety of solvents. Influence of the medium characteristics on photophysical behavior was examined. The solvatochromic shifts of the spectral bands were analyzed by multiple parametric regression analysis in terms of solvent parameters of two new solvent scales (Catalan and new Laurence). Also, changes in the electronic emission spectral characteristics of OxBisA molecules were studied in chloroform solution in the presence of various amount of SnO 2 and NiO oxide nanoparticles. The fluorescence intensity of polymer OxBisA gradually decreased with increases of oxide nanoparticles concentrations. The emission intensity of studied compound was sensitive to the compositions of the microheterogeneous media (involving different chloroform:methanol ratios).

Impact of medium parameters on the optoelectronic characteristics of a polymer containing bisphenol A and 1,3,4-oxadiazole chromophore group

Energy Technology Data Exchange (ETDEWEB)

Homocianu, Mihaela, E-mail: michalupu@yahoo.co.uk; Airinei, Anton; Dorneanu, Pascariu Petronela; Ipate, Alina Mirela; Hamciuc, Corneliu

2016-08-15

The photophysical characterization (absorption and emission spectra, fluorescence quantum yields, preferential solvation) of a polymer containing bisphenol A and 1,3,4-oxadiazole group (OxBisA) was studied in a wide variety of solvents. Influence of the medium characteristics on photophysical behavior was examined. The solvatochromic shifts of the spectral bands were analyzed by multiple parametric regression analysis in terms of solvent parameters of two new solvent scales (Catalan and new Laurence). Also, changes in the electronic emission spectral characteristics of OxBisA molecules were studied in chloroform solution in the presence of various amount of SnO{sub 2} and NiO oxide nanoparticles. The fluorescence intensity of polymer OxBisA gradually decreased with increases of oxide nanoparticles concentrations. The emission intensity of studied compound was sensitive to the compositions of the microheterogeneous media (involving different chloroform:methanol ratios).

Polar and low polar solvents media effect on dipole moments of some diazo Sudan dyes

Science.gov (United States)

Zakerhamidi, M. S.; Golghasemi Sorkhabi, Sh.; Shamkhali, A. N.

2014-06-01

Absorption and fluorescence spectra of three Sudan dyes (SudanIII, SudanIV and Sudan black B) were recorded in various solvents with different polarity in the range of 300-800 nm, at room temperature. The solvatochromic method was used to investigate dipole moments of these dyes in ground and excited states, in different media. The solvatochromic behavior of these substances and their solvent-solute interactions were analyzed via solvent polarity parameters. Obtained results express the effects of solvation on tautomerism and molecular configuration (geometry) of Sudan dyes in solvent media with different polarity. Furthermore, analyze of solvent-solute interactions and value of ground and excited states dipole moments suggests different forms of resonance structures for Sudan dyes in polar and low-polar solvents.

Modeling systems containing alkanolamines with the CPA equation of state

DEFF Research Database (Denmark)

Avlund, Ane Søgaard; Kontogeorgis, Georgios; Michelsen, Michael Locht

2008-01-01

), and methyl diethanolamine (MDEA). Vapor pressures and liquid densities, as well as solvatochromic parameters and mixture liquid−liquid equilibria (LLE) data with alkanes are used to estimate the five pure-compound parameters. Vapor−liquid equilibria (VLE) calculations for cross-associating mixtures......, especially those with water, are used in the validation of the parameters. The influence on the results of the association scheme, cross-association combining rules, interaction parameters, and the data available is discussed also, in connection with other aqueous cross-associating mixtures previously...

Chemometric characterization of the hydrogen bonding complexes of secondary amides and aromatic hydrocarbons

OpenAIRE

Jović, Branislav; Nikolić, Aleksandar; Petrović, Slobodan

2012-01-01

The paper reports the results of the study of hydrogen bonding complexes between secondary amides and various aromatic hydrocarbons. The possibility of using chemometric methods was investigated in order to characterize N-H•••π hydrogen bonded complexes. Hierarchical clustering and Principal Component Analysis (PCA) have been applied on infrared spectroscopic and Taft parameters of 43 N-substituted amide complexes with different aromatic hydrocarbons. Results obtained in this report are...

5,6,7,9-Tetrahydro-[1,3]dioxolo[4,5-h]carbazol-8-one: A solvatochromic PET-acceptor fluorescent probe

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Sujay [Chemical Sciences Division, Saha Institute of Nuclear Physics, Kolkata 700064 (India); Mitra, Amrit Krishna [Department of Clinical and Experimental Pharmacology, School of Tropical Medicine, Kolkata 700073 (India); Basu, Samita, E-mail: samita.basu@saha.ac.in [Chemical Sciences Division, Saha Institute of Nuclear Physics, Kolkata 700064 (India); Chakraborty, Suchandra; Saha, Chandan [Department of Clinical and Experimental Pharmacology, School of Tropical Medicine, Kolkata 700073 (India)

2014-09-15

In the present work, 5,6,7,9-tetrahydro-[1,3]dioxolo[4,5-h]carbazol-8-one (TDCO) has been established as a solvatochromic probe and an acceptor of photoinduced electron transfer through electronic absorption spectroscopy, steady-state and time-resolved fluorescence measurements and also by using the laser flash photolysis technique. Fluorescence spectra of the compound are more sensitive than its absorption spectra towards the nature of solvent and the composition of solvent mixture. In solvents with higher dielectric constant and better H-bond formation ability, fluorescence maximum of the compound shifts toward red. The reasons behind such solvent sensitivity of TDCO in electronic excited state are its higher dipole moment in excited state and formation of hydrogen bond with solvents. TDCO interacts with aromatic amine bases N,N-dimethylaniline (DMA) and N,N-diethylaniline (DEA) in excited state and as a consequence its fluorescence intensity and lifetime are quenched. The quenching order is the same as the order of ionization potential of the amines. Transient absorption studies indicate the involvement of photoinduced electron transfer from the amines to TDCO as a result of which the corresponding radical cations and anions have been formed. Simulation studies show that TDCO has the tendency to remain in stacked conformation with DMA and DEA, which facilitates photoinduced electron transfer. - Highlights: • Emission spectrum of TDCO is a mirror image of its absorption spectrum. • Both electrostatic and H-bonding interactions influence TDCO emission maxima. • Acidity and basicity of solvent influence TDCO emission maxima the most. • Organic bases DMA and DEA quench TDCO fluorescence via PET mechanism. • DMA and DEA interact with TDCO via stacked conformation which is perfect for PET.

Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest pi-pi* transition.

Science.gov (United States)

Barreto, Rafael C; Coutinho, Kaline; Georg, Herbert C; Canuto, Sylvio

2009-03-07

A combined and sequential use of Monte Carlo simulations and quantum mechanical calculations is made to analyze the spectral shift of the lowest pi-pi* transition of phenol in water. The solute polarization is included using electrostatic embedded calculations at the MP2/aug-cc-pVDZ level giving a dipole moment of 2.25 D, corresponding to an increase of 76% compared to the calculated gas-phase value. Using statistically uncorrelated configurations sampled from the MC simulation, first-principle size-extensive calculations are performed to obtain the solvatochromic shift. Analysis is then made of the origin of the blue shift. Results both at the optimized geometry and in room-temperature liquid water show that hydrogen bonds of water with phenol promote a red shift when phenol is the proton-donor and a blue shift when phenol is the proton-acceptor. In the case of the optimized clusters the calculated shifts are in very good agreement with results obtained from mass-selected free jet expansion experiments. In the liquid case the contribution of the solute-solvent hydrogen bonds partially cancels and the total shift obtained is dominated by the contribution of the outer solvent water molecules. Our best result, including both inner and outer water molecules, is 570 +/- 35 cm(-1), in very good agreement with the small experimental shift of 460 cm(-1) for the absorption maximum.

Correlations and adsorption mechanisms of aromatic compounds on a high heat temperature treated bamboo biochar

International Nuclear Information System (INIS)

Yang, Kun; Yang, Jingjing; Jiang, Yuan; Wu, Wenhao; Lin, Daohui

2016-01-01

Adsorption of aromatic compounds, including polycyclic aromatic hydrocarbons, nitrobenzenes, phenols, and anilines, on a bamboo biochar produced at 700 °C (Ba700) was investigated with the mechanism discussion by isotherm fitting using the Polanyi-theory based Dubinin–Ashtakhov (DA) model. Correlations of adsorption capacity (Q 0 ) of organic compounds with their molecular sizes and melting points, as well as correlations of adsorption affinity (E) with their solvatochromic parameters (i.e., π* and α m ), on the biochar, were developed and indicating that adsorption is captured by the pore filling mechanism and derived from the hydrophobic effects of organic compounds and the forming of π-π electron donor-acceptor (EDA) interactions and hydrogen bonding interactions of organic molecules with surface sites of the biochar. The effects of organic molecular sizes and melting points on adsorption capacity are ascribed to the molecular sieving effect and the packing efficiency of the organic molecules in the biochar pores, respectively. These correlations can be used to quantitatively estimate the adsorption of organic compounds on biochars from their commonly physicochemical properties including solvatochromic parameters, melting points and molecular cross-sectional area. The prediction using these correlations is important for assessing the unknown adsorption behaviors of new organic compounds and also helpful to guide the surface modification of biochars and make targeted selection in the environmental applications of biochars as adsorbents. - Highlights: • Adsorption of organic chemicals on biochars are captured by pore filling mechanism. • Adsorption is derived from Van der Waals force, π-π EDA and H-bonding interactions. • Adsorption capacity is negatively correlated with organic molecular sizes/melting points. • Adsorption capacity is restricted by molecular sieving effect and packing efficiency. • Adsorption affinity has a LSER with chemical

Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism, hirshfeld surface and DNA-binding analysis

Science.gov (United States)

Hema, M. K.; Karthik, C. S.; Warad, Ismail; Lokanath, N. K.; Zarrouk, Abdelkader; Kumara, Karthik; Pampa, K. J.; Mallu, P.

2018-04-01

Trans-[Cu(O∩O)2] complex, O∩O = 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione was reported with high potential toward CT-DNA binder. The solved XRD-structure of complex indicated a perfect regular square-planer geometry around the Cu(II) center. The trans/cis-DFT-isomerization calculation supported the XRD seen in reflecting the trans-isomer as the kinetic-favor isomer. The desired complex structure was also characterized by conductivity measurement, CHN-elemental analyses, MS, EDX, SEM, UV-Vis., FT-IR, HAS and TG/DTG. The Solvatochromism behavior of the complex was evaluated using four different polar solvents. MPE and Hirshfeld surface analysis (HSA) come to an agreement that fluoride and thiophene protons atoms are with suitable electro-potential environment to form non-classical H-bonds of type CThsbnd H⋯F. The DNA-binding properties were investigated by viscosity tests and spectrometric titrations, the results revealed the complex as strong calf-thymus DNA binder. High intrinsic-binding constants value ∼1.8 × 105 was collected.

The impact of photoperiod insensitive Ppd-1a mutations on the photoperiod pathway across the three genomes of hexaploid wheat (Triticum aestivum).

Science.gov (United States)

Shaw, Lindsay M; Turner, Adrian S; Laurie, David A

2012-07-01

Flowering time is a trait that has been extensively altered during wheat domestication, enabling it to be highly productive in diverse environments and providing a rich source of variation for studying adaptation mechanisms. Hexaploid wheat is ancestrally a long-day plant, but many environments require varieties with photoperiod insensitivity (PI) that can flower in short days. PI results from mutations in the Ppd-1 gene on the A, B or D genomes, with individual mutations conferring different degrees of earliness. The basis of this is poorly understood. Using a common genetic background, the effects of A, B and D genome PI mutations on genes of the circadian clock and photoperiod pathway were studied using genome-specific expression assays. Ppd-1 PI mutations did not affect the clock or immediate clock outputs, but affected TaCO1 and TaFT1, with a reduction in TaCO1 expression as TaFT1 expression increased. Therefore, although Ppd-1 is related to PRR genes of the Arabidopsis circadian clock, Ppd-1 affects flowering by an alternative route, most likely by upregulating TaFT1 with a feedback effect that reduces TaCO1 expression. Individual genes in the circadian clock and photoperiod pathway were predominantly expressed from one genome, and there was no genome specificity in Ppd-1 action. Lines combining PI mutations on two or three genomes had enhanced earliness with higher levels, but not earlier induction, of TaFT1, showing that there is a direct quantitative relationship between Ppd-1 mutations, TaFT1 expression and flowering. © 2012 The Authors. The Plant Journal © 2012 Blackwell Publishing Ltd.

Photon Rao

Indian Academy of Sciences (India)

Volume 2 Issue 5 May 1997 pp 69-72 Feature Article. Molecule of the Month Molecular–Chameleon: Solvatochromism at its Iridescent Best! Photon Rao · More Details Fulltext PDF. Volume 16 Issue 12 December 2011 pp 1303-1306. Molecule of the Month - Molecular-Chameleon: Solvatochromism at its Iridescent Best!

Chemometric characterization of the hydrogen bonding complexes of secondary amides and aromatic hydrocarbons

Directory of Open Access Journals (Sweden)

Jović Branislav

2012-01-01

Full Text Available The paper reports the results of the study of hydrogen bonding complexes between secondary amides and various aromatic hydrocarbons. The possibility of using chemometric methods was investigated in order to characterize N-H•••π hydrogen bonded complexes. Hierarchical clustering and Principal Component Analysis (PCA have been applied on infrared spectroscopic and Taft parameters of 43 N-substituted amide complexes with different aromatic hydrocarbons. Results obtained in this report are in good agreement with conclusions of other spectroscopic and thermodynamic analysis.

Environment effects on the optical properties of some fluorinated poly(oxadiazole ether)s in binary solvent mixtures

International Nuclear Information System (INIS)

Homocianu, Mihaela; Ipate, Alina Mirela; Hamciuc, Corneliu; Airinei, Anton

2015-01-01

The solvatochromic behavior of some fluorinated poly(oxadiazole ether)s was studied using UV–vis absorption and fluorescence spectroscopy in neat solvents and in their solvent mixtures at several ratios of cosolvents. Quantitative investigations of the spectral changes caused by solvent polarity were discussed using the Lippert‐Mataga, Bakhshiev and Kawski–Chamma–Viallet polarity functions. Repartitioning of cosolvent between local (solvation shell) and bulk phase was investigated by means of a solvatochromic shift method in chloroform–N,N-dimethylformamide (CHCl 3 /DMF) and chloroform–dimethyl sulfoxide (CHCl 3 /DMSO) solvent mixtures. Solvatochromic properties in the binary solvent environments were predominantly influenced by the acidity and basicity of the solvent systems. The fluorescence quenching process by nitrobenzene was characterized by Stern–Volmer plots which display a positive deviation from linearity. This was explained by static and dynamic quenching mechanisms. - Highlights: • Solvatochromic behavior in solvent mixtures was studied. • Stokes shift and local environments in binary mixed solvent were discussed. • Repartitioning of cosolvent between local and bulk phase in solvent mixture has been investigated. • Fluorescence intensity was quenched in presence of nitrobenzene

A note on the role of phonological expectations in speech segmentation

OpenAIRE

Cutler, A.; Norris, D.; Williams, J.

1987-01-01

Word-initial CVC syllables are detected faster in words beginning consonant-vowel-consonant-vowel (CVCV-) than in words beginning consonant-vowel-consonant-consonant (CVCC-). This effect was reported independently by M. Taft and G. Hambly (1985, Journal of Memory and Language, 24, 320–335) and by A. Cutler, J. Mehler, D. Norris, and J. Segui (1986, Journal of Memory and Language, 25, 385–400). Taft and Hambly explained the effect in terms of lexical factors. This explanation cannot account fo...

Structural and spectral comparisons between isomeric benzisothiazole and benzothiazole based aromatic heterocyclic dyes

Science.gov (United States)

Wang, Yin-Ge; Wang, Yue-Hua; Tao, Tao; Qian, Hui-Fen; Huang, Wei

2015-09-01

A pair of isomeric heterocyclic compounds, namely 3-amino-5-nitro-[2,1]-benzisothiazole and 2-amino-6-nitrobenzothiazole, are used as the diazonium components to couple with two N-substituted 4-aminobenzene derivatives. As a result, two pairs of isomeric aromatic heterocyclic azo dyes have been produced and they are structurally and spectrally characterized and compared including single-crystal structures, electronic spectra, solvatochromism and reversible acid-base discoloration, thermal stability and theoretically calculations. It is concluded that both benzisothiazole and benzothiazole based dyes show planar molecular structures and offset π-π stacking interactions, solvatochromism and reversible acid-base discoloration. Furthermore, benzisothiazole based aromatic heterocyclic dyes exhibit higher thermal stability, larger solvatochromic effects and maximum absorption wavelengths than corresponding benzothiazole based ones, which can be explained successfully by the differences of their calculated isomerization energy, dipole moment and molecular band gaps.

Correlation analysis of reactivity in the oxidation of some organic diols by tripropylammonium fluorochromate in non-aqueous media

Directory of Open Access Journals (Sweden)

S. Sheik Mansoor

2016-09-01

Full Text Available The kinetics of oxidation of some organic diols by tripropylammonium fluorochromate (TriPAFC have been studied in dimethylsulfoxide (DMSO. The main product of oxidation is the corresponding hydroxy aldehydes. The reaction is first order with respect to TriPAFC and exhibited Michaelis-Menten type kinetics with respect to organic diols. The reaction is catalyzed by hydrogen ions. The hydrogen ion dependence has the form: kobs = a + b[H+]. Various thermodynamic parameters for the oxidation have been reported and discussed along with the validity of isokinetic relationship. Oxidation of diols was studied in 18 different organic solvents. The rate data are showing satisfactory correlation with Kamlet–Taft solvotochromic parameters (α, β and π∗. A suitable mechanism of oxidation has been proposed.

The USA Labor Unions Against the Legislative Restraint on Their Participation in Election Campaigns (1947-1948

Directory of Open Access Journals (Sweden)

Koryakova Irina Konstantinovna

2014-09-01

Full Text Available The article is devoted to investigating the struggle of the USA labor unions for the repeal of the Taft-Hartley law provision on the restraint of labor organizations’ political activity in connection with federal election campaigns. The author demonstrates that the united and active efforts of American labor unions became the main factor that made the USA Supreme Court interpret the Taft-Hartley law provision on the restraint of using labor expenditures for participating in election campaigns in favour of labor unions. The Taft-Hartley law was adopted in June of 1947 and became the main document determining the trends, forms and ways of governmental intervention into labor-management relations in the U.S. Signifying the transition from liberal statism to conservative statism, the Taft-Hartley law drastically changed the character of the state regulation of labor-management relations. Designed by the political forces intending to destroy the influence of trade unions, it seriously limited the resources and opportunities of labor party to uphold the interests of working population. As a result, the leaders of the American Federation of Labor and the Congress of Industrial Organizations were unanimous in their indignation regarding new legislation which actually put direct limitations on the right of trade unions to exercise political activities including the right to finance their participation in the presidential and congressional elections. According to the Section 304 of the law, labor unions were denied the right to contributions and expenditures related to all federal elections including primaries. It meant that labor was not permitted to publish the information about the candidates and to express the opinions about them as a whole in any newspaper (labor or commercial. The AFL and the CIO leaders called that Section unconstitutional and decided to strive for defining it unconstitutional by the Supreme Court. Following the recommendations

Synthesis and Characterization of Two New p-tert-Butylcalix[4]-arene Schiff Bases

Directory of Open Access Journals (Sweden)

Saeed Taghvaee Ganjali

2001-03-01

Full Text Available Synthesis and characterization of two new Schiff bases of p-tertbuthylcalix[4]arene (H2L1 and HL2 is described. The synthesis of H2L1 and HL2 has been achieved by the condensation of salicylaldehyde with the amine group of upper rim monoamine p-tert-butylcalix[4]arene in ethanol. These compounds have been characterized on the basis of elemental analysis and spectral data. Solvatochromicity and fluorescence properties were observed and measured for H2L1 and HL2. Solvatochromicity of these ligands indicates their potential for NLO applications.

75 FR 74935 - Rescission of Form T-1, Trust Annual Report; Requiring Subsidiary Organization Reporting on the...

Science.gov (United States)

2010-12-01

...'s] reporting requirements.'' 29 U.S.C. 438. Historically, the Department's LMRDA reporting program..., who owe a duty of loyalty to the trust. Taft-Hartley funds are established for the ``sole and...

Far-infrared Spectral Radiance Observations and Modeling of Arctic Cirrus: Preliminary Results From RHUBC

Science.gov (United States)

Humpage, Neil; Green, Paul D.; Harries, John E.

2009-03-01

Recent studies have highlighted the important contribution of the far-infrared (electromagnetic radiation with wavelengths greater than 12 μm) to the Earth's radiative energy budget. In a cloud-free atmosphere, a significant fraction of the Earth's cooling to space from the mid- and upper troposphere takes place via the water vapor pure rotational band between 17 and 33 μm. Cirrus clouds also play an important role in the Earth's outgoing longwave radiation. The effect of cirrus on far-infrared radiation is of particular interest, since the refractive index of ice depends strongly on wavelength in this spectral region. The scattering properties of ice crystals are directly related to the refractive index, so consequently the spectral signature of cirrus measured in the FIR is sensitive to the cloud microphysical properties [1, 2]. By examining radiances measured at wavelengths between the strong water vapor absorption lines in the FIR, the understanding of the relationship between cirrus microphysics and the radiative transfer of thermal energy through cirrus may be improved. Until recently, very few observations of FIR spectral radiances had been made. The Tropospheric Airborne Fourier Transform Spectrometer (TAFTS) was developed by Imperial College to address this lack of observational data. TAFTS observes both zenith and nadir radiances at 0.1 cm-1 resolution, between 80 and 600 cm-1. During February and March 2007, TAFTS was involved in RHUBC (the Radiative Heating in Under-explored Bands Campaign), an ARM funded field campaign based at the ACRF-North Slope of Alaska site near Barrow, situated at 71° latitude. Infrared zenith spectral observations were taken by both TAFTS and the AERI-ER (spectral range 400-3300 cm-1) from the ground during both cloud-free and cirrus conditions. A wide range of other instrumentation was also available at the site, including a micropulse lidar, 35 GHz radar and the University of Colorado/NOAA Ground-based Scanning Radiometer

Effect of Solvation on Electron Detachment and Excitation Energies of a Green Fluorescent Protein Chromophore Variant.

Science.gov (United States)

Bose, Samik; Chakrabarty, Suman; Ghosh, Debashree

2016-05-19

Hybrid quantum mechanics/molecular mechanics (QM/MM) is applied to the fluorinated green fluorescent protein (GFP) chromophore (DFHBDI) in its deprotonated form to understand the solvatochromic shifts in its vertical detachment energy (VDE) and vertical excitation energy (VEE). This variant of the GFP chromophore becomes fluorescent in an RNA environment and has a wide range of applications in biomedical and biochemical fields. From microsolvation studies, we benchmark (with respect to full QM) the accuracy of our QM/MM calculations with effective fragment potential (EFP) as the MM method of choice. We show that while the solvatochromic shift in the VEE is minimal (0.1 eV blue shift) and its polarization component is only 0.03 eV, the effect of the solvent on the VDE is quite large (3.85 eV). We also show by accurate calculations on the solvatochromic shift of the VDE that polarization accounts for ∼0.23 eV and therefore cannot be neglected. The effect of the counterions on the VDE of the deprotonated chromophore in solvation is studied in detail, and a charge-smearing scheme is suggested for charged chromophores.

Solvent effect on indocyanine dyes: A computational approach

International Nuclear Information System (INIS)

Bertolino, Chiara A.; Ferrari, Anna M.; Barolo, Claudia; Viscardi, Guido; Caputo, Giuseppe; Coluccia, Salvatore

2006-01-01

The solvatochromic behaviour of a series of indocyanine dyes (Dyes I-VIII) was investigated by quantum chemical calculations. The effect of the polymethine chain length and of the indolenine structure has been satisfactorily reproduced by semiempirical Pariser-Parr-Pople (PPP) calculations. The solvatochromism of 3,3,3',3'-tetramethyl-N,N'-diethylindocarbocyanine iodide (Dye I) has been deeply investigated within the ab initio time-dependent density functional theory (TD-DFT) approach. Dye I undergoes non-polar solvation and a linear correlation has been individuated between absorption shifts and refractive index. Computed absorption λ max and oscillator strengths obtained by TD-DFT are in good agreement with the experimental data

Kinetics and mechanism of oxidation of aliphatic alcohols by ...

Indian Academy of Sciences (India)

Unknown

distilled. All other reagents were commercial products and were purified by the usual ..... charge separation takes place in the transition state of the reaction. ... correlation separately with Taft's 18 α* and Es. The correlation with σ* accounts for.

Strategies of Educational Planning. Proceedings of the Annual Conference on the Economics of Education (2nd, Tallahassee, Florida, July, 1968).

Science.gov (United States)

Kraft, Richard H.P., Ed.

Eight papers focus on strategies for educational planning. In "Policy Formulation and Policy Implementation Relationships in an Educational System," Donald Miller asserts that performance relationships can be explained in terms of an educational system and its environment. Arnold Reisman and Martin Taft present "A Systems Approach…

The Modern First Lady and Public Policy: From Edith Wilson through Hillary Rodham Clinton.

Science.gov (United States)

Black, Allida M.

2001-01-01

Discusses the role in and influence on public policy of twentieth century First Ladies including Edith Roosevelt, Helen Taft, Ellen Wilson, Edith Wilson, Florence Harding, Lou Henry Hoover, Eleanor Roosevelt, Jacqueline Kennedy, Lady Bird Johnson, Rosalynn Carter, Nancy Reagan, Barbara Bush, and Hillary Rodham Clinton. (CMK)

Genesis of a Joint Gallery of Sport Art.

Science.gov (United States)

Kozar, Andrew J.

1989-01-01

The University of Pennsylvania's dual sport art gallery showcases the work of R. Taft McKenzie and Joe Brown, two of the premier sport artists of our time. This article briefly outlines the artists' careers and describes the planning which led to establishment of the gallery. (IAH)

GEBED IN DIE LITURGIE: 'N PRAKTIES-TEOLOGIESE VERKENNING

African Journals Online (AJOL)

die erediens voorkom nie en anders is as vrye gebede wat gelowiges bid, byvoorbeeld tydens persoonlike stiltetyd of 'n sogenaamde “skietgebed” op enige gegewe moment. Oor die laasgenoemde soort liturgiese gebed bestaan baie bronne, byvoorbeeld die bekende werk van Taft (1993)1 in die Rooms-Katolieke tradisie ...

Synthesis, structure and study of azo-hydrazone tautomeric equilibrium of 1,3-dimethyl-5-(arylazo)-6-amino-uracil derivatives

Science.gov (United States)

Debnath, Diptanu; Roy, Subhadip; Li, Bing-Han; Lin, Chia-Her; Misra, Tarun Kumar

2015-04-01

Azo dyes, 1,3-dimethyl-5-(arylazo)-6-aminouracil (aryl = -C6H5 (1), -p-CH3C6H4 (2), -p-ClC6H4 (3), -p-NO2C6H4 (4)) were prepared and characterized by UV-vis, FT-IR, 1H NMR, 13C NMR spectroscopic techniques and single crystal X-ray crystallographic analysis. In the light of spectroscopic analysis it evidences that of the tautomeric forms, the azo-enamine-keto (A) form is the predominant form in the solid state whereas in different solvents it is the hydrazone-imine-keto (B) form. The study also reveals that the hydrazone-imine-keto (B) form exists in an equilibrium mixture with its anionic form in various organic solvents. The solvatochromic and photophysical properties of the dyes in various solvents with different hydrogen bonding parameter were investigated. The dyes exhibit positive solvatochromic property on moving from polar protic to polar aprotic solvents. They are fluorescent active molecules and exhibit high intense fluorescent peak in some solvents like DMSO and DMF. It has been demonstrated that the anionic form of the hydrazone-imine form is responsible for the high intense fluorescent peak. In addition, the acid-base equilibrium in between neutral and anionic form of hydrazone-imine form in buffer solution of varying pH was investigated and evaluated the pKa values of the dyes by making the use of UV-vis spectroscopic methods. The determined acid dissociation constant (pKa) values increase according to the sequence of 2 > 1 > 3 > 4.

Analysis of Ethane and Diethylbenzene Bridged Sorbents

Science.gov (United States)

2017-12-13

Textiles modified in this manner have been shown to reduce or eliminate transport of chemical warfare agents and simulants across the fabric barrier...B.J. Johnson; B.J. Melde; M.H. Moore; A.P. Malanoski; J.R. Taft, "Improving sorbents for glycerol capture in biodiesel refinement," Materials 10

Solvation Effects on Electronic Transitions: Exploring the Performance of Advanced Solvent Potentials in Polarizable Embedding Calculations

DEFF Research Database (Denmark)

Schwabe, Tobias; Olsen, Magnus; Sneskov, Kristian

2011-01-01

The polarizable embedding (PE) approach, which combines quantum mechanics (QM) and molecular mechanics (MM), is applied to predict solvatochromic effects on excitation energies of several representative molecules in aqueous, methanol, acetonitrile, and carbon tetrachloride solutions. Good agreement...

Viscosity induced emission of red-emitting NLOphoric coumarin morpholine-thiazole hybrid styryl dyes as FMRs: Consolidated experimental and theoretical approach

Science.gov (United States)

Avhad, Kiran C.; Patil, Dinesh S.; Chitrambalam, S.; Sreenath, M. C.; Joe, I. Hubert; Sekar, Nagaiyan

2018-05-01

Four new coumarin hybrid styryl dyes are synthesized by condensing 4-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-2-morpholinothiazole-5-carbaldehyde with dicyanovinylene containing active methylene intermediates and their linear and non-linear optical properties are studied. The dye having dicyanovinylene-isophorone acceptor displayed a large Stokes shift of 3702-4795 cm-1 in non-polar to polar solvent respectively. The dyes exhibit a good charge transfer characteristics and positive emission solvatochromism (∼50 nm-72 nm) in non-polar to a polar solvent which is well supported by multi-linear regression analysis. Viscosity induced enhancement study in ethanol/polyethylene glycol-400 system shows 2.71-6.78 fold increase in emission intensity. The intra and twisted-intramolecular charge transfer (ICT-TICT) characteristics were established using emission solvatochromism, polarity plots, generalised Mullikan-Hush (GMH) analysis and optimized geometry. A dye having the highest charge transfer dipole moment relatively possess the maximum two-photon absorption cross-section area (KK-1 = 165-207 GM) which was established using theoretical two-level model. The NLO properties have been investigated employing solvatochromic and computational methods and were found to be directly proportional to the polarity of the solvent. Z-scan results reveal that the dyes KK-1 and KK-2 possesses reverse saturable kind of behaviour whereas KK-3 and KK-4 show saturable kind of behaviour. From the experimental and theoretical data, these coumarin thiazole hybrid dyes can be considered as promising candidates for FMR and NLOphores.

Amid Fiscal Crisis, L.A. Gives Site Councils Budget Reins

Science.gov (United States)

Sawchuk, Stephen

2009-01-01

At Jefferson High School, a governing body made up of teachers, nonclassroom-based educators, parents, and Principal Michael Taft appears to be living the dream, to the extent such a thing is possible during a staggering fiscal crisis. The leadership team, officially known as a "school site council," has mainly used an infusion of…

Model prodrugs for the intestinal oligopeptide transporter

DEFF Research Database (Denmark)

Nielsen, C U; Andersen, R; Brodin, Birger

2001-01-01

The human intestinal di/tri-peptide carrier, hPepT1, has been suggested as a target for increasing intestinal transport of low permeability compounds by creating prodrugs designed for the transporter. Model ester prodrugs using the stabilized dipeptides D-Glu-Ala and D-Asp-Ala as pro...... with a pH of approximately 6.0, but still release the model drug at the intercellular and blood pH of approximately 7.4. Even though benzyl alcohol is not a low molecular weight drug molecule, these results indicate that the dipeptide prodrug principle is a promising drug delivery concept. However......, the physico-chemical properties such as electronegativity, solubility, and log P of the drug molecule may also have an influence on the potential of these kinds of prodrugs. The purpose of the present study is to investigate whether the model drug electronegativity, estimated as Taft substitution parameter...

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

The oxidation of [1,1-2H2]ethanol (MeCD2OH) exhibits a substantial primary kinetic isotope effect. The reaction has been studied in nineteen different organic solvents. The solvent effect was analysed using Taft's and Swain's multiparametric equations. The rate of oxidation is susceptible to both polar and steric effects of the ...

Molecular design of new hydrazone dyes for dye-sensitized solar cells: Synthesis, characterization and DFT study

KAUST Repository

Al-Sehemi, Abdullah G.; Irfan, Ahmad; Asiri, Abdullah M.; Ammar, Yousry Ahmed

2012-01-01

}ethylene-1,1,2-tricarbonitrile (BBHPET) have been synthesized. The dyes showed pronounced solvatochromic effects as the polarity of the solvents increased. The structures have been optimized at B3LYP/6-31G(d) level of theory. The torsion in E

Degree of Response to Homeopathic Potencies Correlates with Dipole Moment Size in Molecular Detectors: Implications for Understanding the Fundamental Nature of Serially Diluted and Succussed Solutions.

Science.gov (United States)

Cartwright, Steven J

2018-02-01

 The use of solvatochromic dyes to investigate homeopathic potencies holds out the promise of understanding the nature of serially succussed and diluted solutions at a fundamental physicochemical level. Recent studies have shown that a range of different dyes interact with potencies and, moreover, the nature of the interaction is beginning to allow certain specific characteristics of potencies to be delineated.  The study reported in this article takes previous investigations further and aims to understand more about the nature of the interaction between potencies and solvatochromic dyes. To this end, the UV-visible spectra of a wide range of potential detectors of potencies have been examined using methodologies previously described.  Results presented demonstrate that solvatochromic dyes are a sub-group of a larger class of compounds capable of demonstrating interactions with potencies. In particular, amino acids containing an aromatic bridge also show marked optical changes in the presence of potencies. Several specific features of molecular detectors can now be shown to be necessary for significant interactions with homeopathic potencies. These include systems with a large dipole moment, electron delocalisation, polarizability and molecular rigidity.  Analysis of the optical changes occurring on interaction with potencies suggests that in all cases potencies increase the polarity of molecular detectors to a degree that correlates with the size of the compound's permanent or ground dipole moment. These results can be explained by inferring that potencies themselves have polarity. Possible candidates for the identity of potencies, based on these and previously reported results, are discussed. The Faculty of Homeopathy.

Molecule of the Month

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 2; Issue 5. Molecule of the Month Molecular–Chameleon: Solvatochromism at its Iridescent Best! Photon Rao. Feature Article Volume 2 Issue 5 May 1997 pp 69-72. Fulltext. Click here to view fulltext PDF. Permanent link:

Environmentally sensitive probes for monitoring protein-membrane interactions at nanomolar concentrations

Czech Academy of Sciences Publication Activity Database

Shvadchak, Volodymyr V.; Kucherak, Oleksandr; Afitska, Kseniia; Dziuba, D.; Yushchenko, Dmytro A.

2017-01-01

Roč. 1859, č. 5 (2017), s. 852-859 ISSN 0005-2736 Institutional support: RVO:61388963 Keywords : solvatochromic probes * fluorescence * protein-membrane interaction * affinity * binding stoichiometry * alpha-synuclein Subject RIV: CE - Biochemistry OBOR OECD: Biochemistry and molecular biology Impact factor: 3.498, year: 2016

A Theoretical investigation of a potential high energy density compound 3,6,7,8-tetranitro-3,6,7,8-tetraaza-tricyclo[3.1.1.1(2,4]octane

Directory of Open Access Journals (Sweden)

Guozheng Zhao

2013-01-01

Full Text Available The B3LYP/6-31G (d density functional theory (DFT method was used to study molecular geometry, electronic structure, infrared spectrum (IR and thermodynamic properties. Heat of formation (HOF and calculated density were estimated to evaluate detonation properties using Kamlet-Jacobs equations. Thermal stability of 3,6,7,8-tetranitro-3,6,7,8-tetraaza-tricyclo [3.1.1.1(2,4]octane (TTTO was investigated by calculating bond dissociation energy (BDE at the unrestricted B3LYP/6-31G(d level. Results showed the N-NO2 bond is a trigger bond during the thermolysis initiation process. The crystal structure obtained by molecular mechanics (MM methods belongs to P2(1/C space group, with cell parameters a = 8.239 Å, b = 8.079 Å, c = 16.860 Å, Z = 4 and r = 1.922 g cm-3. Both detonation velocity of 9.79 km s-1 and detonation pressure of 44.22 GPa performed similarly to CL-20. According to the quantitative standards of energetics and stability, TTTO essentially satisfies this requirement as a high energy density compound (HEDC.

Annual Report of the Assembly of Mathematical and Physical Sciences for Calendar Year 1978 (January 1, 1978 - December 31, 1978).

Science.gov (United States)

1978-01-01

Colin B. Bull (1980) College of Mathematical and Physical Bruce A. Taft (1981) Science Department of Oceanography Ohio State University Washington...Gottschalk, Joseph Kestin (1981) and Richard W. Kline Division of Engineering Department of Energy Brown University (Engineering) Harold E. Bamford ...Research and Engineering (Climate dynamics, international Laboratory cooperation) (Arctic ecology, soil science) George Gryc (1981) Colin B. Bull (1980

SOME METHODOLOGICAL CONSIDERATIONS FOR THE STUDY OF THE HISTORIC AND CURRENT ENCOUNTERS BETWEEN CHRISTIAN AND MUSLIM COMMUNITIES

Directory of Open Access Journals (Sweden)

Adam A.J. DeVille

2013-05-01

Full Text Available Drawing on, but expanding and altering mutatis mutandis some principles enunciated by the greatest Byzantine liturgical historian writing today, Robert F. Taft (emeritus of the Pontifical Oriental Institute in Rome, this paper will propose some methodological considerations for the study of the encounters and relations between Eastern Christian and Muslim communities from the seventh century to the present day.

Creating Profiles from User Network Behavior

Science.gov (United States)

2013-09-01

We varied the m-estimate in Naïve Bayes, m for pruning in Learning Tree, and how many k nearest neighbors to select from in KNN, before settling on the...N. Taft, “The cubicle vs. the coffee shop: behavioral modes in enterprise end-users,” in Proc. of the 9th Int. Conf. on Passive and Active Network

Semiannual Report, April 1 1999 through September 30, 1999.

Science.gov (United States)

1999-11-01

Nonlinear Difference Equation Models from Data for Flow Control Richard Longman Modern feedback control system design methods usually make use of a...Layer" Goossens , Serge, Katholieke Universitaeit, Belgium July 22 "Two-level Algorithms for Overlapping Composite Mesh Difference Methods" Taft, James...Physical Sciences - Flow Control Llorente, Ignacio Applied & Numerical Math Longman, Richard Physical Sciences - Flow Control University of Paris

Preferential solvation of fluorenone and 4-hydroxyfluorenone in binary solvent mixtures

International Nuclear Information System (INIS)

Jozefowicz, Marek; Heldt, Janina R.

2003-01-01

Preferential solvation of fluorenone and 4-hydroxyfluorenone in binary solvent mixtures has been studied using steady-state spectroscopic measurements. This study concerns the solvent-induced shift of the absorption and fluorescence spectra of both molecules in two solvent mixtures, i.e., cyclohexane-tetrahydrofuran and cyclohexane-ethanol. The first system contains polar solute molecules, fluorenone and 4-hydroxyfluorenone, in a mixture of polar aprotic (tetrahydrofuran) and non-polar (cyclohexane) solvents. In the second solvents mixture, hydrogen bonding with solute molecules (ethanol) may occur. The results of spectroscopic measurements are analysed using theoretical models of Bakshiev, Mazurenko and Suppan which describe preferential solvation phenomena. In the case of cyclohexane-tetrahydrofuran mixtures, the deviation from linearity in the absorption and fluorescence solvatochromic shifts vs. the solution polarity is due to non-specific dipolar solvent-solute interactions. For cyclohexane-ethanol binary mixtures, both non-specific and specific (hydrogen bond and proton-relay tautomerization) interactions contribute to the observed solvatochromism

The use of Nile Red to monitor the aggregation behavior in ternary surfactant-water-organic solvent systems

NARCIS (Netherlands)

Stuart, MCA; van de Pas, JC; Engberts, JBFN; Pas, John C. van de

Ternary systems of surfactants, water and organic solvents were studied by monitoring the steady-state fluorescence of the versatile solvatochromic probe Nile Red. We found not only that Nile Red can be used throughout the whole isotropic regions in the phase diagram, but also that subtle changes in

Soluble polymeric dual sensor for temperature and pH value

NARCIS (Netherlands)

Pietsch, C.; Hoogenboom, R.; Schubert, U.S.

2009-01-01

Two birds with one stone: A thermoresponsive copolymer (see picture, blue beads) bearing a pH-responsive solvatochromic dye (red beads) acts as the first dual sensor for temperature and pH value (black curve). When the hydrophilicity of the copolymer is increased by using a monomer with more

Triplet excited electronic state switching induced by hydrogen bonding: A transient absorption spectroscopy and time-dependent DFT study

Energy Technology Data Exchange (ETDEWEB)

Ravi Kumar, Venkatraman; Ariese, Freek; Umapathy, Siva, E-mail: umapathy@ipc.iisc.ernet.in [Inorganic and Physical Chemistry Department, Indian Institute of Science, Bangalore 560012 (India)

2016-03-21

The solvent plays a decisive role in the photochemistry and photophysics of aromatic ketones. Xanthone (XT) is one such aromatic ketone and its triplet-triplet (T-T) absorption spectra show intriguing solvatochromic behavior. Also, the reactivity of XT towards H-atom abstraction shows an unprecedented decrease in protic solvents relative to aprotic solvents. Therefore, a comprehensive solvatochromic analysis of the triplet-triplet absorption spectra of XT was carried out in conjunction with time dependent density functional theory using the ad hoc explicit solvent model approach. A detailed solvatochromic analysis of the T-T absorption bands of XT suggests that the hydrogen bonding interactions are different in the corresponding triplet excited states. Furthermore, the contributions of non-specific and hydrogen bonding interactions towards differential solvation of the triplet states in protic solvents were found to be of equal magnitude. The frontier molecular orbital and electron density difference analysis of the T{sub 1} and T{sub 2} states of XT indicates that the charge redistribution in these states leads to intermolecular hydrogen bond strengthening and weakening, respectively, relative to the S{sub 0} state. This is further supported by the vertical excitation energy calculations of the XT-methanol supra-molecular complex. The intermolecular hydrogen bonding potential energy curves obtained for this complex in the S{sub 0}, T{sub 1}, and T{sub 2} states support the model. In summary, we propose that the different hydrogen bonding mechanisms exhibited by the two lowest triplet excited states of XT result in a decreasing role of the nπ{sup ∗} triplet state, and are thus responsible for its reduced reactivity towards H-atom abstraction in protic solvents.

Analyzing the Effectiveness of Logistics Networks During the Immediate Response Phase of Three Different Natural Disasters

Science.gov (United States)

2010-12-01

Conference. Washington: IEEE. Mankiw , N. (2007). Essentials of economics . Mason: Thomson South-Western. Margesson, R., & Taft-Morales, M. (2010). Haiti...last decade affected the global demographic, social, and economic environment in a way that had not happened before. The size of many disasters...homeless. The demographic, social, and economic impact varied from domestic to international in scope as well. The effects were devastating, especially

The Clinical Prediction of Dangerousness.

Science.gov (United States)

1985-05-01

8217 8 ings. Szasz (1963) has argued persuasively that clinical predictions of future dangerous behavior are unfairly focused on the mentally ill...Persons labeled paranoid, Szasz states, are readily commitable, while highly dangerous drunken drivers are not. Indeed, dangerousness such as that...Psychology, 31, 492-494. Szasz , T. (1963). Law, liberty and psychiatry. New York: Macmillan. Taft, R. (1955). The ability to judge people. Psychological

Parameter Estimation

DEFF Research Database (Denmark)

Sales-Cruz, Mauricio; Heitzig, Martina; Cameron, Ian

2011-01-01

of optimisation techniques coupled with dynamic solution of the underlying model. Linear and nonlinear approaches to parameter estimation are investigated. There is also the application of maximum likelihood principles in the estimation of parameters, as well as the use of orthogonal collocation to generate a set......In this chapter the importance of parameter estimation in model development is illustrated through various applications related to reaction systems. In particular, rate constants in a reaction system are obtained through parameter estimation methods. These approaches often require the application...... of algebraic equations as the basis for parameter estimation.These approaches are illustrated using estimations of kinetic constants from reaction system models....

Resonance – Journal of Science Education | News

Indian Academy of Sciences (India)

More Details Fulltext PDF. pp 69-72 Feature Article. Molecule of the Month Molecular–Chameleon: Solvatochromism at its Iridescent Best! Photon Rao · More Details Fulltext PDF. pp 73-75 Classroom. Is Heaven a Pleasant Place? G S Ranganath · More Details Fulltext PDF. pp 76-76 Think It Over. Buffon's Needle Problem.

Response Characterization of a Fiber Optic Sensor Array with Dye-Coated Planar Waveguide for Detection of Volatile Organic Compounds

Directory of Open Access Journals (Sweden)

Jae-Sung Lee

2014-07-01

Full Text Available We have developed a multi-array side-polished optical-fiber gas sensor for the detection of volatile organic compound (VOC gases. The side-polished optical-fiber coupled with a polymer planar waveguide (PWG provides high sensitivity to alterations in refractive index. The PWG was fabricated by coating a solvatochromic dye with poly(vinylpyrrolidone. To confirm the effectiveness of the sensor, five different sensing membranes were fabricated by coating the side-polished optical-fiber using the solvatochromic dyes Reinhardt’s dye, Nile red, 4-aminophthalimide, 4-amino-N-methylphthalimide, and 4-(dimethylaminocinnamaldehyde, which have different polarities that cause changes in the effective refractive index of the sensing membrane owing to evanescent field coupling. The fabricated gas detection system was tested with five types of VOC gases, namely acetic acid, benzene, dimethylamine, ethanol, and toluene at concentrations of 1, 2,…,10 ppb. Second-regression and principal component analyses showed that the response properties of the proposed VOC gas sensor were linearly shifted bathochromically, and each gas showed different response characteristics.

WIPP Compliance Certification Application calculations parameters. Part 1: Parameter development

International Nuclear Information System (INIS)

Howarth, S.M.

1997-01-01

The Waste Isolation Pilot Plant (WIPP) in southeast New Mexico has been studied as a transuranic waste repository for the past 23 years. During this time, an extensive site characterization, design, construction, and experimental program was completed, which provided in-depth understanding of the dominant processes that are most likely to influence the containment of radionuclides for 10,000 years. Nearly 1,500 parameters were developed using information gathered from this program; the parameters were input to numerical models for WIPP Compliance Certification Application (CCA) Performance Assessment (PA) calculations. The CCA probabilistic codes frequently require input values that define a statistical distribution for each parameter. Developing parameter distributions begins with the assignment of an appropriate distribution type, which is dependent on the type, magnitude, and volume of data or information available. The development of the parameter distribution values may require interpretation or statistical analysis of raw data, combining raw data with literature values, scaling of lab or field data to fit code grid mesh sizes, or other transformation. Parameter development and documentation of the development process were very complicated, especially for those parameters based on empirical data; they required the integration of information from Sandia National Laboratories (SNL) code sponsors, parameter task leaders (PTLs), performance assessment analysts (PAAs), and experimental principal investigators (PIs). This paper, Part 1 of two parts, contains a discussion of the parameter development process, roles and responsibilities, and lessons learned. Part 2 will discuss parameter documentation, traceability and retrievability, and lessons learned from related audits and reviews

Seroprevalence of Brucella antibodies in harbor seals in Alaska, USA, with age, regional, and reproductive comparisons.

Science.gov (United States)

Hoover-Miller, A; Dunn, J L; Field, C L; Blundell, G; Atkinson, S

2017-09-20

Populations of harbor seal Phoca vitulina in the Gulf of Alaska have dramatically declined during the past 4 decades. Numbers of seals in Glacier Bay, in southeast Alaska, USA, have also declined despite extensive protection. Causes of the declines and slow recovery are poorly understood. Brucellosis is a zoonotic disease that adversely affects reproduction in many domestic species. We measured the seroprevalence of Brucella antibodies in 554 harbor seals in 3 Alaska locations: Prince William Sound (PWS), Glacier Bay (GB), and Tracy Arm Fords Terror (TAFT) Wilderness Area. Objectives included testing for regional, sex, age, and female reproductive state differences in Brucella antibody seroprevalence, persistence in titers in recaptured seals, and differences in titers between mother seals and their pups. Overall, 52% of adults (AD), 53% of subadults (SA), 77% of yearlings (YRL), and 26% of Brucella. Results show higher seroprevalence (64%) for AD and SA seals in the depressed and declining populations in PWS and GB than in TAFT (29%). Lactating females were less likely to be seropositive than other AD females, including pregnant females. Further research is needed to seek evidence of Brucella infection in Alaskan harbor seals, identify effects on neonatal viability, and assess zoonotic implications for Alaska Natives who rely on harbor seals for food.

Lumped-parameter models

Energy Technology Data Exchange (ETDEWEB)

Ibsen, Lars Bo; Liingaard, M.

2006-12-15

A lumped-parameter model represents the frequency dependent soil-structure interaction of a massless foundation placed on or embedded into an unbounded soil domain. In this technical report the steps of establishing a lumped-parameter model are presented. Following sections are included in this report: Static and dynamic formulation, Simple lumped-parameter models and Advanced lumped-parameter models. (au)

Effect of the Civil-Military Relationship on the Philippine-American War

Science.gov (United States)

2016-08-04

centennial /benevolent.html. 32 It is still unclear whether the Americans or the Filipinos shot first, with each side blaming the other after...his political career was over. He fell into a state of depression and wrote to his friend, William H. Taft, that he began to make plans to attend...Benevolent Assimilation Proclamation,” December 21, 1898. Accessed on December 21, 2015. http://www.msc.edu.ph/ centennial /benevolent.html. 51 ___. State

The War against Drugs. How much Support is Enough

Science.gov (United States)

1990-02-27

Miami Chamber of Commerce , he stated: "We have seen how Cuba uses drug smugglers to funnel arms to Communist insurgencies and terrorists. And it is not...34 Address to the Miami Chamber of Commerce , Miami, Florida: 14 September 1984. 2. National Drug Control Strategy (Washington: The White House...Drugs: The International Dimension." Address to the Miami Chamber of Commerce , Miami, Florida: 14 September 1984. 20. Soldiers, 1 January 1990 21. Taft

Booster parameter list

International Nuclear Information System (INIS)

Parsa, Z.

1986-10-01

The AGS Booster is designed to be an intermediate synchrotron injector for the AGS, capable of accelerating protons from 200 MeV to 1.5 GeV. The parameters listed include beam and operational parameters and lattice parameters, as well as parameters pertaining to the accelerator's magnets, vacuum system, radio frequency acceleration system, and the tunnel. 60 refs., 41 figs

A parameter tree approach to estimating system sensitivities to parameter sets

International Nuclear Information System (INIS)

Jarzemba, M.S.; Sagar, B.

2000-01-01

A post-processing technique for determining relative system sensitivity to groups of parameters and system components is presented. It is assumed that an appropriate parametric model is used to simulate system behavior using Monte Carlo techniques and that a set of realizations of system output(s) is available. The objective of our technique is to analyze the input vectors and the corresponding output vectors (that is, post-process the results) to estimate the relative sensitivity of the output to input parameters (taken singly and as a group) and thereby rank them. This technique is different from the design of experimental techniques in that a partitioning of the parameter space is not required before the simulation. A tree structure (which looks similar to an event tree) is developed to better explain the technique. Each limb of the tree represents a particular combination of parameters or a combination of system components. For convenience and to distinguish it from the event tree, we call it the parameter tree. To construct the parameter tree, the samples of input parameter values are treated as either a '+' or a '-' based on whether or not the sampled parameter value is greater than or less than a specified branching criterion (e.g., mean, median, percentile of the population). The corresponding system outputs are also segregated into similar bins. Partitioning the first parameter into a '+' or a '-' bin creates the first level of the tree containing two branches. At the next level, realizations associated with each first-level branch are further partitioned into two bins using the branching criteria on the second parameter and so on until the tree is fully populated. Relative sensitivities are then inferred from the number of samples associated with each branch of the tree. The parameter tree approach is illustrated by applying it to a number of preliminary simulations of the proposed high-level radioactive waste repository at Yucca Mountain, NV. Using a

Inventory parameters

CERN Document Server

Sharma, Sanjay

2017-01-01

This book provides a detailed overview of various parameters/factors involved in inventory analysis. It especially focuses on the assessment and modeling of basic inventory parameters, namely demand, procurement cost, cycle time, ordering cost, inventory carrying cost, inventory stock, stock out level, and stock out cost. In the context of economic lot size, it provides equations related to the optimum values. It also discusses why the optimum lot size and optimum total relevant cost are considered to be key decision variables, and uses numerous examples to explain each of these inventory parameters separately. Lastly, it provides detailed information on parameter estimation for different sectors/products. Written in a simple and lucid style, it offers a valuable resource for a broad readership, especially Master of Business Administration (MBA) students.

Photophysical behavior of some aromatic poly(1,3,4-oxadiazole-ether)s derivatives.

Science.gov (United States)

Ipate, A M; Homocianu, M; Hamciuc, C; Airinei, A; Bruma, M

2014-04-05

The change in electronic absorption and emission spectra of two fluorinated poly(1,3,4-oxadiazole-ether)s in neat and binary solvent mixtures has been studied. The optical properties, absorption and photoluminescence of these polymers were investigated in solution and in solid state. The results were discussed as a function of solvent nature, excitation wavelength and local solvent composition, X2. The Catalan solvent scale was used for describing the solvatochromic shifts of the absorption and emission bands. The following binary solvent mixtures were used: chloroform-N,N'-dimethylformamide (CHCl3-DMF), chloroform-dimethyl sulfoxide (CHCl3-DMSO), and dimethylformamide-dimethyl sulfoxide (DMF-DMSO) and the influence of their composition on the absorption and emission maxima has been analyzed. The preferential solvation parameters such as local mole fraction (X2(L)), excess function (δs2) and preferential solvation constant (KPS) were determined. Copyright © 2013 Elsevier B.V. All rights reserved.

NLOphoric and solid state emissive BODIPY dyes containing N-phenylcarbazole core at meso position – Synthesis, photophysical properties of and DFT studies

Energy Technology Data Exchange (ETDEWEB)

Telore, Rahul D.; Jadhav, Amol G.; Sekar, Nagaiyan, E-mail: n.sekar@ictmumbai.edu.in

2016-11-15

Two boron-dipyrromethene dyes with N-phenylcarbazole core at meso position were prepared and characterized. They show small Stokes shifts (15–20 nm), high molar extinction coefficient and high quantum yield. Their photophysical properties were compared with the known meso aryl, 4-aminophenyl, N,N-dimethylaniline and N-butylcarbzole boron-dipyrromethene dyes. The bulky nature of N-phenylcarbazole leads to an increase in molar absorptivity and quantum yield. The Catalan solvent parameters are found to be the suitable for defining the solvatochromic absorption and emission properties. Confocal laser scanning microscopy showed solid-state fluorescence. Density Functional Theory is used to determine the static first hyperpolarizability (β{sub ο}) and its components (μ, α{sub 0}, Δα, and γ) using B3LYP/6-31G(d) at ground state and excited state in different polarity solvent. The geometries of the dyes were optimized by using B3LYP/6-31G(d) and their electronic excitation properties were estimated using time dependent density functional theory.

A comparison between two powder compaction parameters of plasticity: the effective medium A parameter and the Heckel 1/K parameter.

Science.gov (United States)

Mahmoodi, Foad; Klevan, Ingvild; Nordström, Josefina; Alderborn, Göran; Frenning, Göran

2013-09-10

The purpose of the research was to introduce a procedure to derive a powder compression parameter (EM A) representing particle yield stress using an effective medium equation and to compare the EM A parameter with the Heckel compression parameter (1/K). 16 pharmaceutical powders, including drugs and excipients, were compressed in a materials testing instrument and powder compression profiles were derived using the EM and Heckel equations. The compression profiles thus obtained could be sub-divided into regions among which one region was approximately linear and from this region, the compression parameters EM A and 1/K were calculated. A linear relationship between the EM A parameter and the 1/K parameter was obtained with a strong correlation. The slope of the plot was close to 1 (0.84) and the intercept of the plot was small in comparison to the range of parameter values obtained. The relationship between the theoretical EM A parameter and the 1/K parameter supports the interpretation of the empirical Heckel parameter as being a measure of yield stress. It is concluded that the combination of Heckel and EM equations represents a suitable procedure to derive a value of particle plasticity from powder compression data. Copyright © 2013 Elsevier B.V. All rights reserved.

DOE ZERH Case Study: BPC Green Builders, Taft School, Watertown, CT

Energy Technology Data Exchange (ETDEWEB)

none,

2015-09-01

Case study of a DOE 2015 Housing Innovation Award winning custom home in the cold climate that got a HERS 33 without PV or HERS -14 with PV, with 8.5” double 2x4 walls with 8.5” (R-32) blown cellulose plus R-6 rigid foam, basement with 3” ccsf on interior plus 2x4 stud walls with R-13 blown cellulose, with R-20 around slab, R-38 under slab; a vented attic with R-100 blown cellulose; a central heat pump; HRV; heat pump water heater; 100% LED; and Passive House Institute U.S.+, LEED platinum, and Living Building Challenge certifications.

Theoretical Study on Vibrational Spectra, Detonation Properties and Pyrolysis Mechanism for Cyclic 2-Diazo-4,6-dinitrophenol

Science.gov (United States)

Li, Xiao-hong; Yin, Geng-xin; Zhang, Xian-zhou

2012-10-01

Based on the full optimized molecular geometrical structures at the DFT-B3LYP/6-311+G** level, there exists intramolecular hydrogen bond interaction for cyclic 2-diazo-4,6-dinitrophenol. The assigned infrared spectrum is obtained and used to compute the thermodynamic properties. The results show that there are four main characteristic regions in the calculated IR spectra of the title compound. The detonation velocities and pressures are also evaluated by using Kamlet-Jacobs equations based on the calculated density and condensed phase heat of formation. Thermal stability and the pyrolysis mechanism of 2-diazo-4,6-dinitrophenol are investigated by calculating the bond dissociation energies at the B3LYP/6-311+G** level.

Statistical MOSFET Parameter Extraction with Parameter Selection for Minimal Point Measurement

Directory of Open Access Journals (Sweden)

Marga Alisjahbana

2013-11-01

Full Text Available A method to statistically extract MOSFET model parameters from a minimal number of transistor I(V characteristic curve measurements, taken during fabrication process monitoring. It includes a sensitivity analysis of the model, test/measurement point selection, and a parameter extraction experiment on the process data. The actual extraction is based on a linear error model, the sensitivity of the MOSFET model with respect to the parameters, and Newton-Raphson iterations. Simulated results showed good accuracy of parameter extraction and I(V curve fit for parameter deviations of up 20% from nominal values, including for a process shift of 10% from nominal.

AFL-1: A programming Language for Massively Concurrent Computers.

Science.gov (United States)

1986-11-01

grateful to Phil Agre and Dave Waltz for many helpful comments and much encouragement. Phil introduced me to the Connection Machine and helped guide much...of this research. I thank Dave Chapman, Tom Knight, John Taft and Dan Weld for looking over various parts of the thesis. Alan Bawden, Jerry Roylance... Zielinski , J.E., Miller, F.D., Copp, D.H., "ACE: an Expert System for Telephone Cable Maintenance", Proc. IJCAI, August 1983, Karlsruhe W. Germany, 116-121

Synchronous fluorescence spectroscopic study of solvatochromic curcumin dye

Science.gov (United States)

Patra, Digambara; Barakat, Christelle

2011-09-01

Curcumin, the main yellow bioactive component of turmeric, has recently acquired attention by chemists due its wide range of potential biological applications as an antioxidant, an anti-inflammatory, and an anti-carcinogenic agent. This molecule fluoresces weakly and poorly soluble in water. In this detailed study of curcumin in thirteen different solvents, both the absorption and fluorescence spectra of curcumin was found to be broad, however, a narrower and simple synchronous fluorescence spectrum of curcumin was obtained at Δ λ = 10-20 nm. Lippert-Mataga plot of curcumin in different solvents illustrated two sets of linearity which is consistent with the plot of Stokes' shift vs. the ET30. When Stokes's shift in wavenumber scale was replaced by synchronous fluorescence maximum in nanometer scale, the solvent polarity dependency measured by λSFSmax vs. Lippert-Mataga plot or ET30 values offered similar trends as measured via Stokes' shift for protic and aprotic solvents for curcumin. Better linear correlation of λSFSmax vs. π* scale of solvent polarity was found compared to λabsmax or λemmax or Stokes' shift measurements. In Stokes' shift measurement both absorption/excitation as well as emission (fluorescence) spectra are required to compute the Stokes' shift in wavenumber scale, but measurement could be done in a very fast and simple way by taking a single scan of SFS avoiding calculation and obtain information about polarity of the solvent. Curcumin decay properties in all the solvents could be fitted well to a double-exponential decay function.

New comparison of psychological meaning of colors in samples and objects with semantic ratings

Science.gov (United States)

Lee, Tien-Rein

2002-06-01

In color preference and color-meaning research, color chips are widely used as stimuli. Are meanings of isolated color chips generalizeable to contextualized colors? According to Taft (1996), few significant differences exist between chip and object ratings for the same color. A similar survey was performed on 192 college students. This article reports the results of the study comparing semantic rating of color applied to a variety of familiar objects. The objects were a cup, T-shirt, sofa, car, notebook, and MP3 player, all images that represent daily life familiar objects. Subjects rated a set of 16 color chips, against 6 bipolar, 7-step semantic differential scales. The scales consisted of beautiful-ugly, soft-hard, warm-cool, elegant-vulgar, loud- discreet, and masculine-feminine. Analyses performed on the data indicated that unlike Taft's findings on 1996, significant differences existed between chip and object rating for the same color in every scale. The results of the study have implications for the use of color chips in color planning which suggest they are not compatible with the generality of results of the earlier color meaning research. Generally, a color judged to be beautiful, elegant and warm when presented as a chip does not equal beautiful, elegant, and warm when applied to the surface of an object such as a cup, T-shirt, sofa, car.

Operative treatment of acromioclavicular joint dislocation: a new technique with suture anchors

Directory of Open Access Journals (Sweden)

Zhang Jingwei

2014-07-01

Full Text Available 【Abstract】Objective: To evaluate clinical outcome of suture anchors in strengthening both acromioclavicular and coracoclavicular ligaments in the surgical treatment of acromioclavicular joint dislocation. Methods: Twenty-eight patients with acute traumatic Rockwood III, IV and V dislocations of the acromioclavicular joint surgically treated at our institute between October 2010 and January 2012 were recruited. All patients underwent open reduction combined with suture anchors. Function was evaluated using the ConstantMurley shoulder score. Clinical and radiographic shoulder ratings were evaluated using Taft criteria at 3, 6 and 12 months. Results:Two cases with fixation loosening were not included in final statistical analysis. Other patients obtained full joint reposition on immediate postoperative radiographs. Follow-up was performed with an average of 15.6 months (range, 12-19. After early range of motion exercises, 96.2% of the patients (25/26 could abduct and elevate their shoulders more than 90 degrees within postoperative 3 months. There was no infection. Average Constant-Murley score was 96.3 points (range, 94-100 and mean Taft shoulder rating was 10.7 points (range, 8-12 at 12 months. Conclusion: The suture anchor is a relatively simple technique and can avoid screw removal which is helpful in reconstructing both acromioclavicular and coracoclavicular ligaments in acute traumatic acromioclavicular joint dislocation. Key words: Acromioclavicular joint; Dislocations; Surgery; Suture anchors

Order of multiphoton excitation of sulfonium photo-acid generators used in photoresists based on SU-8

Science.gov (United States)

Williams, Henry E.; Diaz, Carlos; Padilla, Gabriel; Hernandez, Florencio E.; Kuebler, Stephen M.

2017-06-01

Multiphoton lithography (MPL), Z-scan spectroscopy, and quantum chemical calculations were employed to investigate the order of multiphoton excitation that occurs when femtosecond laser pulses are used to excite two sulfonium photo-acid generators (PAGs) commonly used in photoresists based on the cross-linkable epoxide SU-8. The mole-fractions of the mono- and bis-sulfonium forms of these PAGs were determined for the commercially available photoresist SU-8 2075 and for the PAGs alone from a separate source. Both were found to contain similar fractions of the mono- and bis-forms, with the mono form present in the majority. Reichert's method was used to determine the solvatochromic strength of the SU-8 matrix, so that results obtained for the PAGs in SU-8 and in solution could be reliably compared. The PAGs were found to exhibit a minimal solvatochromic shift for a series of solvents that span across the solvatochromic strength of SU-8 itself. Sub-micron-sized features were fabricated in SU-8 2075 by MPL using amplified and continuous-wave mode-locked laser pulses. Analysis of the features as a function of average laser power, scan speed, and excitation wavelength shows that the PAGs can be activated by both two- and three-photon absorption (2PA and 3PA). Which activation mode dominates depends principally upon the excitation wavelength because the average laser powers that can be used with the photoresist are limited by practical considerations. The power must be high enough to effect sufficient cross-linking, yet not so high as to exceed the damage threshold of the material. When the laser pulses have a duration on the order of 100 fs, 3PA dominates at wavelengths near 800 nm, whereas 2PA becomes dominant at wavelengths below 700 nm. These findings are corroborated by open-aperture Z-scan measurements and quantum chemical calculations of the cross-sections for 2PA and 3PA as a function of wavelength.

Safeguards systems parameters

International Nuclear Information System (INIS)

Avenhaus, R.; Heil, J.

1979-01-01

In this paper analyses are made of the values of those parameters that characterize the present safeguards system that is applied to a national fuel cycle; those values have to be fixed quantitatively so that all actions of the safeguards authority are specified precisely. The analysis starts by introducing three categories of quantities: The design parameters (number of MBAs, inventory frequency, variance of MUF, verification effort and false-alarm probability) describe those quantities whose values have to be specified before the safeguards system can be implemented. The performance criteria (probability of detection, expected detection time, goal quantity) measure the effectiveness of a safeguards system; and the standards (threshold amount and critical time) characterize the magnitude of the proliferation problem. The means by which the values of the individual design parameters can be determined with the help of the performance criteria; which qualitative arguments can narrow down the arbitrariness of the choice of values of the remaining parameters; and which parameter values have to be fixed more or less arbitrarily, are investigated. As a result of these considerations, which include the optimal allocation of a given inspection effort, the problem of analysing the structure of the safeguards system is reduced to an evaluation of the interplay of only a few parameters, essentially the quality of the measurement system (variance of MUF), verification effort, false-alarm probability, goal quantity and probability of detection

Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.

Science.gov (United States)

Höfener, Sebastian; Trumm, Michael; Koke, Carsten; Heuser, Johannes; Ekström, Ulf; Skerencak-Frech, Andrej; Schimmelpfennig, Bernd; Panak, Petra J

2016-03-21

We report a combined computational and experimental study to investigate the UV/vis spectra of 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridine (BTP) ligands in solution. In order to study molecules in solution using theoretical methods, force-field parameters for the ligand-water interaction are adjusted to ab initio quantum chemical calculations. Based on these parameters, molecular dynamics (MD) simulations are carried out from which snapshots are extracted as input to quantum chemical excitation-energy calculations to obtain UV/vis spectra of BTP ligands in solution using time-dependent density functional theory (TDDFT) employing the Tamm-Dancoff approximation (TDA). The range-separated CAM-B3LYP functional is used to avoid large errors for charge-transfer states occurring in the electronic spectra. In order to study environment effects with theoretical methods, the frozen-density embedding scheme is applied. This computational procedure allows to obtain electronic spectra calculated at the (range-separated) DFT level of theory in solution, revealing solvatochromic shifts upon solvation of up to about 0.6 eV. Comparison to experimental data shows a significantly improved agreement compared to vacuum calculations and enables the analysis of relevant excitations for the line shape in solution.

Generating three-parameter sensor

Directory of Open Access Journals (Sweden)

Filinyuk M. A.

2014-08-01

Full Text Available Generating sensors provide the possibility of getting remote information and its easy conversion into digital form. Typically, these are one-parameter sensors formed by combination of a primary transmitter (PT and a sine wave generator. Two-parameter sensors are not widely used as their implementation causes a problem with ambiguity output when measuring the PT. Nevertheless, the problem of creating miniature, thrifty multi-parameter RF sensors for different branches of science and industry remains relevant. Considering ways of designing RF sensors, we study the possibility of constructing a three-parameter microwave radio frequency range sensor, which is based on a two-stage three-parameter generalized immitance convertor (GIC. Resistive, inductive and capacitive PT are used as sensing elements. A mathematical model of the sensor, which describes the relation of the sensor parameters to the parameters of GIC and PT was developed. The basic parameters of the sensor, its transfer function and sensitivity were studied. It is shown that the maximum value of the power generated signal will be observed at a frequency of 175 MHz, and the frequency ranges depending on the parameters of the PT will be different. Research results and adequacy of the mathematical model were verified by the experiment. Error of the calculated dependences of the lasing frequency on PT parameters change, compared with the experimental data does not exceed 2 %. The relative sensitivity of the sensor based on two-stage GIC showed that for the resistive channel it is about 1.88, for the capacitive channel –1,54 and for the inductive channel –11,5. Thus, it becomes possible to increase the sensor sensitivity compared with the sensitivity of the PT almost 1,2—2 times, and by using the two stage GIC a multifunctional sensor is provided.

Cosmological Parameters 2000

OpenAIRE

Primack, Joel R.

2000-01-01

The cosmological parameters that I emphasize are the age of the universe $t_0$, the Hubble parameter $H_0 \\equiv 100 h$ km s$^{-1}$ Mpc$^{-1}$, the average matter density $\\Omega_m$, the baryonic matter density $\\Omega_b$, the neutrino density $\\Omega_\

Correlations among Stress Parameters, Meat and Carcass Quality Parameters in Pigs

Science.gov (United States)

Dokmanovic, Marija; Baltic, Milan Z.; Duric, Jelena; Ivanovic, Jelena; Popovic, Ljuba; Todorovic, Milica; Markovic, Radmila; Pantic, Srdan

2015-01-01

Relationships among different stress parameters (lairage time and blood level of lactate and cortisol), meat quality parameters (initial and ultimate pH value, temperature, drip loss, sensory and instrumental colour, marbling) and carcass quality parameters (degree of rigor mortis and skin damages, hot carcass weight, carcass fat thickness, meatiness) were determined in pigs (n = 100) using Pearson correlations. After longer lairage, blood lactate (prigor mortis (p<0.05), suggesting that lactate could be a predictor of both meat quality and the level of preslaughter stress. Cortisol affected carcass quality, so higher levels of cortisol were associated with increased hot carcass weight, carcass fat thickness on the back and at the sacrum and marbling, but also with decreased meatiness. The most important meat quality parameters (pH and temperature after 60 minutes) deteriorated when blood lactate concentration was above 12 mmol/L. PMID:25656214

Bomb parameters

International Nuclear Information System (INIS)

Kerr, George D.; Young, Rebert W.; Cullings, Harry M.; Christry, Robert F.

2005-01-01

The reconstruction of neutron and gamma-ray doses at Hiroshima and Nagasaki begins with a determination of the parameters describing the explosion. The calculations of the air transported radiation fields and survivor doses from the Hiroshima and Nagasaki bombs require knowledge of a variety of parameters related to the explosions. These various parameters include the heading of the bomber when the bomb was released, the epicenters of the explosions, the bomb yields, and the tilt of the bombs at time of explosion. The epicenter of a bomb is the explosion point in air that is specified in terms of a burst height and a hypocenter (or the point on the ground directly below the epicenter of the explosion). The current reassessment refines the energy yield and burst height for the Hiroshima bomb, as well as the locations of the Hiroshima and Nagasaki hypocenters on the modern city maps used in the analysis of the activation data for neutrons and TLD data for gamma rays. (J.P.N.)

Magnetic S-parameter

DEFF Research Database (Denmark)

Sannino, Francesco

2010-01-01

We propose a direct test of the existence of gauge duals for nonsupersymmetric asymptotically free gauge theories developing an infrared fixed point by computing the S-parameter in the electric and dual magnetic description. In particular we show that at the lower bound of the conformal window...... the magnetic S-parameter, i.e. the one determined via the dual magnetic gauge theory, assumes a simple expression in terms of the elementary magnetic degrees of freedom. The results further support our recent conjecture of the existence of a universal lower bound on the S parameter and indicates...

Evacuation Behavior: Case Study of the Taft Louisiana Chemical Tank Explosion Incident.

Science.gov (United States)

1983-05-01

bedridden elderly evacuees. The weather was cool to cold on Saturday so both children and adults remained indoors. To combat boredom, a film was shown in...adults, and 10 percent were elderly adults (however, one nuclear plant evacuation document estimates that there are approximately 5,000 persons 60 years...by the transportation officer, but a pattern was followed. People living in neighborhoods known to contain the poor and/or elderly were serviced first

Disorder parameter of confinement

International Nuclear Information System (INIS)

Nakamura, N.; Ejiri, S.; Matsubara, Y.; Suzuki, T.

1996-01-01

The disorder parameter of confinement-deconfinement phase transition based on the monopole action determined previously in SU(2) QCD are investigated. We construct an operator which corresponds to the order parameter defined in the abelian Higgs model. The operator shows proper behaviors as the disorder parameter in the numerical simulations of finite temperature QCD. (orig.)

Triphenylamine Derived 3-Acetyl and 3-Benzothiazolyl Bis and Tris Coumarins: Synthesis, Photophysical and DFT Assisted Hyperpolarizability Study

Science.gov (United States)

Erande, Yogesh; Kothavale, Shantaram; Sreenath, Mavila C.; Chitrambalam, Subramaniyan; Joe, Isaac H.; Sekar, Nagaiyan

2018-02-01

Triphenylamine derived bis- and tris-branched donor-pi-acceptor coumarins with acetyl and benzothiazolyl acceptors are studied for their linear and nonlinear optical properties that originate from their photophysical and molecular structure. Plots of solvent polarities versus the Stokes shift, frontier molecular orbital analysis and Generalised Mulliken Hush analysis have established their strong charge transfer character supported by the strong emission solvatochromism of these chromophores. On the basis of excited state intramolecular charge transfer, the first-, second- and third-order polarizability of these dyes are determined by a solvatochromic method and supported by density functional theory calculations using CAM-B3LYP/6-31g(d). Compared to the acetyl group, the benzothiazolyl group is a strong acceptor, and its corresponding derivatives show enhanced absorption, emission maxima and non-linear optical response. Bond length alternation and bond order alternation analysis reveals that these chromophores approach the cyanine-like framework which is responsible for maximum perturbation to produce high nonlinear optical response. Third order nonlinear susceptibility for dyes 1 and 2 is determined by Z-scan measurement. All of these methods are used to determine the nonlinear optical properties, and thermogravimetric analysis suggests that these chromophores are thermally robust and efficient nonlinear optical materials.

Adsorption of poly(vinyl formamide-co-vinyl amine) (PVFA-co-PVAm) polymers on zinc, zinc oxide, iron, and iron oxide surfaces.

Science.gov (United States)

Seifert, Susan; Simon, Frank; Baumann, Giesela; Hietschold, Michael; Seifert, Andreas; Spange, Stefan

2011-12-06

The adsorption of poly(vinyl formamide) (PVFA) and the statistic copolymers poly(vinyl formamide-co-vinyl amine) (PVFA-co-PVAm) onto zinc and iron metal particles as well as their oxides was investigated. The adsorbates were characterized by means of XPS, DRIFT spectroscopy, wet chemical analysis, and solvatochromic probes. Dicyano-bis-(1,10-phenanthroline)-iron(II) (1), 3-(4-amino-3-methylphenyl)-7-phenyl-benzo-[1,2-b:4,5-b']difuran-2,6-dione (2), and 4-tert-butyl-2-(dicyano-methylene)-5-[4-(diethylamino)-benzylidene]-Δ(3)-thiazoline (3) as solvatochromic probes were coadsorbed onto zinc oxide to measure various effects of surface polarity. The experimental findings showed that the adsorption mechanism of PVFA and PVFA-co-PVAm strongly depends on the degree of hydrolysis of PVFA and pH values and also on the kind of metal or metal oxide surfaces that were employed as adsorbents. The adsorption mechanism of PVFA/PVFA-co-PVAm onto zinc oxide and iron oxide surfaces is mainly affected by electrostatic interactions. Particularly in the region of pH 5, the adsorption of PVFA/PVFA-co-PVAm onto zinc and iron metal particles is additionally influenced by redox processes, dissolution, and complexation reactions. © 2011 American Chemical Society

Uncertainty analysis of flexible rotors considering fuzzy parameters and fuzzy-random parameters

Directory of Open Access Journals (Sweden)

Fabian Andres Lara-Molina

Full Text Available Abstract The components of flexible rotors are subjected to uncertainties. The main sources of uncertainties include the variation of mechanical properties. This contribution aims at analyzing the dynamics of flexible rotors under uncertain parameters modeled as fuzzy and fuzzy random variables. The uncertainty analysis encompasses the modeling of uncertain parameters and the numerical simulation of the corresponding flexible rotor model by using an approach based on fuzzy dynamic analysis. The numerical simulation is accomplished by mapping the fuzzy parameters of the deterministic flexible rotor model. Thereby, the flexible rotor is modeled by using both the Fuzzy Finite Element Method and the Fuzzy Stochastic Finite Element Method. Numerical simulations illustrate the methodology conveyed in terms of orbits and frequency response functions subject to uncertain parameters.

Modelling the Preferential Solvation of Ferulic Acid in {2-Propanol (1 + Water (2} Mixtures at 298.15 K

Directory of Open Access Journals (Sweden)

Abolghasem Jouyban 1,2, Fleming Martínez 3 *

2017-12-01

Full Text Available Background: Recently Haq et al. reported the equilibrium solubility in {2-propanol (1 + water (2} mixtures at several temperatures with some numerical correlation analysis. Nevertheless, no attempt was made to evaluate the preferential solvation of this compound by the solvents. Methods: Preferential solvation of ferulic acid in the saturated mixtures at 298.15 K was analyzed based on the inverse Kirkwood-Buff integrals as described in the literature. Results: Ferulic acid is preferentially solvated by water in water-rich mixtures (0.00 < x1 < 0.19 but preferentially solvated by 2-propanol in mixtures with composition 0.19 < x1 < 1.00. Conclusion: These results could be interpreted as a consequence of hydrophobic hydration around the non-polar groups of the solute in the former case (0.00 < x1 < 0.19. Moreover, in the last case (0.19 < x1 < 1.00, the observed trend could be a consequence of the acid behavior of ferulic acid in front to 2-propanol molecules because this cosolvent is more basic than water as described by the respective solvatochromic parameters.

Linear solvation energy relationships: 36. Molecular properties governing solubilities of organic nonelectrolytes in water.

Science.gov (United States)

Kamlet, M J; Doherty, R M; Abboud, J L; Abraham, M H; Taft, R W

1986-04-01

Molar solubilities of non-hydrogen bond donor and weak hydrogen bond donor liquid aliphatic solutes in water, or the nearly equivalent quantities, Sg/Kgw, where Kgw is the gas-water partition coefficient and Sg is the solute concentration in the solute saturated vapor (Sg = Patm/24.5) are well correlated by the equation: log Sw congruent to log (Sg/Kgw) = 0.54 - 3.32V/100 + 0.46 pi* + 5.17 (beta or beta m) (at 25 degrees C) n = 105, r = 0.9954, SD = 0.137 V is the solute molar volume (the molecular weight divided by the liquid density at 20 degrees C), and pi* and beta are the solvatochromic parameters that are measures of solute dipolarity-polarizability and hydrogen bond acceptor basicity. The equation, which applies to liquid monofunctional aliphatic solutes is used to calculate additional new beta and beta m values. The beta m values, which are intended to apply to self-associated compounds when acting as "monomer" solutes, are: methanol, 0.42; all primary alkanols, 0.45; all secondary alkanols, 0.51; and all tertiary alkanols, 0.57.

Correlations between skin hydration parameters and corneocyte-derived parameters to characterize skin conditions.

Science.gov (United States)

Masaki, Hitoshi; Yamashita, Yuki; Kyotani, Daiki; Honda, Tatsuya; Takano, Kenichi; Tamura, Toshiyasu; Mizutani, Taeko; Okano, Yuri

2018-03-30

Skin hydration is generally assessed using the parameters of skin surface water content (SWC) and trans-epidermal water loss (TEWL). To date, few studies have characterized skin conditions using correlations between skin hydration parameters and corneocyte parameters. The parameters SWC and TEWL allow the classification of skin conditions into four distinct Groups. The purpose of this study was to assess the characteristics of skin conditions classified by SWC and TEWL for correlations with parameters from corneocytes. A human volunteer test was conducted that measured SWC and TEWL. As corneocyte-derived parameters, the size and thick abrasion ratios, the ratio of sulfhydryl groups and disulfide bonds (SH/SS) and CP levels were analyzed. Volunteers were classified by their median SWC and TEWL values into 4 Groups: Group I (high SWC/low TEWL), Group II (high SWC/high TEWL), Group III (low SWC/low TEWL), and Group IV (low SWC/high TEWL). Group IV showed a significantly smaller size of corneocytes. Groups III and IV had significantly higher thick abrasion ratios and CP levels. Group I had a significantly lower SH/SS value. The SWC/TEWL value showed a decline in order from Group I to Group IV. Groups classified by their SWC and TEWL values showed characteristic skin conditions. We propose that the SWC and TEWL ratio is a comprehensive parameter to assess skin conditions. © 2018 Wiley Periodicals, Inc.

Cosmological Parameters and Hyper-Parameters: The Hubble Constant from Boomerang and Maxima

Science.gov (United States)

Lahav, Ofer

Recently several studies have jointly analysed data from different cosmological probes with the motivation of estimating cosmological parameters. Here we generalise this procedure to allow freedom in the relative weights of various probes. This is done by including in the joint likelihood function a set of `Hyper-Parameters', which are dealt with using Bayesian considerations. The resulting algorithm, which assumes uniform priors on the log of the Hyper-Parameters, is very simple to implement. We illustrate the method by estimating the Hubble constant H0 from different sets of recent CMB experiments (including Saskatoon, Python V, MSAM1, TOCO, Boomerang and Maxima). The approach can be generalised for a combination of cosmic probes, and for other priors on the Hyper-Parameters. Reference: Lahav, Bridle, Hobson, Lasenby & Sodre, 2000, MNRAS, in press (astro-ph/9912105)

Il’ich’s Native Land Today,

Science.gov (United States)

1982-09-28

riil t". r1*1e.re taft fat 2vv**,cvq 4 t"~ ~J1 of labor by 22 April 1970. for industrial enterprises to inerease the profit in 1970 in camparios with...two minuts another vehicle moves out to carry out the exerolte. The tank which was driven n the route by a third course student, Acosoal wsaer Turly...should we meet the great date with new successes in labor , but also with serious deeds in the communist upbringing of the youth. We are living in the

David Farber, The Rise and Fall of Modern American Conservatism: A Short History.

Directory of Open Access Journals (Sweden)

Giles Scott-Smith

2010-11-01

Full Text Available In the wake of the recent mid-term elections, this book makes interesting reading. David Farber's overall argument here, as emphasised by the title, is that conservatism as a recognisable political movement, ranging from Robert Taft in the 1930s through to George W. Bush in the 2000s, has entered a period of decline. This could be a strong dose of (academic, liberal wishful thinking, or, possibly, the author is on to something, but the American voter hasn’t realised it yet.The crucial point ...

Correlations among Stress Parameters, Meat and Carcass Quality Parameters in Pigs

Directory of Open Access Journals (Sweden)

Marija Dokmanovic

2015-03-01

Full Text Available Relationships among different stress parameters (lairage time and blood level of lactate and cortisol, meat quality parameters (initial and ultimate pH value, temperature, drip loss, sensory and instrumental colour, marbling and carcass quality parameters (degree of rigor mortis and skin damages, hot carcass weight, carcass fat thickness, meatiness were determined in pigs (n = 100 using Pearson correlations. After longer lairage, blood lactate (p<0.05 and degree of injuries (p<0.001 increased, meat became darker (p<0.001, while drip loss decreased (p<0.05. Higher lactate was associated with lower initial pH value (p<0.01, higher temperature (p<0.001 and skin blemishes score (p<0.05 and more developed rigor mortis (p<0.05, suggesting that lactate could be a predictor of both meat quality and the level of preslaughter stress. Cortisol affected carcass quality, so higher levels of cortisol were associated with increased hot carcass weight, carcass fat thickness on the back and at the sacrum and marbling, but also with decreased meatiness. The most important meat quality parameters (pH and temperature after 60 minutes deteriorated when blood lactate concentration was above 12 mmol/L.

Parameter identification of chaos system based on unknown parameter observer

International Nuclear Information System (INIS)

Wang Shaoming; Luo Haigeng; Yue Chaoyuan; Liao Xiaoxin

2008-01-01

Parameter identification of chaos system based on unknown parameter observer is discussed generally. Based on the work of Guan et al. [X.P. Guan, H.P. Peng, L.X. Li, et al., Acta Phys. Sinica 50 (2001) 26], the design of unknown parameter observer is improved. The application of the improved approach is extended greatly. The works in some literatures [X.P. Guan, H.P. Peng, L.X. Li, et al., Acta Phys. Sinica 50 (2001) 26; J.H. Lue, S.C. Zhang, Phys. Lett. A 286 (2001) 148; X.Q. Wu, J.A. Lu, Chaos Solitons Fractals 18 (2003) 721; J. Liu, S.H. Chen, J. Xie, Chaos Solitons Fractals 19 (2004) 533] are only the special cases of our Corollaries 1 and 2. Some observers for Lue system and a new chaos system are designed to test our improved method, and simulations results demonstrate the effectiveness and feasibility of the improved approach

Parameters of care for craniosynostosis

DEFF Research Database (Denmark)

McCarthy, Joseph G; Warren, Stephen M; Bernstein, Joseph

2012-01-01

A multidisciplinary meeting was held from March 4 to 6, 2010, in Atlanta, Georgia, entitled "Craniosynostosis: Developing Parameters for Diagnosis, Treatment, and Management." The goal of this meeting was to create parameters of care for individuals with craniosynostosis.......A multidisciplinary meeting was held from March 4 to 6, 2010, in Atlanta, Georgia, entitled "Craniosynostosis: Developing Parameters for Diagnosis, Treatment, and Management." The goal of this meeting was to create parameters of care for individuals with craniosynostosis....

Robust estimation of hydrological model parameters

Directory of Open Access Journals (Sweden)

A. Bárdossy

2008-11-01

Full Text Available The estimation of hydrological model parameters is a challenging task. With increasing capacity of computational power several complex optimization algorithms have emerged, but none of the algorithms gives a unique and very best parameter vector. The parameters of fitted hydrological models depend upon the input data. The quality of input data cannot be assured as there may be measurement errors for both input and state variables. In this study a methodology has been developed to find a set of robust parameter vectors for a hydrological model. To see the effect of observational error on parameters, stochastically generated synthetic measurement errors were applied to observed discharge and temperature data. With this modified data, the model was calibrated and the effect of measurement errors on parameters was analysed. It was found that the measurement errors have a significant effect on the best performing parameter vector. The erroneous data led to very different optimal parameter vectors. To overcome this problem and to find a set of robust parameter vectors, a geometrical approach based on Tukey's half space depth was used. The depth of the set of N randomly generated parameters was calculated with respect to the set with the best model performance (Nash-Sutclife efficiency was used for this study for each parameter vector. Based on the depth of parameter vectors, one can find a set of robust parameter vectors. The results show that the parameters chosen according to the above criteria have low sensitivity and perform well when transfered to a different time period. The method is demonstrated on the upper Neckar catchment in Germany. The conceptual HBV model was used for this study.

Influence of processing parameters on lattice parameters in laser deposited tool alloy steel

Energy Technology Data Exchange (ETDEWEB)

Sun, G.F., E-mail: gfsun82@gmail.com [Center for Laser-Aided Intelligent Manufacturing, University of Michigan, Ann Arbor, MI, 48109 (United States); School of Mechanical Engineering, Jiangsu University, Zhenjiang, Jiangsu, 212013 (China); Bhattacharya, S. [Center for Laser-Aided Intelligent Manufacturing, University of Michigan, Ann Arbor, MI, 48109 (United States); Dinda, G.P.; Dasgupta, A. [Center for Advanced Technologies, Focus: Hope, Detroit, MI, 48238 (United States); Mazumder, J. [Center for Laser-Aided Intelligent Manufacturing, University of Michigan, Ann Arbor, MI, 48109 (United States)

2011-06-15

Highlights: {yields} Orientation relationships among phases in the DMD are given. {yields} Martensite lattice parameters increased with laser specific energy. {yields} Austenite lattice parameters decreased with laser specific energy. - Abstract: Laser aided direct metal deposition (DMD) has been used to form AISI 4340 steel coating on the AISI 4140 steel substrate. The microstructural property of the DMD coating was analyzed by means of scanning electron microscopy, transmission electron microscopy and X-ray diffractometry. Microhardness of the DMD was measured with a Vickers microhardness tester. Results indicate that DMD can be used to form dense AISI 4340 steel coatings on AISI 4140 steel substrate. The DMD coating is mainly composed of martensite and retained austenite. Consecutive thermal cycles have a remarkable effect on the microstructure of the plan view of the DMD coating and on the corresponding microhardness distribution. Orientation relationships among austenite, martensite and cementite in the DMD coating followed the ones in conventional heat treated steels. As the laser specific energy decreased, cooling rate increased, and martensite peaks broadened and shifted to a lower Bragg's angle. Also martensite lattice parameters increased and austenite lattice parameters decreased due to the above parameter change.

Influence of processing parameters on lattice parameters in laser deposited tool alloy steel

International Nuclear Information System (INIS)

Sun, G.F.; Bhattacharya, S.; Dinda, G.P.; Dasgupta, A.; Mazumder, J.

2011-01-01

Highlights: → Orientation relationships among phases in the DMD are given. → Martensite lattice parameters increased with laser specific energy. → Austenite lattice parameters decreased with laser specific energy. - Abstract: Laser aided direct metal deposition (DMD) has been used to form AISI 4340 steel coating on the AISI 4140 steel substrate. The microstructural property of the DMD coating was analyzed by means of scanning electron microscopy, transmission electron microscopy and X-ray diffractometry. Microhardness of the DMD was measured with a Vickers microhardness tester. Results indicate that DMD can be used to form dense AISI 4340 steel coatings on AISI 4140 steel substrate. The DMD coating is mainly composed of martensite and retained austenite. Consecutive thermal cycles have a remarkable effect on the microstructure of the plan view of the DMD coating and on the corresponding microhardness distribution. Orientation relationships among austenite, martensite and cementite in the DMD coating followed the ones in conventional heat treated steels. As the laser specific energy decreased, cooling rate increased, and martensite peaks broadened and shifted to a lower Bragg's angle. Also martensite lattice parameters increased and austenite lattice parameters decreased due to the above parameter change.

Summary of the DREAM8 Parameter Estimation Challenge: Toward Parameter Identification for Whole-Cell Models.

Directory of Open Access Journals (Sweden)

Jonathan R Karr

2015-05-01

Full Text Available Whole-cell models that explicitly represent all cellular components at the molecular level have the potential to predict phenotype from genotype. However, even for simple bacteria, whole-cell models will contain thousands of parameters, many of which are poorly characterized or unknown. New algorithms are needed to estimate these parameters and enable researchers to build increasingly comprehensive models. We organized the Dialogue for Reverse Engineering Assessments and Methods (DREAM 8 Whole-Cell Parameter Estimation Challenge to develop new parameter estimation algorithms for whole-cell models. We asked participants to identify a subset of parameters of a whole-cell model given the model's structure and in silico "experimental" data. Here we describe the challenge, the best performing methods, and new insights into the identifiability of whole-cell models. We also describe several valuable lessons we learned toward improving future challenges. Going forward, we believe that collaborative efforts supported by inexpensive cloud computing have the potential to solve whole-cell model parameter estimation.

Comparison of Parameter Identification Techniques

Directory of Open Access Journals (Sweden)

Eder Rafael

2016-01-01

Full Text Available Model-based control of mechatronic systems requires excellent knowledge about the physical behavior of each component. For several types of components of a system, e.g. mechanical or electrical ones, the dynamic behavior can be described by means of a mathematic model consisting of a set of differential equations, difference equations and/or algebraic constraint equations. The knowledge of a realistic mathematic model and its parameter values is essential to represent the behaviour of a mechatronic system. Frequently it is hard or impossible to obtain all required values of the model parameters from the producer, so an appropriate parameter estimation technique is required to compute missing parameters. A manifold of parameter identification techniques can be found in the literature, but their suitability depends on the mathematic model. Previous work dealt with the automatic assembly of mathematical models of serial and parallel robots with drives and controllers within the dynamic multibody simulation code HOTINT as fully-fledged mechatronic simulation. Several parameters of such robot models were identified successfully by our embedded algorithm. The present work proposes an improved version of the identification algorithm with higher performance. The quality of the identified parameter values and the computation effort are compared with another standard technique.

Reduction of robot base parameters

International Nuclear Information System (INIS)

Vandanjon, P.O.

1995-01-01

This paper is a new step in the search of minimum dynamic parameters of robots. In spite of planing exciting trajectories and using base parameters, some parameters remain not identifiable due to the perturbation effects. In this paper, we propose methods to reduce the set of base parameters in order to get an essential set of parameters. This new set defines a simplified identification model witch improves the noise immunity of the estimation process. It contributes also in reducing the computation burden of a simplified dynamic model. Different methods are proposed and are classified in two parts: methods, witch perform reduction and identification together, come from statistical field and methods, witch reduces the model before the identification thanks to a priori information, come from numerical field like the QR factorization. Statistical tools and QR reduction are shown to be efficient and adapted to determine the essential parameters. They can be applied to open-loop, or graph structured rigid robot, as well as flexible-link robot. Application for the PUMA 560 robot is given. (authors). 9 refs., 4 tabs

Reduction of robot base parameters

Energy Technology Data Exchange (ETDEWEB)

Vandanjon, P O [CEA Centre d` Etudes de Saclay, 91 - Gif-sur-Yvette (France). Dept. des Procedes et Systemes Avances; Gautier, M [Nantes Univ., 44 (France)

1996-12-31

This paper is a new step in the search of minimum dynamic parameters of robots. In spite of planing exciting trajectories and using base parameters, some parameters remain not identifiable due to the perturbation effects. In this paper, we propose methods to reduce the set of base parameters in order to get an essential set of parameters. This new set defines a simplified identification model witch improves the noise immunity of the estimation process. It contributes also in reducing the computation burden of a simplified dynamic model. Different methods are proposed and are classified in two parts: methods, witch perform reduction and identification together, come from statistical field and methods, witch reduces the model before the identification thanks to a priori information, come from numerical field like the QR factorization. Statistical tools and QR reduction are shown to be efficient and adapted to determine the essential parameters. They can be applied to open-loop, or graph structured rigid robot, as well as flexible-link robot. Application for the PUMA 560 robot is given. (authors). 9 refs., 4 tabs.

Applied parameter estimation for chemical engineers

CERN Document Server

Englezos, Peter

2000-01-01

Formulation of the parameter estimation problem; computation of parameters in linear models-linear regression; Gauss-Newton method for algebraic models; other nonlinear regression methods for algebraic models; Gauss-Newton method for ordinary differential equation (ODE) models; shortcut estimation methods for ODE models; practical guidelines for algorithm implementation; constrained parameter estimation; Gauss-Newton method for partial differential equation (PDE) models; statistical inferences; design of experiments; recursive parameter estimation; parameter estimation in nonlinear thermodynam

A Generic Approach to Parameter Control

NARCIS (Netherlands)

Karafotias, G.; Smit, S.K.; Eiben, A.E.

2012-01-01

On-line control of EA parameters is an approach to parameter setting that offers the advantage of values changing during the run. In this paper, we investigate parameter control from a generic and parameter-independent perspective. We propose a generic control mechanism that is targeted to

Approaches to automatic parameter fitting in a microscopy image segmentation pipeline: An exploratory parameter space analysis.

Science.gov (United States)

Held, Christian; Nattkemper, Tim; Palmisano, Ralf; Wittenberg, Thomas

2013-01-01

Research and diagnosis in medicine and biology often require the assessment of a large amount of microscopy image data. Although on the one hand, digital pathology and new bioimaging technologies find their way into clinical practice and pharmaceutical research, some general methodological issues in automated image analysis are still open. In this study, we address the problem of fitting the parameters in a microscopy image segmentation pipeline. We propose to fit the parameters of the pipeline's modules with optimization algorithms, such as, genetic algorithms or coordinate descents, and show how visual exploration of the parameter space can help to identify sub-optimal parameter settings that need to be avoided. This is of significant help in the design of our automatic parameter fitting framework, which enables us to tune the pipeline for large sets of micrographs. The underlying parameter spaces pose a challenge for manual as well as automated parameter optimization, as the parameter spaces can show several local performance maxima. Hence, optimization strategies that are not able to jump out of local performance maxima, like the hill climbing algorithm, often result in a local maximum.

Approaches to automatic parameter fitting in a microscopy image segmentation pipeline: An exploratory parameter space analysis

Directory of Open Access Journals (Sweden)

Christian Held

2013-01-01

Full Text Available Introduction: Research and diagnosis in medicine and biology often require the assessment of a large amount of microscopy image data. Although on the one hand, digital pathology and new bioimaging technologies find their way into clinical practice and pharmaceutical research, some general methodological issues in automated image analysis are still open. Methods: In this study, we address the problem of fitting the parameters in a microscopy image segmentation pipeline. We propose to fit the parameters of the pipeline′s modules with optimization algorithms, such as, genetic algorithms or coordinate descents, and show how visual exploration of the parameter space can help to identify sub-optimal parameter settings that need to be avoided. Results: This is of significant help in the design of our automatic parameter fitting framework, which enables us to tune the pipeline for large sets of micrographs. Conclusion: The underlying parameter spaces pose a challenge for manual as well as automated parameter optimization, as the parameter spaces can show several local performance maxima. Hence, optimization strategies that are not able to jump out of local performance maxima, like the hill climbing algorithm, often result in a local maximum.

The parameter spreadsheets and their applications

International Nuclear Information System (INIS)

Schwitters, R.; Chao, A.; Chou, W.; Peterson, J.

1993-01-01

This paper is to announce that a set of parameter spreadsheets, using the Microsoft EXCEL software, has been developed for the SSC (and also for the LHC). In this program, the input (or control) parameters and the derived parameters are linked by equations that express the accelerator physics involved. A subgroup of parameters that are considered critical, or possible bottlenecks, has been highlighted under the category of open-quotes Flagsclose quotes. Given certain performance goals, one can use this program to open-quotes tuneclose quotes the input parameters in such a way that the flagged parameters do not exceed their acceptable range. During the past years, this program has been employed for the following purposes: (a) To guide the machine designs for various operation scenarios, (b) To generate a parameter list that is self-consistent and, (c) To study the impact of some proposed parameter changes (e.g., different choices of the rf frequency and bunch spacing)

Identifyability measures to select the parameters to be estimated in a solid-state fermentation distributed parameter model.

Science.gov (United States)

da Silveira, Christian L; Mazutti, Marcio A; Salau, Nina P G

2016-07-08

Process modeling can lead to of advantages such as helping in process control, reducing process costs and product quality improvement. This work proposes a solid-state fermentation distributed parameter model composed by seven differential equations with seventeen parameters to represent the process. Also, parameters estimation with a parameters identifyability analysis (PIA) is performed to build an accurate model with optimum parameters. Statistical tests were made to verify the model accuracy with the estimated parameters considering different assumptions. The results have shown that the model assuming substrate inhibition better represents the process. It was also shown that eight from the seventeen original model parameters were nonidentifiable and better results were obtained with the removal of these parameters from the estimation procedure. Therefore, PIA can be useful to estimation procedure, since it may reduce the number of parameters that can be evaluated. Further, PIA improved the model results, showing to be an important procedure to be taken. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:905-917, 2016. © 2016 American Institute of Chemical Engineers.

Selection and verification of safety parameters in safety parameter display system for nuclear power plants

International Nuclear Information System (INIS)

Zhang Yuangfang

1992-02-01

The method and results for safety parameter selection and its verification in safety parameter display system of nuclear power plants are introduced. According to safety analysis, the overall safety is divided into six critical safety functions, and a certain amount of safety parameters which can represent the integrity degree of each function and the causes of change are strictly selected. The verification of safety parameter selection is carried out from the view of applying the plant emergency procedures and in the accident man oeuvres on a full scale nuclear power plant simulator

GPS User Devices Parameter Control Methods

OpenAIRE

Klūga, A; Kuļikovs, M; Beļinska, V; Zeļenkovs, A

2007-01-01

In our day’s wide assortment of GPS user devices is manufacture. How to verify that parameters of the real device corresponds to parameters that manufacture shows. How to verify that parameters have not been changed during the operation time. The last one is very important for aviation GPS systems, which must be verified before the flight, but the values of parameter in time of repair works. This work analyses GPS user devices parameters control methods.

Systematic of delayed neutron parameters

International Nuclear Information System (INIS)

Isaev, S.G.; Piksaikin, V.M.

2000-01-01

The experimental studies of the energy dependence of the delayed neutron (DN) parameters for various fission systems has shown that the behaviour of a some combination of delayed neutron parameters has a similar features. On the basis of this findings the systematics of delayed neutron experimental data for thorium, uranium, plutonium and americium isotopes have been investigated with the purpose to find a correlation of DN parameters with characteristics of fissioning system as well as a correlation between the delayed neutron parameters themselves. It was presented the preliminary results which were obtained during study the physics interpretation of the results [ru

On the Consistency of Bootstrap Testing for a Parameter on the Boundary of the Parameter Space

DEFF Research Database (Denmark)

Cavaliere, Giuseppe; Nielsen, Heino Bohn; Rahbek, Anders

2017-01-01

It is well known that with a parameter on the boundary of the parameter space, such as in the classic cases of testing for a zero location parameter or no autoregressive conditional heteroskedasticity (ARCH) effects, the classic nonparametric bootstrap – based on unrestricted parameter estimates...... – leads to inconsistent testing. In contrast, we show here that for the two aforementioned cases, a nonparametric bootstrap test based on parameter estimates obtained under the null – referred to as ‘restricted bootstrap’ – is indeed consistent. While the restricted bootstrap is simple to implement...... in practice, novel theoretical arguments are required in order to establish consistency. In particular, since the bootstrap is analysed both under the null hypothesis and under the alternative, non-standard asymptotic expansions are required to deal with parameters on the boundary. Detailed proofs...

Preliminary investigation of cement materials in the Taif area, Saudi Arabia

Science.gov (United States)

Martin, Conrad

1970-01-01

A preliminary investigation of possible sources of cement rock in the Taft area was made during the latter part of August 1968. Adequate deposits of limestone, clay, quartz conglomerate and sandstone, and pisolitic iron ore, yet no gypsum, were located to support a Cement plant should it prove feasible to establish one in this area. These materials, made up mostly of Tertiary and later sediments, crop out in isolated, inconspicuous low hills in a north- trending belt, 10 to 15 kilometers wide, lying about 90 kilometers to-the east of At Taft. The belt extends for more than 90 kilometers from the vicinity of Jabal 'An in the south to the crushed rock pits at Radwan and beyond in the north. The area is readily accessible either from the Talf-Riyadh highway or from the Taif-Bishah road presently under construction. The limestone, which is quite pure and dense in some localities but dolomitic, argillaceous, and cherty in others, occurs in a variety of colors and would make suitable decorative building stone. The volcanic rocks of the Harrat Hadan, lying directly to the east of the limestone belt, include volcanic ash beds some of which may have been altered to bentonitlc clays. Others may have been lithified and might be suitable for light-weight aggregate. These possibilities remain to be investigated. Precambrian metamorphic rocks lying directly to the south and southeast of Taif were also investigated as possible cement rock sources, but no suitable material was found here.

Inflation and cosmological parameter estimation

Energy Technology Data Exchange (ETDEWEB)

Hamann, J.

2007-05-15

In this work, we focus on two aspects of cosmological data analysis: inference of parameter values and the search for new effects in the inflationary sector. Constraints on cosmological parameters are commonly derived under the assumption of a minimal model. We point out that this procedure systematically underestimates errors and possibly biases estimates, due to overly restrictive assumptions. In a more conservative approach, we analyse cosmological data using a more general eleven-parameter model. We find that regions of the parameter space that were previously thought ruled out are still compatible with the data; the bounds on individual parameters are relaxed by up to a factor of two, compared to the results for the minimal six-parameter model. Moreover, we analyse a class of inflation models, in which the slow roll conditions are briefly violated, due to a step in the potential. We show that the presence of a step generically leads to an oscillating spectrum and perform a fit to CMB and galaxy clustering data. We do not find conclusive evidence for a step in the potential and derive strong bounds on quantities that parameterise the step. (orig.)

Outdoor Education: A Product of the Times. Taft Campus Occasional Paper No. 19.

Science.gov (United States)

Hammerman, Donald R.

In the years from 1930 to 1960 a number of socio-cultural forces influenced the emergence of outdoor education with the five major areas of influence including philosophical, social, economical, political and educational factors. Philosophical factors were found in the doctrines of Rousseau, Herbart, Pestalozzi and Spencer with the ideas of…

Symmetry- and Solvent-Dependent Photophysics of Fluorenes Containing Donor and Acceptor Groups (Postprint)

Science.gov (United States)

2014-07-01

for exciplex forma- tion.29,30 Solvent-dependent studies by Belfield et al. on similar dyes31 and BT2F32 revealed strong solvatochromism on the emission...Swiger, R. N.; Orseno, D. L.; Haley, J. E.; Cooper, T. M.; Tan, L.-S. Exciplex Formation in Solid State Blends of Charge-Transfer-Type Afx Dyes and...Tan, L.-S. Exciplex Formation in Blended Spin-Cast Films of Fluorene-Linked Dyes and Bisphthalimide Quenchers. J. Phys. Chem. A 2013, 117, 3909−3917

Otto Rank, the Rankian circle in Philadelphia, and the origins of Carl Rogers' person-centered psychotherapy.

Science.gov (United States)

deCarvalho, R J

1999-05-01

Otto Rank's will therapy helped shape the ideas and techniques of relationship therapy developed by the Philadelphia social workers Jessie Taft, Virginia Robinson, and Frederick Allen in the 1930s. Rank's work and these ideas and techniques in turn strongly influenced the formulation of Carl Rogers' person-centered psychotherapy. This article compares and contrasts will, relationship, and person-centered approaches to psychotherapy and discusses the social factors--primarily the professional conflicts between a male-dominated psychiatry and female social workers over the independent practice of psychotherapy--that were crucial in the dissemination of Rank's psychological thought and the early popularity of Rogers.

Kinetics and Mechanism of the Pyridinolysis of Diisopropyl Chlorothiophosphate in Acetonitrile

Energy Technology Data Exchange (ETDEWEB)

Hoque, Md. Ehtesham Ul; Lee, Hai Whang [Inha Univ., Incheon (Korea, Republic of)

2012-10-15

The nucleophilic substitution reactions of diisopropyl chlorothiophosphate with X-pyridines have been kinetically studied in MeCN at 35.0 .deg. C. The Hammett and Bronsted plots for the substituent X variations in the nucleophiles show biphasic concave upwards with a break point at X = 3-Ph. The pyridinolysis rate of 5 exhibits great negative deviation from the Taft plot. A concerted S{sub N}2 mechanism is proposed involving a change of the attacking direction of the X-pyridines from a frontside attack with the strongly basic pyridines to a backside attack with the weakly basic pyridines.

Parameter transferability within homogeneous regions and comparisons with predictions from a priori parameters in the eastern United States

Science.gov (United States)

Chouaib, Wafa; Alila, Younes; Caldwell, Peter V.

2018-05-01

The need for predictions of flow time-series persists at ungauged catchments, motivating the research goals of our study. By means of the Sacramento model, this paper explores the use of parameter transfer within homogeneous regions of similar climate and flow characteristics and makes comparisons with predictions from a priori parameters. We assessed the performance using the Nash-Sutcliffe (NS), bias, mean monthly hydrograph and flow duration curve (FDC). The study was conducted on a large dataset of 73 catchments within the eastern US. Two approaches to the parameter transferability were developed and evaluated; (i) the within homogeneous region parameter transfer using one donor catchment specific to each region, (ii) the parameter transfer disregarding the geographical limits of homogeneous regions, where one donor catchment was common to all regions. Comparisons between both parameter transfers enabled to assess the gain in performance from the parameter regionalization and its respective constraints and limitations. The parameter transfer within homogeneous regions outperformed the a priori parameters and led to a decrease in bias and increase in efficiency reaching a median NS of 0.77 and a NS of 0.85 at individual catchments. The use of FDC revealed the effect of bias on the inaccuracy of prediction from parameter transfer. In one specific region, of mountainous and forested catchments, the prediction accuracy of the parameter transfer was less satisfactory and equivalent to a priori parameters. In this region, the parameter transfer from the outsider catchment provided the best performance; less-biased with smaller uncertainty in medium flow percentiles (40%-60%). The large disparity of energy conditions explained the lack of performance from parameter transfer in this region. Besides, the subsurface stormflow is predominant and there is a likelihood of lateral preferential flow, which according to its specific properties further explained the reduced

Multi-Objective Parameter Selection for Classifers

Directory of Open Access Journals (Sweden)

Christoph Mussel

2012-01-01

Full Text Available Setting the free parameters of classifiers to different values can have a profound impact on their performance. For some methods, specialized tuning algorithms have been developed. These approaches mostly tune parameters according to a single criterion, such as the cross-validation error. However, it is sometimes desirable to obtain parameter values that optimize several concurrent - often conflicting - criteria. The TunePareto package provides a general and highly customizable framework to select optimal parameters for classifiers according to multiple objectives. Several strategies for sampling andoptimizing parameters are supplied. The algorithm determines a set of Pareto-optimal parameter configuration and leaves the ultimate decision on the weighting of objectives to the researcher. Decision support is provided by novel visualization techniques.

Voltage stability, bifurcation parameters and continuation methods

Energy Technology Data Exchange (ETDEWEB)

Alvarado, F L [Wisconsin Univ., Madison, WI (United States)

1994-12-31

This paper considers the importance of the choice of bifurcation parameter in the determination of the voltage stability limit and the maximum power load ability of a system. When the bifurcation parameter is power demand, the two limits are equivalent. However, when other types of load models and bifurcation parameters are considered, the two concepts differ. The continuation method is considered as a method for determination of voltage stability margins. Three variants of the continuation method are described: the continuation parameter is the bifurcation parameter the continuation parameter is initially the bifurcation parameter, but is free to change, and the continuation parameter is a new `arc length` parameter. Implementations of voltage stability software using continuation methods are described. (author) 23 refs., 9 figs.

Sea surface stability parameters

International Nuclear Information System (INIS)

Weber, A.H.; Suich, J.E.

1978-01-01

A number of studies dealing with climatology of the Northwest Atlantic Ocean have been published in the last ten years. These published studies have dealt with directly measured meteorological parameters, e.g., wind speed, temperature, etc. This information has been useful because of the increased focus on the near coastal zone where man's activities are increasing in magnitude and scope, e.g., offshore power plants, petroleum production, and the subsequent environmental impacts of these activities. Atmospheric transport of passive or nonpassive material is significantly influenced by the turbulence structure of the atmosphere in the region of the atmosphere-ocean interface. This research entails identification of the suitability of standard atmospheric stability parameters which can be used to determine turbulence structure; the calculation of these parameters for the near-shore and continental shelf regions of the U.S. east coast from Cape Hatteras to Miami, Florida; and the preparation of a climatology of these parameters. In addition, a climatology for average surface stress for the same geographical region is being prepared

New fundamental parameters for attitude representation

Science.gov (United States)

Patera, Russell P.

2017-08-01

A new attitude parameter set is developed to clarify the geometry of combining finite rotations in a rotational sequence and in combining infinitesimal angular increments generated by angular rate. The resulting parameter set of six Pivot Parameters represents a rotation as a great circle arc on a unit sphere that can be located at any clocking location in the rotation plane. Two rotations are combined by linking their arcs at either of the two intersection points of the respective rotation planes. In a similar fashion, linking rotational increments produced by angular rate is used to derive the associated kinematical equations, which are linear and have no singularities. Included in this paper is the derivation of twelve Pivot Parameter elements that represent all twelve Euler Angle sequences, which enables efficient conversions between Pivot Parameters and any Euler Angle sequence. Applications of this new parameter set include the derivation of quaternions and the quaternion composition rule, as well as, the derivation of the analytical solution to time dependent coning motion. The relationships between Pivot Parameters and traditional parameter sets are included in this work. Pivot Parameters are well suited for a variety of aerospace applications due to their effective composition rule, singularity free kinematic equations, efficient conversion to and from Euler Angle sequences and clarity of their geometrical foundation.

Improved Estimates of Thermodynamic Parameters

Science.gov (United States)

Lawson, D. D.

1982-01-01

Techniques refined for estimating heat of vaporization and other parameters from molecular structure. Using parabolic equation with three adjustable parameters, heat of vaporization can be used to estimate boiling point, and vice versa. Boiling points and vapor pressures for some nonpolar liquids were estimated by improved method and compared with previously reported values. Technique for estimating thermodynamic parameters should make it easier for engineers to choose among candidate heat-exchange fluids for thermochemical cycles.

Parameter identifiability and redundancy: theoretical considerations.

Directory of Open Access Journals (Sweden)

Mark P Little

Full Text Available BACKGROUND: Models for complex biological systems may involve a large number of parameters. It may well be that some of these parameters cannot be derived from observed data via regression techniques. Such parameters are said to be unidentifiable, the remaining parameters being identifiable. Closely related to this idea is that of redundancy, that a set of parameters can be expressed in terms of some smaller set. Before data is analysed it is critical to determine which model parameters are identifiable or redundant to avoid ill-defined and poorly convergent regression. METHODOLOGY/PRINCIPAL FINDINGS: In this paper we outline general considerations on parameter identifiability, and introduce the notion of weak local identifiability and gradient weak local identifiability. These are based on local properties of the likelihood, in particular the rank of the Hessian matrix. We relate these to the notions of parameter identifiability and redundancy previously introduced by Rothenberg (Econometrica 39 (1971 577-591 and Catchpole and Morgan (Biometrika 84 (1997 187-196. Within the widely used exponential family, parameter irredundancy, local identifiability, gradient weak local identifiability and weak local identifiability are shown to be largely equivalent. We consider applications to a recently developed class of cancer models of Little and Wright (Math Biosciences 183 (2003 111-134 and Little et al. (J Theoret Biol 254 (2008 229-238 that generalize a large number of other recently used quasi-biological cancer models. CONCLUSIONS/SIGNIFICANCE: We have shown that the previously developed concepts of parameter local identifiability and redundancy are closely related to the apparently weaker properties of weak local identifiability and gradient weak local identifiability--within the widely used exponential family these concepts largely coincide.

Multi-Parameter Estimation for Orthorhombic Media

KAUST Repository

Masmoudi, Nabil

2015-08-19

Building reliable anisotropy models is crucial in seismic modeling, imaging and full waveform inversion. However, estimating anisotropy parameters is often hampered by the trade off between inhomogeneity and anisotropy. For instance, one way to estimate the anisotropy parameters is to relate them analytically to traveltimes, which is challenging in inhomogeneous media. Using perturbation theory, we develop travel-time approximations for orthorhombic media as explicit functions of the anellipticity parameters η1, η2 and a parameter Δγ in inhomogeneous background media. Specifically, our expansion assumes inhomogeneous ellipsoidal anisotropic background model, which can be obtained from well information and stacking velocity analysis. This approach has two main advantages: in one hand, it provides a computationally efficient tool to solve the orthorhombic eikonal equation, on the other hand, it provides a mechanism to scan for the best fitting anisotropy parameters without the need for repetitive modeling of traveltimes, because the coefficients of the traveltime expansion are independent of the perturbed parameters. Furthermore, the coefficients of the traveltime expansion provide insights on the sensitivity of the traveltime with respect to the perturbed parameters. We show the accuracy of the traveltime approximations as well as an approach for multi-parameter scanning in orthorhombic media.

Multi-Parameter Estimation for Orthorhombic Media

KAUST Repository

Masmoudi, Nabil; Alkhalifah, Tariq Ali

2015-01-01

Building reliable anisotropy models is crucial in seismic modeling, imaging and full waveform inversion. However, estimating anisotropy parameters is often hampered by the trade off between inhomogeneity and anisotropy. For instance, one way to estimate the anisotropy parameters is to relate them analytically to traveltimes, which is challenging in inhomogeneous media. Using perturbation theory, we develop travel-time approximations for orthorhombic media as explicit functions of the anellipticity parameters η1, η2 and a parameter Δγ in inhomogeneous background media. Specifically, our expansion assumes inhomogeneous ellipsoidal anisotropic background model, which can be obtained from well information and stacking velocity analysis. This approach has two main advantages: in one hand, it provides a computationally efficient tool to solve the orthorhombic eikonal equation, on the other hand, it provides a mechanism to scan for the best fitting anisotropy parameters without the need for repetitive modeling of traveltimes, because the coefficients of the traveltime expansion are independent of the perturbed parameters. Furthermore, the coefficients of the traveltime expansion provide insights on the sensitivity of the traveltime with respect to the perturbed parameters. We show the accuracy of the traveltime approximations as well as an approach for multi-parameter scanning in orthorhombic media.

Objective parameters for engine noise quality evaluation; Objektive Parameter zur Bewertung der Motorgeraeuschqualitaet

Energy Technology Data Exchange (ETDEWEB)

Graf, Bernhard; Brandl, Stephan [AVL List GmbH, Graz (Austria); Sontacchi, Alois [Univ. fuer Musik und Darstellende Kunst, Graz (Austria). Inst. fuer Elektronische Musik und Akustik; Girstmair, Josef [Kompetenzzentrum Das Virtuelle Fahrzeug, Graz (Austria). Gruppe Antriebsstrang Dynamik und Akustik

2013-06-01

Due to ongoing downsizing efforts and more stringent emission regulations, relevance of sound quality monitoring during engine and vehicle development is strongly increasing. Therefore AVL developed new sound quality parameters like CKI (Combustion Knocking Index) and HI (Harshness Index). Using these parameters sound quality can be objectively monitored, without subjective evaluations, online throughout the complete development process. (orig.)

Identifiability of altimetry-based rating curve parameters in function of river morphological parameters

Science.gov (United States)

Paris, Adrien; André Garambois, Pierre; Calmant, Stéphane; Paiva, Rodrigo; Walter, Collischonn; Santos da Silva, Joecila; Medeiros Moreira, Daniel; Bonnet, Marie-Paule; Seyler, Frédérique; Monnier, Jérôme

2016-04-01

Estimating river discharge for ungauged river reaches from satellite measurements is not straightforward given the nonlinearity of flow behavior with respect to measurable and non measurable hydraulic parameters. As a matter of facts, current satellite datasets do not give access to key parameters such as river bed topography and roughness. A unique set of almost one thousand altimetry-based rating curves was built by fit of ENVISAT and Jason-2 water stages with discharges obtained from the MGB-IPH rainfall-runoff model in the Amazon basin. These rated discharges were successfully validated towards simulated discharges (Ens = 0.70) and in-situ discharges (Ens = 0.71) and are not mission-dependent. The rating curve writes Q = a(Z-Z0)b*sqrt(S), with Z the water surface elevation and S its slope gained from satellite altimetry, a and b power law coefficient and exponent and Z0 the river bed elevation such as Q(Z0) = 0. For several river reaches in the Amazon basin where ADCP measurements are available, the Z0 values are fairly well validated with a relative error lower than 10%. The present contribution aims at relating the identifiability and the physical meaning of a, b and Z0given various hydraulic and geomorphologic conditions. Synthetic river bathymetries sampling a wide range of rivers and inflow discharges are used to perform twin experiments. A shallow water model is run for generating synthetic satellite observations, and then rating curve parameters are determined for each river section thanks to a MCMC algorithm. Thanks to twin experiments, it is shown that rating curve formulation with water surface slope, i.e. closer from Manning equation form, improves parameter identifiability. The compensation between parameters is limited, especially for reaches with little water surface variability. Rating curve parameters are analyzed for riffle and pools for small to large rivers, different river slopes and cross section shapes. It is shown that the river bed

MFV Reductions of MSSM Parameter Space

CERN Document Server

AbdusSalam, S.S.; Quevedo, F.

2015-01-01

The 100+ free parameters of the minimal supersymmetric standard model (MSSM) make it computationally difficult to compare systematically with data, motivating the study of specific parameter reductions such as the cMSSM and pMSSM. Here we instead study the reductions of parameter space implied by using minimal flavour violation (MFV) to organise the R-parity conserving MSSM, with a view towards systematically building in constraints on flavour-violating physics. Within this framework the space of parameters is reduced by expanding soft supersymmetry-breaking terms in powers of the Cabibbo angle, leading to a 24-, 30- or 42-parameter framework (which we call MSSM-24, MSSM-30, and MSSM-42 respectively), depending on the order kept in the expansion. We provide a Bayesian global fit to data of the MSSM-30 parameter set to show that this is manageable with current tools. We compare the MFV reductions to the 19-parameter pMSSM choice and show that the pMSSM is not contained as a subset. The MSSM-30 analysis favours...

Hybrid artificial bee colony algorithm for parameter optimization of five-parameter bidirectional reflectance distribution function model.

Science.gov (United States)

Wang, Qianqian; Zhao, Jing; Gong, Yong; Hao, Qun; Peng, Zhong

2017-11-20

A hybrid artificial bee colony (ABC) algorithm inspired by the best-so-far solution and bacterial chemotaxis was introduced to optimize the parameters of the five-parameter bidirectional reflectance distribution function (BRDF) model. To verify the performance of the hybrid ABC algorithm, we measured BRDF of three kinds of samples and simulated the undetermined parameters of the five-parameter BRDF model using the hybrid ABC algorithm and the genetic algorithm, respectively. The experimental results demonstrate that the hybrid ABC algorithm outperforms the genetic algorithm in convergence speed, accuracy, and time efficiency under the same conditions.

Parameter space of experimental chaotic circuits with high-precision control parameters

Energy Technology Data Exchange (ETDEWEB)

Sousa, Francisco F. G. de; Rubinger, Rero M. [Instituto de Física e Química, Universidade Federal de Itajubá, Itajubá, MG (Brazil); Sartorelli, José C., E-mail: sartorelli@if.usp.br [Universidade de São Paulo, São Paulo, SP (Brazil); Albuquerque, Holokx A. [Departamento de Física, Universidade do Estado de Santa Catarina, Joinville, SC (Brazil); Baptista, Murilo S. [Institute of Complex Systems and Mathematical Biology, SUPA, University of Aberdeen, Aberdeen (United Kingdom)

2016-08-15

We report high-resolution measurements that experimentally confirm a spiral cascade structure and a scaling relationship of shrimps in the Chua's circuit. Circuits constructed using this component allow for a comprehensive characterization of the circuit behaviors through high resolution parameter spaces. To illustrate the power of our technological development for the creation and the study of chaotic circuits, we constructed a Chua circuit and study its high resolution parameter space. The reliability and stability of the designed component allowed us to obtain data for long periods of time (∼21 weeks), a data set from which an accurate estimation of Lyapunov exponents for the circuit characterization was possible. Moreover, this data, rigorously characterized by the Lyapunov exponents, allows us to reassure experimentally that the shrimps, stable islands embedded in a domain of chaos in the parameter spaces, can be observed in the laboratory. Finally, we confirm that their sizes decay exponentially with the period of the attractor, a result expected to be found in maps of the quadratic family.

Complexity, parameter sensitivity and parameter transferability in the modelling of floodplain inundation

Science.gov (United States)

Bates, P. D.; Neal, J. C.; Fewtrell, T. J.

2012-12-01

In this we paper we consider two related questions. First, we address the issue of how much physical complexity is necessary in a model in order to simulate floodplain inundation to within validation data error. This is achieved through development of a single code/multiple physics hydraulic model (LISFLOOD-FP) where different degrees of complexity can be switched on or off. Different configurations of this code are applied to four benchmark test cases, and compared to the results of a number of industry standard models. Second we address the issue of how parameter sensitivity and transferability change with increasing complexity using numerical experiments with models of different physical and geometric intricacy. Hydraulic models are a good example system with which to address such generic modelling questions as: (1) they have a strong physical basis; (2) there is only one set of equations to solve; (3) they require only topography and boundary conditions as input data; and (4) they typically require only a single free parameter, namely boundary friction. In terms of complexity required we show that for the problem of sub-critical floodplain inundation a number of codes of different dimensionality and resolution can be found to fit uncertain model validation data equally well, and that in this situation Occam's razor emerges as a useful logic to guide model selection. We find also find that model skill usually improves more rapidly with increases in model spatial resolution than increases in physical complexity, and that standard approaches to testing hydraulic models against laboratory data or analytical solutions may fail to identify this important fact. Lastly, we find that in benchmark testing studies significant differences can exist between codes with identical numerical solution techniques as a result of auxiliary choices regarding the specifics of model implementation that are frequently unreported by code developers. As a consequence, making sound

Bayesian Parameter Estimation for Heavy-Duty Vehicles

Energy Technology Data Exchange (ETDEWEB)

Miller, Eric; Konan, Arnaud; Duran, Adam

2017-03-28

Accurate vehicle parameters are valuable for design, modeling, and reporting. Estimating vehicle parameters can be a very time-consuming process requiring tightly-controlled experimentation. This work describes a method to estimate vehicle parameters such as mass, coefficient of drag/frontal area, and rolling resistance using data logged during standard vehicle operation. The method uses Monte Carlo to generate parameter sets which is fed to a variant of the road load equation. Modeled road load is then compared to measured load to evaluate the probability of the parameter set. Acceptance of a proposed parameter set is determined using the probability ratio to the current state, so that the chain history will give a distribution of parameter sets. Compared to a single value, a distribution of possible values provides information on the quality of estimates and the range of possible parameter values. The method is demonstrated by estimating dynamometer parameters. Results confirm the method's ability to estimate reasonable parameter sets, and indicates an opportunity to increase the certainty of estimates through careful selection or generation of the test drive cycle.

A Modified Penalty Parameter Approach for Optimal Estimation of UH with Simultaneous Estimation of Infiltration Parameters

Science.gov (United States)

Bhattacharjya, Rajib Kumar

2018-05-01

The unit hydrograph and the infiltration parameters of a watershed can be obtained from observed rainfall-runoff data by using inverse optimization technique. This is a two-stage optimization problem. In the first stage, the infiltration parameters are obtained and the unit hydrograph ordinates are estimated in the second stage. In order to combine this two-stage method into a single stage one, a modified penalty parameter approach is proposed for converting the constrained optimization problem to an unconstrained one. The proposed approach is designed in such a way that the model initially obtains the infiltration parameters and then searches the optimal unit hydrograph ordinates. The optimization model is solved using Genetic Algorithms. A reduction factor is used in the penalty parameter approach so that the obtained optimal infiltration parameters are not destroyed during subsequent generation of genetic algorithms, required for searching optimal unit hydrograph ordinates. The performance of the proposed methodology is evaluated by using two example problems. The evaluation shows that the model is superior, simple in concept and also has the potential for field application.

Quantification of dynamic posterior translation in modified bilateral Alexander views and correlation with clinical and radiological parameters in patients with acute acromioclavicular joint instability.

Science.gov (United States)

Minkus, Marvin; Hann, Carmen; Scheibel, Markus; Kraus, Natascha

2017-06-01

Classification of AC-joint instability is based on radiologic evaluation of anteroposterior (a.p.) stress views of both shoulders, neglecting the horizontal component of instability. Recent studies have proposed an association of dynamic posterior translation (DPT) and inferior clinical results. The purpose of this study was to quantify DPT in modified Alexander views and correlate it with other radiological and clinical data. Thirty-two patients (4 f, 28 m, mean age 34.1) with acute AC-joint dislocation (16 = RW III, 16 = RW V) underwent radiological examination including bilateral a.p. stress views with measurement of the coracoclavicular distance (CCD) and bilateral modified Alexander views with different approaches to quantify DPT (overlapping area OA AC , overlapping length OL AC ). In addition, the Constant Score, Subjective Shoulder Value, Taft Score (TF), and the Acromioclavicular Joint Instability Score (ACJI) were obtained. In Rockwood (RW) type III injuries, a mean CCD of 15.8 (9.8-22.8) mm, OA AC of 50.9 (0-216.6) mm 2 , and OL AC of 6.5 (-4.7-17.9) mm were found. RW V patients showed a CCD of 23.1 (13.7-32.0) mm; OA AC 7.0 (0-92.3) mm 2 ; and OL AC -4.8 (-19.6-9.8) mm. Particularly in RW III the CCD, OA AC and OL AC revealed significant correlation with the ACJI (r = -0.64/r = 0.72/r = 0.68, p  0.05 and OL AC with TF: r = -0.45, p > 0.05). Measuring the OL AC is a convenient way for quantifying DPT in modified Alexander views. It showed significant correlation with clinical scores, indicating the relevance of DPT in patients with AC-joint injury.

Design parameters and source terms: Volume 1, Design parameters: Revision 0

International Nuclear Information System (INIS)

1987-10-01

The Design Parameters and Source Terms Document was prepared in accordance with DOE request and to provide data for the environmental impact study to be performed in the future for the Deaf Smith County, Texas site for a nuclear waste repository in salt. This document updates a previous unpublished report by Stearns Catalytic Corporation (SCC), entitled ''Design Parameters and Source Terms for a Two-Phase Repository in Salt,'' 1985, to the level of the Site Characterization Plan - Conceptual Design Report. The previous unpublished SCC Study identifies the data needs for the Environmental Assessment effort for seven possible Salt Repository sites

ATLAS parameter study

International Nuclear Information System (INIS)

Adler, R.J.

1994-01-01

The purpose of this study is to make an independent assessment on the parameters chosen for the ATLAS capacitor bank at LANL. The contractor will perform a study of the basic pulsed power parameters of the ATLAS device with baseline functional parameters of >25 MA implosion current and <2.5 microsecond current risetime. Nominal circuit parameters held fixed will be the 14 nH from the vacuum interface to the load, and the nominal load impedances of 1 milliohm for slow loads and 10 milliohms for fast loads. Single Ended designs, as opposed to bipolar designs, will be studied in detail. The ATLAS pulsed power design problem is about inductance. The reason that a 36 MJ bank is required is that such a bank has enough individual capacitors so that the parallel inductance is acceptably low. Since about half the inductance is in the bank, and the inductance and time constant of the submodules is fixed, the variation of output with a given parameter will generally be a weak one. In general, the dl/dt calculation demonstrates that for the real system inductances, 700 kV is the optimum voltage for the bank to drive X-ray loads. The optimum is broad, and there is little reduction in performance at voltages as low as 450 kV. The direct drive velocity analysis also shows that the optimum velocity is between 480 and 800 kV for a variety of assumptions, and that there is less than a 10% variation in velocity over this range. Voltages in the 120 kV--600 kV range are desirable for driving heavy liners. A compromise optimum operating point might be 480 kV, at which all X-ray operation scenarios are within 10% of their velocity optimum, and heavy liners can be configured to be near optimum if small enough. Based on very preliminary studies the author believes that the choice of a single operating voltage point (say, 480 kV) is unnecessary, and that a bank engineered for dual operation at 480 and 240 kV will be the best solution to the ATLAS problem

Psychoacoustic parameters and its measuring system; Onshitsu hyoka wo hyokasuru tame no parameter to keisoku system

Energy Technology Data Exchange (ETDEWEB)

Ohashi, M.; Imaizumi, H.; Ono, T. [Ono Sokki Co. Ltd., Tokyo (Japan)

1998-05-01

Human auditory sensation has both extremely excellent performance and general versatility as sound analyzer. At present, it is impossible to make equipment with the same functions as human being, and describe an auditory sensation function as acoustic sensor even by any physical analysis techniques. However, extraction of auditory sensation parameters is becoming possible by using psychoacoustics and binaural signal processing. This paper mainly explains the calculation method of sound quality evaluation parameters derived from psychoacoustic results based on a sound quality evaluation system under development by the authors. This system is based on binaural measurement by dummy head, and calculates psychoacoustic parameters such as loudness, sharpness, roughness, fluctuation strength and tonality through frequency analysis of the measured stereo signals. The system also calculates 2-D parameters such as sensory pleasantness and unbiased annoyance based on the above parameters. 12 refs., 4 figs.

Electroweak interaction parameters

International Nuclear Information System (INIS)

Marciano, W.J.

1984-01-01

After a presentation of the experimentally determined parameters of the standard SU(3) x SU(2) x U(1) model the author discusses the definition of the Weinberg angle. Then masses and widths of the intermediate vector bosons are considered in the framework of the Weinberg-Salam theory with radiative corrections. Furthermore the radiative decays of these bosons are discussed. Then the relations between the masses of the Higgs boson and the top quark are considered. Thereafter grand unification is briefly discussed with special regards to the SU(5) prediction of some observable parameters. Finally some speculations are made concerning the observation of radiative decays in the UA1 experiments. (HSI)

Recovering Parameters of Johnson's SB Distribution

Science.gov (United States)

Bernard R. Parresol

2003-01-01

A new parameter recovery model for Johnson's SB distribution is developed. This latest alternative approach permits recovery of the range and both shape parameters. Previous models recovered only the two shape parameters. Also, a simple procedure for estimating the distribution minimum from sample values is presented. The new methodology...

On the Interplay between Order Parameter Dynamics and System Parameter Dynamics in Human Perceptual-Cognitive-Behavioral Systems.

Science.gov (United States)

Frank, T D

2015-04-01

Previous research has demonstrated that perceiving, thinking, and acting are human activities that correspond to self-organized patterns. The emergence of such patterns can be completely described in terms of the dynamics of the pattern amplitudes, which are referred to as order parameters. The patterns emerge at bifurcations points when certain system parameters internal and external to a human agent exceed critical values. At issue is how one might study the order parameter dynamics for sequences of consecutive, emergent perceptual, cognitive, or behavioral activities. In particular, these activities may in turn impact the system parameters that have led to the emergence of the activities in the first place. This interplay between order parameter dynamics and system parameter dynamics is discussed in general and formulated in mathematical terms. Previous work that has made use of this two-tiered framework of order parameter and system parameter dynamics are briefly addressed. As an application, a model for perception under functional fixedness is presented. Finally, it is argued that the phenomena that emerge in this framework and can be observed when human agents perceive, think, and act are just as likely to occur in pattern formation systems of the inanimate world. Consequently, these phenomena do not necessarily have a neurophysiological basis but should instead be understood from the perspective of the theory of self-organization.

Biotropic parameters of magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Shishlo, M.A.

The use of magnetic fields (MF) in biology and medicine to control biological systems has led to appearance of the term, biotropic parameters of MF. They include the physical characteristics of MF, which determine the primary biologically significant physicochemical mechanisms of field action causing formation of corresponding reactions on the level of the integral organism. These parameters include MF intensity, gradient, vector, pulse frequency and shape, and duration of exposure. Factors that elicit responses by the biological system include such parameter of MF interaction with the integral organism as localization of exposure and volume of tissues interacting with the field, as well as the initial state of the organism. In essence, the findings of experimental studies of biotropic parameters of MF make it possible to control physiological processes and will aid in optimizing methods of MF therapy.

Approximate effect of parameter pseudonoise intensity on rate of convergence for EKF parameter estimators. [Extended Kalman Filter

Science.gov (United States)

Hill, Bryon K.; Walker, Bruce K.

1991-01-01

When using parameter estimation methods based on extended Kalman filter (EKF) theory, it is common practice to assume that the unknown parameter values behave like a random process, such as a random walk, in order to guarantee their identifiability by the filter. The present work is the result of an ongoing effort to quantitatively describe the effect that the assumption of a fictitious noise (called pseudonoise) driving the unknown parameter values has on the parameter estimate convergence rate in filter-based parameter estimators. The initial approach is to examine a first-order system described by one state variable with one parameter to be estimated. The intent is to derive analytical results for this simple system that might offer insight into the effect of the pseudonoise assumption for more complex systems. Such results would make it possible to predict the estimator error convergence behavior as a function of the assumed pseudonoise intensity, and this leads to the natural application of the results to the design of filter-based parameter estimators. The results obtained show that the analytical description of the convergence behavior is very difficult.

PARAMETER ESTIMATION IN BREAD BAKING MODEL

Directory of Open Access Journals (Sweden)

Hadiyanto Hadiyanto

2012-05-01

Full Text Available Bread product quality is highly dependent to the baking process. A model for the development of product quality, which was obtained by using quantitative and qualitative relationships, was calibrated by experiments at a fixed baking temperature of 200°C alone and in combination with 100 W microwave powers. The model parameters were estimated in a stepwise procedure i.e. first, heat and mass transfer related parameters, then the parameters related to product transformations and finally product quality parameters. There was a fair agreement between the calibrated model results and the experimental data. The results showed that the applied simple qualitative relationships for quality performed above expectation. Furthermore, it was confirmed that the microwave input is most meaningful for the internal product properties and not for the surface properties as crispness and color. The model with adjusted parameters was applied in a quality driven food process design procedure to derive a dynamic operation pattern, which was subsequently tested experimentally to calibrate the model. Despite the limited calibration with fixed operation settings, the model predicted well on the behavior under dynamic convective operation and on combined convective and microwave operation. It was expected that the suitability between model and baking system could be improved further by performing calibration experiments at higher temperature and various microwave power levels.  Abstrak  PERKIRAAN PARAMETER DALAM MODEL UNTUK PROSES BAKING ROTI. Kualitas produk roti sangat tergantung pada proses baking yang digunakan. Suatu model yang telah dikembangkan dengan metode kualitatif dan kuantitaif telah dikalibrasi dengan percobaan pada temperatur 200oC dan dengan kombinasi dengan mikrowave pada 100 Watt. Parameter-parameter model diestimasi dengan prosedur bertahap yaitu pertama, parameter pada model perpindahan masa dan panas, parameter pada model transformasi, dan

Importance theory for lumped-parameter systems

International Nuclear Information System (INIS)

Cady, K.B.; Kenton, M.A.; Ward, J.C.; Piepho, M.G.

1981-01-01

A general sensitivity theory has been developed for nonlinear lumped parameter system simulations. The point of departure is general perturbation theory for nonlinear systems. Importance theory as developed here allows the calculation of the sensitivity of a response function to any physical or design parameter; importance of any equation or term or physical effect in the system model on the response function; variance of the response function caused by the variances and covariances of all physical parameters; and approximate effect on the response function of missing physical phenomena or incorrect parameters

The Impact of Three Factors on the Recovery of Item Parameters for the Three-Parameter Logistic Model

Science.gov (United States)

Kim, Kyung Yong; Lee, Won-Chan

2017-01-01

This article provides a detailed description of three factors (specification of the ability distribution, numerical integration, and frame of reference for the item parameter estimates) that might affect the item parameter estimation of the three-parameter logistic model, and compares five item calibration methods, which are combinations of the…

Background-cross-section-dependent subgroup parameters

International Nuclear Information System (INIS)

Yamamoto, Toshihisa

2003-01-01

A new set of subgroup parameters was derived that can reproduce the self-shielded cross section against a wide range of background cross sections. The subgroup parameters are expressed with a rational equation which numerator and denominator are expressed as the expansion series of background cross section, so that the background cross section dependence is exactly taken into account in the parameters. The advantage of the new subgroup parameters is that they can reproduce the self-shielded effect not only by group basis but also by subgroup basis. Then an adaptive method is also proposed which uses fitting procedure to evaluate the background-cross-section-dependence of the parameters. One of the simple fitting formula was able to reproduce the self-shielded subgroup cross section by less than 1% error from the precise evaluation. (author)

Precision Parameter Estimation and Machine Learning

Science.gov (United States)

Wandelt, Benjamin D.

2008-12-01

I discuss the strategy of ``Acceleration by Parallel Precomputation and Learning'' (AP-PLe) that can vastly accelerate parameter estimation in high-dimensional parameter spaces and costly likelihood functions, using trivially parallel computing to speed up sequential exploration of parameter space. This strategy combines the power of distributed computing with machine learning and Markov-Chain Monte Carlo techniques efficiently to explore a likelihood function, posterior distribution or χ2-surface. This strategy is particularly successful in cases where computing the likelihood is costly and the number of parameters is moderate or large. We apply this technique to two central problems in cosmology: the solution of the cosmological parameter estimation problem with sufficient accuracy for the Planck data using PICo; and the detailed calculation of cosmological helium and hydrogen recombination with RICO. Since the APPLe approach is designed to be able to use massively parallel resources to speed up problems that are inherently serial, we can bring the power of distributed computing to bear on parameter estimation problems. We have demonstrated this with the CosmologyatHome project.

The ASDEX Upgrade Parameter Server

Energy Technology Data Exchange (ETDEWEB)

Neu, Gregor, E-mail: gregor.neu@ipp.mpg.de [Max-Planck-Institut für Plasmaphysik, Boltzmannstr. 2, 85748 Garching (Germany); Cole, Richard [Unlimited Computer Systems, Seeshaupter Str. 15, 82393 Iffeldorf (Germany); Gräter, Alex [Max-Planck-Institut für Plasmaphysik, Boltzmannstr. 2, 85748 Garching (Germany); Lüddecke, Klaus [Unlimited Computer Systems, Seeshaupter Str. 15, 82393 Iffeldorf (Germany); Rapson, Christopher J.; Raupp, Gerhard; Treutterer, Wolfgang; Zasche, Dietrich; Zehetbauer, Thomas [Max-Planck-Institut für Plasmaphysik, Boltzmannstr. 2, 85748 Garching (Germany)

2015-10-15

Highlights: • We describe our main tool in the plasma control configuration process. • Parameter access and computation are configurable with XML files. • Simple implementation of in situ tests by rerouting requests to test data. • Pulse specific overriding of parameters. - Abstract: Concepts for the configuration of plant systems and plasma control of modern devices such as ITER and W7-X are based on global data structures, or “pulse schedules” or “experiment programs”, which specify all physics characteristics (waveforms for controlled actuators and plasma quantities) and all technical characteristics of the plant systems (diagnostics and actuators operation settings) for a planned pulse. At ASDEX Upgrade we use different approach. We observed that the physics characteristics driving the discharge control system (DCS) are frequently modified on a pulse-to-pulse basis. Plant system operation, however, relies on technical standard settings, or “basic configurations” to provide guaranteed resources or services, which evolve according to longer term session or campaign operation schedules. This is why AUG manages technical configuration items separately from physics items. Consistent computation of the DCS configuration requires access to all this physics and technical data, which include the discharge programme (DP), settings of actuator systems and real-time diagnostics, the current system state and a database of static parameters. A Parameter Server provides a unified view on all these parameter sets and acts as the central point of access. We describe the functionality and architecture of the Parameter Server and its embedding into the control environment.

Performance analysis of pin fins with temperature dependent thermal parameters using the variation of parameters method

Directory of Open Access Journals (Sweden)

Cihat Arslantürk

2016-08-01

Full Text Available The performance of pin fins transferring heat by convection and radiation and having variable thermal conductivity, variable emissivity and variable heat transfer coefficient was investigated in the present paper. Nondimensionalizing the fin equation, the problem parameters which affect the fin performance were obtained. Dimensionless nonlinear fin equation was solved with the variation of parameters method, which is quite new in the solution of nonlinear heat transfer problems. The solution of variation of parameters method was compared with known analytical solutions and some numerical solution. The comparisons showed that the solutions are seen to be perfectly compatible. The effects of problem parameters were investigated on the heat transfer rate and fin efficiency and results were presented graphically.

Establishing statistical models of manufacturing parameters

International Nuclear Information System (INIS)

Senevat, J.; Pape, J.L.; Deshayes, J.F.

1991-01-01

This paper reports on the effect of pilgering and cold-work parameters on contractile strain ratio and mechanical properties that were investigated using a large population of Zircaloy tubes. Statistical models were established between: contractile strain ratio and tooling parameters, mechanical properties (tensile test, creep test) and cold-work parameters, and mechanical properties and stress-relieving temperature

Telemetry System of Biological Parameters

Directory of Open Access Journals (Sweden)

Jan Spisak

2005-01-01

Full Text Available The mobile telemetry system of biological parameters serves for reading and wireless data transfer of measured values of selected biological parameters to an outlying computer. It concerns basically long time monitoring of vital function of car pilot.The goal of this projects is to propose mobile telemetry system for reading, wireless transfer and processing of biological parameters of car pilot during physical and psychical stress. It has to be made with respect to minimal consumption, weight and maximal device mobility. This system has to eliminate signal noise, which is created by biological artifacts and disturbances during the data transfer.

Reassessment of safeguards parameters

Energy Technology Data Exchange (ETDEWEB)

Hakkila, E.A.; Richter, J.L.; Mullen, M.F.

1994-07-01

The International Atomic Energy Agency is reassessing the timeliness and goal quantity parameters that are used in defining safeguards approaches. This study reviews technology developments since the parameters were established in the 1970s and concludes that there is no reason to relax goal quantity or conversion time for reactor-grade plutonium relative to weapons-grade plutonium. For low-enriched uranium, especially in countries with advanced enrichment capability there may be an incentive to shorten the detection time.

Band parameters of phosphorene

DEFF Research Database (Denmark)

Lew Yan Voon, L. C.; Wang, J.; Zhang, Y.

2015-01-01

Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory...... are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene....

HF Parameters of Induction Motor

Directory of Open Access Journals (Sweden)

M. N. Benallal

2017-09-01

Full Text Available This article describes the results of experimental studies of HF input and primary parameters. A simulation model in Matlab SimulinkTM of multiphase windings as ladder circuit of coils is developed. A method for determining the primary parameters of ladder equivalent circuits is presented.

Circuit realization, chaos synchronization and estimation of parameters of a hyperchaotic system with unknown parameters

Directory of Open Access Journals (Sweden)

A. Elsonbaty

2014-10-01

Full Text Available In this article, the adaptive chaos synchronization technique is implemented by an electronic circuit and applied to the hyperchaotic system proposed by Chen et al. We consider the more realistic and practical case where all the parameters of the master system are unknowns. We propose and implement an electronic circuit that performs the estimation of the unknown parameters and the updating of the parameters of the slave system automatically, and hence it achieves the synchronization. To the best of our knowledge, this is the first attempt to implement a circuit that estimates the values of the unknown parameters of chaotic system and achieves synchronization. The proposed circuit has a variety of suitable real applications related to chaos encryption and cryptography. The outputs of the implemented circuits and numerical simulation results are shown to view the performance of the synchronized system and the proposed circuit.

Parameter estimation of variable-parameter nonlinear Muskingum model using excel solver

Science.gov (United States)

Kang, Ling; Zhou, Liwei

2018-02-01

Abstract . The Muskingum model is an effective flood routing technology in hydrology and water resources Engineering. With the development of optimization technology, more and more variable-parameter Muskingum models were presented to improve effectiveness of the Muskingum model in recent decades. A variable-parameter nonlinear Muskingum model (NVPNLMM) was proposed in this paper. According to the results of two real and frequently-used case studies by various models, the NVPNLMM could obtain better values of evaluation criteria, which are used to describe the superiority of the estimated outflows and compare the accuracies of flood routing using various models, and the optimal estimated outflows by the NVPNLMM were closer to the observed outflows than the ones by other models.

Band parameters of phosphorene

International Nuclear Information System (INIS)

Lew Yan Voon, L C; Wang, J; Zhang, Y; Willatzen, M

2015-01-01

Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene. (paper)

Optomechanical parameter estimation

International Nuclear Information System (INIS)

Ang, Shan Zheng; Tsang, Mankei; Harris, Glen I; Bowen, Warwick P

2013-01-01

We propose a statistical framework for the problem of parameter estimation from a noisy optomechanical system. The Cramér–Rao lower bound on the estimation errors in the long-time limit is derived and compared with the errors of radiometer and expectation–maximization (EM) algorithms in the estimation of the force noise power. When applied to experimental data, the EM estimator is found to have the lowest error and follow the Cramér–Rao bound most closely. Our analytic results are envisioned to be valuable to optomechanical experiment design, while the EM algorithm, with its ability to estimate most of the system parameters, is envisioned to be useful for optomechanical sensing, atomic magnetometry and fundamental tests of quantum mechanics. (paper)

Model parameter updating using Bayesian networks

International Nuclear Information System (INIS)

Treml, C.A.; Ross, Timothy J.

2004-01-01

This paper outlines a model parameter updating technique for a new method of model validation using a modified model reference adaptive control (MRAC) framework with Bayesian Networks (BNs). The model parameter updating within this method is generic in the sense that the model/simulation to be validated is treated as a black box. It must have updateable parameters to which its outputs are sensitive, and those outputs must have metrics that can be compared to that of the model reference, i.e., experimental data. Furthermore, no assumptions are made about the statistics of the model parameter uncertainty, only upper and lower bounds need to be specified. This method is designed for situations where a model is not intended to predict a complete point-by-point time domain description of the item/system behavior; rather, there are specific points, features, or events of interest that need to be predicted. These specific points are compared to the model reference derived from actual experimental data. The logic for updating the model parameters to match the model reference is formed via a BN. The nodes of this BN consist of updateable model input parameters and the specific output values or features of interest. Each time the model is executed, the input/output pairs are used to adapt the conditional probabilities of the BN. Each iteration further refines the inferred model parameters to produce the desired model output. After parameter updating is complete and model inputs are inferred, reliabilities for the model output are supplied. Finally, this method is applied to a simulation of a resonance control cooling system for a prototype coupled cavity linac. The results are compared to experimental data.

Parameter Estimation in Continuous Time Domain

Directory of Open Access Journals (Sweden)

Gabriela M. ATANASIU

2016-12-01

Full Text Available This paper will aim to presents the applications of a continuous-time parameter estimation method for estimating structural parameters of a real bridge structure. For the purpose of illustrating this method two case studies of a bridge pile located in a highly seismic risk area are considered, for which the structural parameters for the mass, damping and stiffness are estimated. The estimation process is followed by the validation of the analytical results and comparison with them to the measurement data. Further benefits and applications for the continuous-time parameter estimation method in civil engineering are presented in the final part of this paper.

The Solubility Parameters of Ionic Liquids

Science.gov (United States)

Marciniak, Andrzej

2010-01-01

The Hildebrand’s solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vaporization of ionic liquids were estimated. PMID:20559495

The Solubility Parameters of Ionic Liquids

Directory of Open Access Journals (Sweden)

Andrzej Marciniak

2010-04-01

Full Text Available The Hildebrand’s solubility parameters have been calculated for 18 ionic liquids from the inverse gas chromatography measurements of the activity coefficients at infinite dilution. Retention data were used for the calculation. The solubility parameters are helpful for the prediction of the solubility in the binary solvent mixtures. From the solubility parameters, the standard enthalpies of vaporization of ionic liquids were estimated.

Cosmological parameter estimation using Particle Swarm Optimization

Science.gov (United States)

Prasad, J.; Souradeep, T.

2014-03-01

Constraining parameters of a theoretical model from observational data is an important exercise in cosmology. There are many theoretically motivated models, which demand greater number of cosmological parameters than the standard model of cosmology uses, and make the problem of parameter estimation challenging. It is a common practice to employ Bayesian formalism for parameter estimation for which, in general, likelihood surface is probed. For the standard cosmological model with six parameters, likelihood surface is quite smooth and does not have local maxima, and sampling based methods like Markov Chain Monte Carlo (MCMC) method are quite successful. However, when there are a large number of parameters or the likelihood surface is not smooth, other methods may be more effective. In this paper, we have demonstrated application of another method inspired from artificial intelligence, called Particle Swarm Optimization (PSO) for estimating cosmological parameters from Cosmic Microwave Background (CMB) data taken from the WMAP satellite.

Cosmological parameter estimation using Particle Swarm Optimization

International Nuclear Information System (INIS)

Prasad, J; Souradeep, T

2014-01-01

Constraining parameters of a theoretical model from observational data is an important exercise in cosmology. There are many theoretically motivated models, which demand greater number of cosmological parameters than the standard model of cosmology uses, and make the problem of parameter estimation challenging. It is a common practice to employ Bayesian formalism for parameter estimation for which, in general, likelihood surface is probed. For the standard cosmological model with six parameters, likelihood surface is quite smooth and does not have local maxima, and sampling based methods like Markov Chain Monte Carlo (MCMC) method are quite successful. However, when there are a large number of parameters or the likelihood surface is not smooth, other methods may be more effective. In this paper, we have demonstrated application of another method inspired from artificial intelligence, called Particle Swarm Optimization (PSO) for estimating cosmological parameters from Cosmic Microwave Background (CMB) data taken from the WMAP satellite

(Liquid + liquid) equilibria for ternary mixtures of (water + propionic acid + organic solvent) at T = 303.2 K

International Nuclear Information System (INIS)

Ghanadzadeh, H.; Ghanadzadeh Gilani, A.; Bahrpaima, Kh.; Sariri, R.

2010-01-01

Experimental tie-line results and phase diagrams were obtained for the ternary systems of {water + propionic acid + organic solvent (cyclohexane, toluene, and methylcyclohexane)} at T = 303.2 K and atmospheric pressure. The organic solvents were two cycloaliphatic hydrocarbons (i.e., cyclohexane and methylcyclohexane) and an aromatic hydrocarbon (toluene). The experimental tie-lines values were also compared with those calculated by the UNIQUAC and NRTL models. The consistency of the values of the experimental tie-lines was determined through the Othmer-Tobias and Hands plots. Distribution coefficients and separation factors were evaluated over the immiscibility regions and a comparison of the extracting capabilities of the solvents was made with respect to distribution coefficients and separation factors. The Kamlet LSER model was applied to correlate distribution coefficients and separation factors in these ternary systems. The LSER model values showed a good regression to the experimental results.

Hyperspectral signature analysis of skin parameters

Science.gov (United States)

Vyas, Saurabh; Banerjee, Amit; Garza, Luis; Kang, Sewon; Burlina, Philippe

2013-02-01

The temporal analysis of changes in biological skin parameters, including melanosome concentration, collagen concentration and blood oxygenation, may serve as a valuable tool in diagnosing the progression of malignant skin cancers and in understanding the pathophysiology of cancerous tumors. Quantitative knowledge of these parameters can also be useful in applications such as wound assessment, and point-of-care diagnostics, amongst others. We propose an approach to estimate in vivo skin parameters using a forward computational model based on Kubelka-Munk theory and the Fresnel Equations. We use this model to map the skin parameters to their corresponding hyperspectral signature. We then use machine learning based regression to develop an inverse map from hyperspectral signatures to skin parameters. In particular, we employ support vector machine based regression to estimate the in vivo skin parameters given their corresponding hyperspectral signature. We build on our work from SPIE 2012, and validate our methodology on an in vivo dataset. This dataset consists of 241 signatures collected from in vivo hyperspectral imaging of patients of both genders and Caucasian, Asian and African American ethnicities. In addition, we also extend our methodology past the visible region and through the short-wave infrared region of the electromagnetic spectrum. We find promising results when comparing the estimated skin parameters to the ground truth, demonstrating good agreement with well-established physiological precepts. This methodology can have potential use in non-invasive skin anomaly detection and for developing minimally invasive pre-screening tools.

Quantitative analysis of spatial variability of geotechnical parameters

Science.gov (United States)

Fang, Xing

2018-04-01

Geotechnical parameters are the basic parameters of geotechnical engineering design, while the geotechnical parameters have strong regional characteristics. At the same time, the spatial variability of geotechnical parameters has been recognized. It is gradually introduced into the reliability analysis of geotechnical engineering. Based on the statistical theory of geostatistical spatial information, the spatial variability of geotechnical parameters is quantitatively analyzed. At the same time, the evaluation of geotechnical parameters and the correlation coefficient between geotechnical parameters are calculated. A residential district of Tianjin Survey Institute was selected as the research object. There are 68 boreholes in this area and 9 layers of mechanical stratification. The parameters are water content, natural gravity, void ratio, liquid limit, plasticity index, liquidity index, compressibility coefficient, compressive modulus, internal friction angle, cohesion and SP index. According to the principle of statistical correlation, the correlation coefficient of geotechnical parameters is calculated. According to the correlation coefficient, the law of geotechnical parameters is obtained.

Relationship between macular ganglion cell complex parameters and visual field parameters after tumor resection in chiasmal compression.

Science.gov (United States)

Ohkubo, Shinji; Higashide, Tomomi; Takeda, Hisashi; Murotani, Eiji; Hayashi, Yasuhiko; Sugiyama, Kazuhisa

2012-01-01

To evaluate the relationship between macular ganglion cell complex (GCC) parameters and visual field (VF) parameters in chiasmal compression and the potential for GCC parameters in order to predict the short-term postsurgical VF. Twenty-three eyes of 12 patients with chiasmal compression and 33 control eyes were studied. All patients underwent transsphenoidal tumor resection. Before surgery a 3D scan of the macula was taken using spectral-domain optical coherence tomography. All patients underwent Humphrey 24-2 VF testing after surgery. Spearman's rank correlation coefficients were used to evaluate the relationship between the GCC parameters and VF parameters [mean deviation (MD), pattern standard deviation]. Coefficients of determination (R2) were calculated using linear regression. Average thickness in the patients was significantly thinner than that of controls. Average thickness, global loss volume and focal loss volume (FLV) significantly correlated with the MD. We observed the greatest R2 between FLV and MD. Examining the macular GCC was useful for evaluating structural damage in patients with chiasmal compression. Preoperative GCC parameters, especially FLV, may be useful in predicting visual function following surgical decompression of chiasmal compression.

ACTIVATION PARAMETERS AND EXCESS THERMODYANAMIC ...

African Journals Online (AJOL)

Applying these data, viscosity-B-coefficients, activation parameters (Δμ10≠) and (Δμ20≠) and excess thermodynamic functions, viz., excess molar volume (VE), excess viscosity, ηE and excess molar free energy of activation of flow, (GE) were calculated. The value of interaction parameter, d, of Grunberg and Nissan ...

Parameters in pure type systems

NARCIS (Netherlands)

Bloo, C.J.; Kamareddine, F.; Laan, T.D.L.; Nederpelt, R.P.; Rajsbaum, S.

2002-01-01

In this paper we study the addition of parameters to typed ¿-calculus with definitions. We show that the resulting systems have nice properties and illustrate that parameters allow for a better fine-tuning of the strength of type systems as well as staying closer to type systems used in practice in

Donor-π-Acceptor Polymer with Alternating Triarylborane and Triphenylamine Moieties.

Science.gov (United States)

Li, Haiyan; Jäkle, Frieder

2010-05-12

A luminescent main chain donor-π-acceptor-type polymer (4) was prepared via organometallic polycondensation reaction followed by post modification. With both electron-rich amine and electron-deficient borane moieties embedded in the main chain, 4 exhibits an interesting ambipolar character: it can be reduced and oxidized electrochemically at moderate potentials and shows a strong solvatochromic effect in the emission spectra. Complexation studies show that 4 selectively binds to fluoride and cyanide; quantitative titration with cyanide reveals a two-step binding process. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An Unprecedented Blue Chromophore Found in Nature using a "Chemistry First" and Molecular Networking Approach: Discovery of Dactylocyanines A-H.

Science.gov (United States)

Bonneau, Natacha; Chen, Guanming; Lachkar, David; Boufridi, Asmaa; Gallard, Jean-François; Retailleau, Pascal; Petek, Sylvain; Debitus, Cécile; Evanno, Laurent; Beniddir, Mehdi A; Poupon, Erwan

2017-10-17

Guided by a "chemistry first" approach using molecular networking, eight new bright-blue colored natural compounds, namely dactylocyanines A-H (3-10), were isolated from the Polynesian marine sponge Dactylospongia metachromia. Starting from ilimaquinone (1), an hemisynthetic phishing probe (2) was prepared for annotating and matching structurally related natural substances in D. metachromia crude extract network. This strategy allowed characterizing for the first time in Nature the blue zwitterionic quinonoid chromophore. The solvatochromic properties of the latter are reported. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quality assessment for radiological model parameters

International Nuclear Information System (INIS)

Funtowicz, S.O.

1989-01-01

A prototype framework for representing uncertainties in radiological model parameters is introduced. This follows earlier development in this journal of a corresponding framework for representing uncertainties in radiological data. Refinements and extensions to the earlier framework are needed in order to take account of the additional contextual factors consequent on using data entries to quantify model parameters. The parameter coding can in turn feed in to methods for evaluating uncertainties in calculated model outputs. (author)

Study of electroweak parameters at LEP

International Nuclear Information System (INIS)

Blum, W.

1991-10-01

The measurement of the line shape and asymmetry parameters of the Z 0 in its leptonic and hadronic decays are reviewed. Progress is reported about a considerable increase in measurement accuracy. Several tests of the Standard Model confirm it to better than one per cent. New values for the effective mixing parameter are derived from the line shape parameters averaged over the four LEP experiments. The corresponding limits on the top mass are presented. (orig.)

Introduction of Two Novel Stiffness Parameters and Interpretation of Air Puff-Induced Biomechanical Deformation Parameters With a Dynamic Scheimpflug Analyzer.

Science.gov (United States)

Roberts, Cynthia J; Mahmoud, Ashraf M; Bons, Jeffrey P; Hossain, Arif; Elsheikh, Ahmed; Vinciguerra, Riccardo; Vinciguerra, Paolo; Ambrósio, Renato

2017-04-01

To investigate two new stiffness parameters and their relationships with the dynamic corneal response (DCR) parameters and compare normal and keratoconic eyes. Stiffness parameters are defined as Resultant Pressure at inward applanation (A1) divided by corneal displacement. Stiffness parameter A1 uses displacement between the undeformed cornea and A1 and stiffness parameter highest concavity (HC) uses displacement from A1 to maximum deflection during HC. The spatial and temporal profiles of the Corvis ST (Oculus Optikgeräte, Wetzlar, Germany) air puff were characterized using hot wire anemometry. An adjusted air pressure impinging on the cornea at A1 (adjAP1) and an algorithm to biomechanically correct intraocular pressure based on finite element modelling (bIOP) were used for Resultant Pressure calculation (adjAP1 - bIOP). Linear regression analyses between DCR parameters and stiffness parameters were performed on a retrospective dataset of 180 keratoconic eyes and 482 normal eyes. DCR parameters from a subset of 158 eyes of 158 patients in each group were matched for bIOP and compared using t tests. A P value of less than .05 was considered statistically significant. All DCR parameters evaluated showed significant differences between normal and keratoconic eyes, except peak distance. Keratoconic eyes had lower stiffness parameter values, thinner pachymetry, shorter applanation lengths, greater absolute values of applanation velocities, earlier A1 times and later second applanation times, greater HC deformation amplitudes and HC deflection amplitudes, and lower HC radius of concave curvature (greater concave curvature). Most DCR parameters showed a significant relationship with both stiffness parameters in both groups. Keratoconic eyes demonstrated less resistance to deformation than normal eyes with similar IOP. The stiffness parameters may be useful in future biomechanical studies as potential biomarkers. [J Refract Surg. 2017;33(4):266-273.]. Copyright 2017

Parameter Estimation of Partial Differential Equation Models.

Science.gov (United States)

Xun, Xiaolei; Cao, Jiguo; Mallick, Bani; Carroll, Raymond J; Maity, Arnab

2013-01-01

Partial differential equation (PDE) models are commonly used to model complex dynamic systems in applied sciences such as biology and finance. The forms of these PDE models are usually proposed by experts based on their prior knowledge and understanding of the dynamic system. Parameters in PDE models often have interesting scientific interpretations, but their values are often unknown, and need to be estimated from the measurements of the dynamic system in the present of measurement errors. Most PDEs used in practice have no analytic solutions, and can only be solved with numerical methods. Currently, methods for estimating PDE parameters require repeatedly solving PDEs numerically under thousands of candidate parameter values, and thus the computational load is high. In this article, we propose two methods to estimate parameters in PDE models: a parameter cascading method and a Bayesian approach. In both methods, the underlying dynamic process modeled with the PDE model is represented via basis function expansion. For the parameter cascading method, we develop two nested levels of optimization to estimate the PDE parameters. For the Bayesian method, we develop a joint model for data and the PDE, and develop a novel hierarchical model allowing us to employ Markov chain Monte Carlo (MCMC) techniques to make posterior inference. Simulation studies show that the Bayesian method and parameter cascading method are comparable, and both outperform other available methods in terms of estimation accuracy. The two methods are demonstrated by estimating parameters in a PDE model from LIDAR data.

Selection of noise parameters for Kalman filter

Institute of Scientific and Technical Information of China (English)

Ka-Veng Yuen; Ka-In Hoi; Kai-Meng Mok

2007-01-01

The Bayesian probabilistic approach is proposed to estimate the process noise and measurement noise parameters for a Kalman filter. With state vectors and covariance matrices estimated by the Kalman filter, the likehood of the measurements can be constructed as a function of the process noise and measurement noise parameters. By maximizing the likklihood function with respect to these noise parameters, the optimal values can be obtained. Furthermore, the Bayesian probabilistic approach allows the associated uncertainty to be quantified. Examples using a single-degree-of-freedom system and a ten-story building illustrate the proposed method. The effect on the performance of the Kalman filter due to the selection of the process noise and measurement noise parameters was demonstrated. The optimal values of the noise parameters were found to be close to the actual values in the sense that the actual parameters were in the region with significant probability density. Through these examples, the Bayesian approach was shown to have the capability to provide accurate estimates of the noise parameters of the Kalman filter, and hence for state estimation.

Multi-objective optimization in quantum parameter estimation

Science.gov (United States)

Gong, BeiLi; Cui, Wei

2018-04-01

We investigate quantum parameter estimation based on linear and Kerr-type nonlinear controls in an open quantum system, and consider the dissipation rate as an unknown parameter. We show that while the precision of parameter estimation is improved, it usually introduces a significant deformation to the system state. Moreover, we propose a multi-objective model to optimize the two conflicting objectives: (1) maximizing the Fisher information, improving the parameter estimation precision, and (2) minimizing the deformation of the system state, which maintains its fidelity. Finally, simulations of a simplified ɛ-constrained model demonstrate the feasibility of the Hamiltonian control in improving the precision of the quantum parameter estimation.

Physiological Parameters Database for Older Adults

Data.gov (United States)

U.S. Environmental Protection Agency — The Physiological Parameters Database for Older Adults is available for download and contains physiological parameters values for healthy older human adults (age 60...

William H. Taft High School Project HOLA 1983-1984. O.E.A. Evaluation Report.

Science.gov (United States)

New York City Board of Education, Brooklyn, NY. Office of Educational Evaluation.

This report evaluates Project HOLA, in its first year of funding, which provides instruction in English as a second language, Spanish language skills, and bilingual instruction in mathematics, science, and social studies to approximately 230 students in a high school in Bronx, New York. The report examines the project's long- and short-range…

LMFBR plant parameters 1991

International Nuclear Information System (INIS)

1991-03-01

The document has been prepared on the basis of information provided by the members of the IAEA International Working Group on Fast Reactors (IWGFR). It contains updated parameters of 27 experimental, prototype and commercial size liquid metal fast breeder reactors (LMFBRs). Most of the reactors are currently in operation, under construction or in an advanced planning stage. Parameters of the Clinch River Breeder Reactor (USA), PEC (Italy), RAPSODIE (France), DFR (UK) and EFFBR (USA) are included in the report because of their important role in the development of LMFBR technology from first LMFBRs to the prototype size fast reactors. Two more reactors appeared in the list: European Fast Reactor (EFR) and PRISM (USA). Parameters of these reactors included in this publication are based on the data from the papers presented at the 23rd Annual Meeting of the IWGFR. All in all more than four hundred corrections and additions have been made to update the document. The report is intended for specialists and institutions in industrialized and developing countries who are responsible for the design and operation of liquid metal fast breeder reactors

A Tool for Parameter-space Explorations

Science.gov (United States)

Murase, Yohsuke; Uchitane, Takeshi; Ito, Nobuyasu

A software for managing simulation jobs and results, named "OACIS", is presented. It controls a large number of simulation jobs executed in various remote servers, keeps these results in an organized way, and manages the analyses on these results. The software has a web browser front end, and users can submit various jobs to appropriate remote hosts from a web browser easily. After these jobs are finished, all the result files are automatically downloaded from the computational hosts and stored in a traceable way together with the logs of the date, host, and elapsed time of the jobs. Some visualization functions are also provided so that users can easily grasp the overview of the results distributed in a high-dimensional parameter space. Thus, OACIS is especially beneficial for the complex simulation models having many parameters for which a lot of parameter searches are required. By using API of OACIS, it is easy to write a code that automates parameter selection depending on the previous simulation results. A few examples of the automated parameter selection are also demonstrated.

Optimisation of milling parameters using neural network

Directory of Open Access Journals (Sweden)

Lipski Jerzy

2017-01-01

Full Text Available The purpose of this study was to design and test an intelligent computer software developed with the purpose of increasing average productivity of milling not compromising the design features of the final product. The developed system generates optimal milling parameters based on the extent of tool wear. The introduced optimisation algorithm employs a multilayer model of a milling process developed in the artificial neural network. The input parameters for model training are the following: cutting speed vc, feed per tooth fz and the degree of tool wear measured by means of localised flank wear (VB3. The output parameter is the surface roughness of a machined surface Ra. Since the model in the neural network exhibits good approximation of functional relationships, it was applied to determine optimal milling parameters in changeable tool wear conditions (VB3 and stabilisation of surface roughness parameter Ra. Our solution enables constant control over surface roughness parameters and productivity of milling process after each assessment of tool condition. The recommended parameters, i.e. those which applied in milling ensure desired surface roughness and maximal productivity, are selected from all the parameters generated by the model. The developed software may constitute an expert system supporting a milling machine operator. In addition, the application may be installed on a mobile device (smartphone, connected to a tool wear diagnostics instrument and the machine tool controller in order to supply updated optimal parameters of milling. The presented solution facilitates tool life optimisation and decreasing tool change costs, particularly during prolonged operation.

Free flight in parameter space

DEFF Research Database (Denmark)

Dahlstedt, Palle; Nilsson, Per Anders

2008-01-01

with continuous interpolation between population members. With a suitable sound engine, the system forms a surprisingly expressive performance instrument, used by the electronic free impro duo pantoMorf in concerts and recording sessions over the last year.......The well-known difficulty of controlling many synthesis parameters in performance, for exploration and expression, is addressed. Inspired by interactive evolution, random vectors in parameter space are assigned to an array of pressure sensitive pads. Vectors are scaled with pressure and added...... to define the current point in parameter space. Vectors can be scaled globally, allowing exploration of the whole space or minute timberal expression. The vector origin can be shifted at any time, allowing exploration of subspaces. In essence, this amounts to mutation-based interactive evolution...

Examining the Functional Specification of Two-Parameter Model under Location and Scale Parameter Condition

OpenAIRE

Nakashima, Takahiro

2006-01-01

The functional specification of mean-standard deviation approach is examined under location and scale parameter condition. Firstly, the full set of restrictions imposed on the mean-standard deviation function under the location and scale parameter condition are made clear. Secondly, the examination based on the restrictions mentioned in the previous sentence derives the new properties of the mean-standard deviation function on the applicability of additive separability and the curvature of ex...

Transmission Electron Microscope Measures Lattice Parameters

Science.gov (United States)

Pike, William T.

1996-01-01

Convergent-beam microdiffraction (CBM) in thermionic-emission transmission electron microscope (TEM) is technique for measuring lattice parameters of nanometer-sized specimens of crystalline materials. Lattice parameters determined by use of CBM accurate to within few parts in thousand. Technique developed especially for use in quantifying lattice parameters, and thus strains, in epitaxial mismatched-crystal-lattice multilayer structures in multiple-quantum-well and other advanced semiconductor electronic devices. Ability to determine strains in indivdual layers contributes to understanding of novel electronic behaviors of devices.

Robust Parameter Coordination for Multidisciplinary Design

Institute of Scientific and Technical Information of China (English)

无

2006-01-01

This paper introduced a robust parameter coordination method to analyze parameter uncertainties so as to predict conflicts and coordinate parameters in multidisciplinary design. The proposed method is based on constraints network, which gives a formulated model to analyze the coupling effects between design variables and product specifications. In this model, interval boxes are adopted to describe the uncertainty of design parameters quantitatively to enhance the design robustness. To solve this constraint network model, a general consistent algorithm framework is designed and implemented with interval arithmetic and the genetic algorithm, which can deal with both algebraic and ordinary differential equations. With the help of this method, designers could infer the consistent solution space from the given specifications. A case study involving the design of a bogie dumping system demonstrates the usefulness of this approach.

ESTIMATION ACCURACY OF EXPONENTIAL DISTRIBUTION PARAMETERS

Directory of Open Access Journals (Sweden)

muhammad zahid rashid

2011-04-01

Full Text Available The exponential distribution is commonly used to model the behavior of units that have a constant failure rate. The two-parameter exponential distribution provides a simple but nevertheless useful model for the analysis of lifetimes, especially when investigating reliability of technical equipment.This paper is concerned with estimation of parameters of the two parameter (location and scale exponential distribution. We used the least squares method (LSM, relative least squares method (RELS, ridge regression method (RR,  moment estimators (ME, modified moment estimators (MME, maximum likelihood estimators (MLE and modified maximum likelihood estimators (MMLE. We used the mean square error MSE, and total deviation TD, as measurement for the comparison between these methods. We determined the best method for estimation using different values for the parameters and different sample sizes

SYVAC3 parameter distribution package

Energy Technology Data Exchange (ETDEWEB)

Andres, T; Skeet, A

1995-01-01

SYVAC3 (Systems Variability Analysis Code, generation 3) is a computer program that implements a method called systems variability analysis to analyze the behaviour of a system in the presence of uncertainty. This method is based on simulating the system many times to determine the variation in behaviour it can exhibit. SYVAC3 specializes in systems representing the transport of contaminants, and has several features to simplify the modelling of such systems. It provides a general tool for estimating environmental impacts from the dispersal of contaminants. This report describes a software object type (a generalization of a data type) called Parameter Distribution. This object type is used in SYVAC3, and can also be used independently. Parameter Distribution has the following subtypes: beta distribution; binomial distribution; constant distribution; lognormal distribution; loguniform distribution; normal distribution; piecewise uniform distribution; Triangular distribution; and uniform distribution. Some of these distributions can be altered by correlating two parameter distribution objects. This report provides complete specifications for parameter distributions, and also explains how to use them. It should meet the needs of casual users, reviewers, and programmers who wish to add their own subtypes. (author). 30 refs., 75 tabs., 56 figs.

Incorporating Nuisance Parameters in Likelihoods for Multisource Spectra

CERN Document Server

Conway, J.S.

2011-01-01

We describe here the general mathematical approach to constructing likelihoods for fitting observed spectra in one or more dimensions with multiple sources, including the effects of systematic uncertainties represented as nuisance parameters, when the likelihood is to be maximized with respect to these parameters. We consider three types of nuisance parameters: simple multiplicative factors, source spectra "morphing" parameters, and parameters representing statistical uncertainties in the predicted source spectra.

Calculation of Optical Parameters of Liquid Crystals

Science.gov (United States)

Kumar, A.

2007-12-01

Validation of a modified four-parameter model describing temperature effect on liquid crystal refractive indices is being reported in the present article. This model is based upon the Vuks equation. Experimental data of ordinary and extraordinary refractive indices for two liquid crystal samples MLC-9200-000 and MLC-6608 are used to validate the above-mentioned theoretical model. Using these experimental data, birefringence, order parameter, normalized polarizabilities, and the temperature gradient of refractive indices are determined. Two methods: directly using birefringence measurements and using Haller's extrapolation procedure are adopted for the determination of order parameter. Both approches of order parameter calculation are compared. The temperature dependences of all these parameters are discussed. A close agreement between theory and experiment is obtained.

Parameter Estimation of Partial Differential Equation Models

KAUST Repository

Xun, Xiaolei

2013-09-01

Partial differential equation (PDE) models are commonly used to model complex dynamic systems in applied sciences such as biology and finance. The forms of these PDE models are usually proposed by experts based on their prior knowledge and understanding of the dynamic system. Parameters in PDE models often have interesting scientific interpretations, but their values are often unknown and need to be estimated from the measurements of the dynamic system in the presence of measurement errors. Most PDEs used in practice have no analytic solutions, and can only be solved with numerical methods. Currently, methods for estimating PDE parameters require repeatedly solving PDEs numerically under thousands of candidate parameter values, and thus the computational load is high. In this article, we propose two methods to estimate parameters in PDE models: a parameter cascading method and a Bayesian approach. In both methods, the underlying dynamic process modeled with the PDE model is represented via basis function expansion. For the parameter cascading method, we develop two nested levels of optimization to estimate the PDE parameters. For the Bayesian method, we develop a joint model for data and the PDE and develop a novel hierarchical model allowing us to employ Markov chain Monte Carlo (MCMC) techniques to make posterior inference. Simulation studies show that the Bayesian method and parameter cascading method are comparable, and both outperform other available methods in terms of estimation accuracy. The two methods are demonstrated by estimating parameters in a PDE model from long-range infrared light detection and ranging data. Supplementary materials for this article are available online. © 2013 American Statistical Association.

Some properties of 2-D dielectric-based ENG/MNG material parameters extracted using the S-parameter method

DEFF Research Database (Denmark)

Wu, Yunqiu; Arslanagic, Samel

This work presents a systematic investigation of material parameters for two-dimensional epsilon-negative (ENG) and mu-negative (MNG) materials as obtained by the scattering parameter method. The unit cell consists of infinite dielectric cylinders, their sizes and permittivities are chosen...... to enable the ENG and MNG behaviors. For the both configurations, the permittivity and the permeability is reported. Influence of several effects on the extracted material parameters is examined, including the loss inside the cylinders and the size of the unit cells...

The Sensitivity of the Input Impedance Parameters of Track Circuits to Changes in the Parameters of the Track

Directory of Open Access Journals (Sweden)

Lubomir Ivanek

2017-01-01

Full Text Available This paper deals with the sensitivity of the input impedance of an open track circuit in the event that the parameters of the track are changed. Weather conditions and the state of pollution are the most common reasons for parameter changes. The results were obtained from the measured values of the parameters R (resistance, G (conductance, L (inductance, and C (capacitance of a rail superstructure depending on the frequency. Measurements were performed on a railway siding in Orlova. The results are used to design a predictor of occupancy of a track section. In particular, we were interested in the frequencies of 75 and 275 Hz for this purpose. Many parameter values of track substructures have already been solved in different works in literature. At first, we had planned to use the parameter values from these sources when we designed the predictor. Deviations between them, however, are large and often differ by three orders of magnitude (see Tab.8. From this perspective, this article presents data that have been updated using modern measurement devices and computer technology. And above all, it shows a transmission (cascade matrix used to determine the parameters.

Performance Parameters for Grid-Connected PV Systems

Energy Technology Data Exchange (ETDEWEB)

Marion, B.; Adelstein, J.; Boyle, K.; Hayden, H.; Hammond, B.; Fletcher, T.; Canada, B.; Narang, D.; Shugar, D.; Wenger, H.; Kimber, A.; Mitchell, L.; Rich, G.; Townsend, T.

2005-02-01

The use of appropriate performance parameters facilitates the comparison of grid-connected photovoltaic (PV) systems that may differ with respect to design, technology, or geographic location. Four performance parameters that define the overall system performance with respect to the energy production, solar resource, and overall effect of system losses are the following: final PV system yield, reference yield, performance ratio, and PVUSA rating. These performance parameters are discussed for their suitability in providing desired information for PV system design and performance evaluation and are demonstrated for a variety of technologies, designs, and geographic locations. Also discussed are methodologies for determining system a.c. power ratings in the design phase using multipliers developed from measured performance parameters.The use of appropriate performance parameters facilitates the comparison of grid-connected photovoltaic (PV) systems that may differ with respect to design, technology, or geographic location. Four performance parameters that define the overall system performance with respect to the energy production, solar resource, and overall effect of system losses are the following: final PV system yield, reference yield, performance ratio, and PVUSA rating. These performance parameters are discussed for their suitability in providing desired information for PV system design and performance evaluation and are demonstrated for a variety of technologies, designs, and geographic locations. Also discussed are methodologies for determining system a.c. power ratings in the design phase using multipliers developed from measured performance parameters.

An analytical-numerical approach for parameter determination of a five-parameter single-diode model of photovoltaic cells and modules

Science.gov (United States)

Hejri, Mohammad; Mokhtari, Hossein; Azizian, Mohammad Reza; Söder, Lennart

2016-04-01

Parameter extraction of the five-parameter single-diode model of solar cells and modules from experimental data is a challenging problem. These parameters are evaluated from a set of nonlinear equations that cannot be solved analytically. On the other hand, a numerical solution of such equations needs a suitable initial guess to converge to a solution. This paper presents a new set of approximate analytical solutions for the parameters of a five-parameter single-diode model of photovoltaic (PV) cells and modules. The proposed solutions provide a good initial point which guarantees numerical analysis convergence. The proposed technique needs only a few data from the PV current-voltage characteristics, i.e. open circuit voltage Voc, short circuit current Isc and maximum power point current and voltage Im; Vm making it a fast and low cost parameter determination technique. The accuracy of the presented theoretical I-V curves is verified by experimental data.

Parameter Estimation for Thurstone Choice Models

Energy Technology Data Exchange (ETDEWEB)

Vojnovic, Milan [London School of Economics (United Kingdom); Yun, Seyoung [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-04-24

We consider the estimation accuracy of individual strength parameters of a Thurstone choice model when each input observation consists of a choice of one item from a set of two or more items (so called top-1 lists). This model accommodates the well-known choice models such as the Luce choice model for comparison sets of two or more items and the Bradley-Terry model for pair comparisons. We provide a tight characterization of the mean squared error of the maximum likelihood parameter estimator. We also provide similar characterizations for parameter estimators defined by a rank-breaking method, which amounts to deducing one or more pair comparisons from a comparison of two or more items, assuming independence of these pair comparisons, and maximizing a likelihood function derived under these assumptions. We also consider a related binary classification problem where each individual parameter takes value from a set of two possible values and the goal is to correctly classify all items within a prescribed classification error. The results of this paper shed light on how the parameter estimation accuracy depends on given Thurstone choice model and the structure of comparison sets. In particular, we found that for unbiased input comparison sets of a given cardinality, when in expectation each comparison set of given cardinality occurs the same number of times, for a broad class of Thurstone choice models, the mean squared error decreases with the cardinality of comparison sets, but only marginally according to a diminishing returns relation. On the other hand, we found that there exist Thurstone choice models for which the mean squared error of the maximum likelihood parameter estimator can decrease much faster with the cardinality of comparison sets. We report empirical evaluation of some claims and key parameters revealed by theory using both synthetic and real-world input data from some popular sport competitions and online labor platforms.

Visual exploration of parameter influence on phylogenetic trees.

Science.gov (United States)

Hess, Martin; Bremm, Sebastian; Weissgraeber, Stephanie; Hamacher, Kay; Goesele, Michael; Wiemeyer, Josef; von Landesberger, Tatiana

2014-01-01

Evolutionary relationships between organisms are frequently derived as phylogenetic trees inferred from multiple sequence alignments (MSAs). The MSA parameter space is exponentially large, so tens of thousands of potential trees can emerge for each dataset. A proposed visual-analytics approach can reveal the parameters' impact on the trees. Given input trees created with different parameter settings, it hierarchically clusters the trees according to their structural similarity. The most important clusters of similar trees are shown together with their parameters. This view offers interactive parameter exploration and automatic identification of relevant parameters. Biologists applied this approach to real data of 16S ribosomal RNA and protein sequences of ion channels. It revealed which parameters affected the tree structures. This led to a more reliable selection of the best trees.

Multi-parameters scanning in HTI media

KAUST Repository

Masmoudi, Nabil

2014-08-05

Building credible anisotropy models is crucial in imaging. One way to estimate anisotropy parameters is to relate them analytically to traveltime, which is challenging in inhomogeneous media. Using perturbation theory, we develop traveltime approximations for transversely isotropic media with horizontal symmetry axis (HTI) as explicit functions of the anellipticity parameter η and the symmetry axis azimuth ϕ in inhomogeneous background media. Specifically, our expansion assumes an inhomogeneous elliptically anisotropic background medium, which may be obtained from well information and stacking velocity analysis in HTI media. This formulation has advantages on two fronts: on one hand, it alleviates the computational complexity associated with solving the HTI eikonal equation, and on the other hand, it provides a mechanism to scan for the best fitting parameters η and ϕ without the need for repetitive modeling of traveltimes, because the traveltime coefficients of the expansion are independent of the perturbed parameters η and ϕ. The accuracy of our expansion is further enhanced by the use of shanks transform. We show the effectiveness of our scheme with tests on a 3D model and we propose an approach for multi-parameters scanning in TI media.

Multi-parameters scanning in HTI media

KAUST Repository

Masmoudi, Nabil; Alkhalifah, Tariq Ali

2014-01-01

Building credible anisotropy models is crucial in imaging. One way to estimate anisotropy parameters is to relate them analytically to traveltime, which is challenging in inhomogeneous media. Using perturbation theory, we develop traveltime approximations for transversely isotropic media with horizontal symmetry axis (HTI) as explicit functions of the anellipticity parameter η and the symmetry axis azimuth ϕ in inhomogeneous background media. Specifically, our expansion assumes an inhomogeneous elliptically anisotropic background medium, which may be obtained from well information and stacking velocity analysis in HTI media. This formulation has advantages on two fronts: on one hand, it alleviates the computational complexity associated with solving the HTI eikonal equation, and on the other hand, it provides a mechanism to scan for the best fitting parameters η and ϕ without the need for repetitive modeling of traveltimes, because the traveltime coefficients of the expansion are independent of the perturbed parameters η and ϕ. The accuracy of our expansion is further enhanced by the use of shanks transform. We show the effectiveness of our scheme with tests on a 3D model and we propose an approach for multi-parameters scanning in TI media.

Reionization history and CMB parameter estimation

International Nuclear Information System (INIS)

Dizgah, Azadeh Moradinezhad; Kinney, William H.; Gnedin, Nickolay Y.

2013-01-01

We study how uncertainty in the reionization history of the universe affects estimates of other cosmological parameters from the Cosmic Microwave Background. We analyze WMAP7 data and synthetic Planck-quality data generated using a realistic scenario for the reionization history of the universe obtained from high-resolution numerical simulation. We perform parameter estimation using a simple sudden reionization approximation, and using the Principal Component Analysis (PCA) technique proposed by Mortonson and Hu. We reach two main conclusions: (1) Adopting a simple sudden reionization model does not introduce measurable bias into values for other parameters, indicating that detailed modeling of reionization is not necessary for the purpose of parameter estimation from future CMB data sets such as Planck. (2) PCA analysis does not allow accurate reconstruction of the actual reionization history of the universe in a realistic case

Reionization history and CMB parameter estimation

Energy Technology Data Exchange (ETDEWEB)

Dizgah, Azadeh Moradinezhad; Gnedin, Nickolay Y.; Kinney, William H.

2013-05-01

We study how uncertainty in the reionization history of the universe affects estimates of other cosmological parameters from the Cosmic Microwave Background. We analyze WMAP7 data and synthetic Planck-quality data generated using a realistic scenario for the reionization history of the universe obtained from high-resolution numerical simulation. We perform parameter estimation using a simple sudden reionization approximation, and using the Principal Component Analysis (PCA) technique proposed by Mortonson and Hu. We reach two main conclusions: (1) Adopting a simple sudden reionization model does not introduce measurable bias into values for other parameters, indicating that detailed modeling of reionization is not necessary for the purpose of parameter estimation from future CMB data sets such as Planck. (2) PCA analysis does not allow accurate reconstruction of the actual reionization history of the universe in a realistic case.

A parametric reconstruction of the deceleration parameter

Energy Technology Data Exchange (ETDEWEB)

Al Mamon, Abdulla [Manipal University, Manipal Centre for Natural Sciences, Manipal (India); Visva-Bharati, Department of Physics, Santiniketan (India); Das, Sudipta [Visva-Bharati, Department of Physics, Santiniketan (India)

2017-07-15

The present work is based on a parametric reconstruction of the deceleration parameter q(z) in a model for the spatially flat FRW universe filled with dark energy and non-relativistic matter. In cosmology, the parametric reconstruction technique deals with an attempt to build up a model by choosing some specific evolution scenario for a cosmological parameter and then estimate the values of the parameters with the help of different observational datasets. In this paper, we have proposed a logarithmic parametrization of q(z) to probe the evolution history of the universe. Using the type Ia supernova, baryon acoustic oscillation and the cosmic microwave background datasets, the constraints on the arbitrary model parameters q{sub 0} and q{sub 1} are obtained (within 1σ and 2σ confidence limits) by χ{sup 2}-minimization technique. We have then reconstructed the deceleration parameter, the total EoS parameter ω{sub tot}, the jerk parameter and have compared the reconstructed results of q(z) with other well-known parametrizations of q(z). We have also shown that two model selection criteria (namely, the Akaike information criterion and Bayesian information criterion) provide a clear indication that our reconstructed model is well consistent with other popular models. (orig.)

Learning regularization parameters for general-form Tikhonov

International Nuclear Information System (INIS)

Chung, Julianne; Español, Malena I

2017-01-01

Computing regularization parameters for general-form Tikhonov regularization can be an expensive and difficult task, especially if multiple parameters or many solutions need to be computed in real time. In this work, we assume training data is available and describe an efficient learning approach for computing regularization parameters that can be used for a large set of problems. We consider an empirical Bayes risk minimization framework for finding regularization parameters that minimize average errors for the training data. We first extend methods from Chung et al (2011 SIAM J. Sci. Comput. 33 3132–52) to the general-form Tikhonov problem. Then we develop a learning approach for multi-parameter Tikhonov problems, for the case where all involved matrices are simultaneously diagonalizable. For problems where this is not the case, we describe an approach to compute near-optimal regularization parameters by using operator approximations for the original problem. Finally, we propose a new class of regularizing filters, where solutions correspond to multi-parameter Tikhonov solutions, that requires less data than previously proposed optimal error filters, avoids the generalized SVD, and allows flexibility and novelty in the choice of regularization matrices. Numerical results for 1D and 2D examples using different norms on the errors show the effectiveness of our methods. (paper)

Behavioural Pattern of Causality Parameter of Autoregressive ...

African Journals Online (AJOL)

In this paper, a causal form of Autoregressive Moving Average process, ARMA (p, q) of various orders and behaviour of the causality parameter of ARMA model is investigated. It is deduced that the behaviour of causality parameter ψi depends on positive and negative values of autoregressive parameter φ and moving ...

Partial solvation parameters and LSER molecular descriptors

International Nuclear Information System (INIS)

Panayiotou, Costas

2012-01-01

Graphical abstract: The one-to-one correspondence of LSER molecular descriptors and partial solvation parameters (PSPs) for propionic acid. Highlights: ► Quantum-mechanics based development of a new QSPR predictive method. ► One-to-one correspondence of partial solvation parameters and LSER molecular descriptors. ► Development of alternative routes for the determination of partial solvation parameters and solubility parameters. ► Expansion and enhancement of solubility parameter approach. - Abstract: The partial solvation parameters (PSP) have been defined recently, on the basis of the insight derived from modern quantum chemical calculations, in an effort to overcome some of the inherent restrictions of the original definition of solubility parameter and expand its range of applications. The present work continues along these lines and introduces two new solvation parameters, the van der Waals and the polarity/refractivity ones, which may replace both of the former dispersion and polar PSPs. Thus, one may use either the former scheme of PSPs (dispersion, polar, acidic, and basic) or, equivalently, the new scheme (van der Waals, polarity/refractivity, acidic, basic). The new definitions are made in a simple and straightforward manner and, thus, the strength and appeal of the widely accepted concept of solubility parameter is preserved. The inter-relations of the various PSPs are critically discussed and their values are tabulated for a variety of common substances. The advantage of the new scheme of PSPs is the bridge that makes with the corresponding Abraham’s LSER descriptors. With this bridge, one may exchange information between PSPs, LSER experimental scales, and quantum mechanics calculations such as via the COSMO-RS theory. The proposed scheme is a predictive one and it is applicable to, both, homo-solvated and hetero-solvated compounds. The new scheme is tested for the calculation of activity coefficients at infinite dilution, for octanol

Multilevel resonance parameters of 241Pu

International Nuclear Information System (INIS)

Weston, L.W.; Todd, J.H.

1978-01-01

The data previously reported by the authors on the neutron fission and capture cross sections of 241 Pu were simultaneously fit with the Adler formalism to obtain multilevel resonance parameters. The neutron energy range of the fit was 0.01 to 100 eV. The 241 Pu cross sections in the resonance region of neutron energies are complex, and the Adler parameters present an efficient method of representing these cross sections, which are important for plutonium-fueled reactors. The parameters represent the data to an accuracy within the quoted experimental errors. 5 figures, 2 tables

Deductive multiscale simulation using order parameters

Science.gov (United States)

Ortoleva, Peter J.

2017-05-16

Illustrative embodiments of systems and methods for the deductive multiscale simulation of macromolecules are disclosed. In one illustrative embodiment, a deductive multiscale simulation method may include (i) constructing a set of order parameters that model one or more structural characteristics of a macromolecule, (ii) simulating an ensemble of atomistic configurations for the macromolecule using instantaneous values of the set of order parameters, (iii) simulating thermal-average forces and diffusivities for the ensemble of atomistic configurations, and (iv) evolving the set of order parameters via Langevin dynamics using the thermal-average forces and diffusivities.

Choice of the parameters of the cusum algorithms for parameter estimation in the markov modulated poisson process

OpenAIRE

Burkatovskaya, Yuliya Borisovna; Kabanova, T.; Khaustov, Pavel Aleksandrovich

2016-01-01

CUSUM algorithm for controlling chain state switching in the Markov modulated Poissonprocess was investigated via simulation. Recommendations concerning the parameter choice were givensubject to characteristics of the process. Procedure of the process parameter estimation was described.

Design parameters of Tokamak-7 system

International Nuclear Information System (INIS)

Ivanov, D.P.; Keilin, V.E.; Klimenko, E.Yu.; Strelkov, V.S.

Superconducting windings for the main magnetic field of Tokamak-7 are discussed. The parameters of this facility are based on the use of commercially available superconducting materials for fields up to 80 kOe. Experimental parameters are described. (U.S.)

[Diagnostic value of quantitative pharmacokinetic parameters and relative quantitative pharmacokinetic parameters in breast lesions with dynamic contrast-enhanced MRI].

Science.gov (United States)

Sun, T T; Liu, W H; Zhang, Y Q; Li, L H; Wang, R; Ye, Y Y

2017-08-01

Objective: To explore the differential between the value of dynamic contrast-enhanced MRI quantitative pharmacokinetic parameters and relative pharmacokinetic quantitative parameters in breast lesions. Methods: Retrospective analysis of 255 patients(262 breast lesions) who was obtained by clinical palpation , ultrasound or full-field digital mammography , and then all lessions were pathologically confirmed in Zhongda Hospital, Southeast University from May 2012 to May 2016. A 3.0 T MRI scanner was used to obtain the quantitative MR pharmacokinetic parameters: volume transfer constant (K(trans)), exchange rate constant (k(ep))and extravascular extracellular volume fraction (V(e)). And measured the quantitative pharmacokinetic parameters of normal glands tissues which on the same side of the same level of the lesions; and then calculated the value of relative pharmacokinetic parameters: rK(rans)、rk(ep) and rV(e).To explore the diagnostic value of two pharmacokinetic parameters in differential diagnosis of benign and malignant breast lesions using receiver operating curves and model of logistic regression. Results: (1)There were significant differences between benign lesions and malignant lesions in K(trans) and k(ep) ( t =15.489, 15.022, respectively, P 0.05). The areas under the ROC curve(AUC)of K(trans), k(ep) and V(e) between malignant and benign lesions were 0.933, 0.948 and 0.387, the sensitivity of K(trans), k(ep) and V(e) were 77.1%, 85.0%, 51.0% , and the specificity of K(trans), k(ep) and V(e) were 96.3%, 93.6%, 60.8% for the differential diagnosis of breast lesions if taken the maximum Youden's index as cut-off. (2)There were significant differences between benign lesions and malignant lesions in rK(trans), rk(ep) and rV(e) ( t =14.177, 11.726, 2.477, respectively, P quantitative pharmacokinetic parameters and the prediction probability of relative quantitative pharmacokinetic parameters( Z =0.867, P =0.195). Conclusion: There was no significant

Photovoltaic module parameters acquisition model

Energy Technology Data Exchange (ETDEWEB)

Cibira, Gabriel, E-mail: cibira@lm.uniza.sk; Koščová, Marcela, E-mail: mkoscova@lm.uniza.sk

2014-09-01

Highlights: • Photovoltaic five-parameter model is proposed using Matlab{sup ®} and Simulink. • The model acquisits input sparse data matrix from stigmatic measurement. • Computer simulations lead to continuous I–V and P–V characteristics. • Extrapolated I–V and P–V characteristics are in hand. • The model allows us to predict photovoltaics exploitation in different conditions. - Abstract: This paper presents basic procedures for photovoltaic (PV) module parameters acquisition using MATLAB and Simulink modelling. In first step, MATLAB and Simulink theoretical model are set to calculate I–V and P–V characteristics for PV module based on equivalent electrical circuit. Then, limited I–V data string is obtained from examined PV module using standard measurement equipment at standard irradiation and temperature conditions and stated into MATLAB data matrix as a reference model. Next, the theoretical model is optimized to keep-up with the reference model and to learn its basic parameters relations, over sparse data matrix. Finally, PV module parameters are deliverable for acquisition at different realistic irradiation, temperature conditions as well as series resistance. Besides of output power characteristics and efficiency calculation for PV module or system, proposed model validates computing statistical deviation compared to reference model.

Photovoltaic module parameters acquisition model

International Nuclear Information System (INIS)

Cibira, Gabriel; Koščová, Marcela

2014-01-01

Highlights: • Photovoltaic five-parameter model is proposed using Matlab ® and Simulink. • The model acquisits input sparse data matrix from stigmatic measurement. • Computer simulations lead to continuous I–V and P–V characteristics. • Extrapolated I–V and P–V characteristics are in hand. • The model allows us to predict photovoltaics exploitation in different conditions. - Abstract: This paper presents basic procedures for photovoltaic (PV) module parameters acquisition using MATLAB and Simulink modelling. In first step, MATLAB and Simulink theoretical model are set to calculate I–V and P–V characteristics for PV module based on equivalent electrical circuit. Then, limited I–V data string is obtained from examined PV module using standard measurement equipment at standard irradiation and temperature conditions and stated into MATLAB data matrix as a reference model. Next, the theoretical model is optimized to keep-up with the reference model and to learn its basic parameters relations, over sparse data matrix. Finally, PV module parameters are deliverable for acquisition at different realistic irradiation, temperature conditions as well as series resistance. Besides of output power characteristics and efficiency calculation for PV module or system, proposed model validates computing statistical deviation compared to reference model

On parameter estimation in deformable models

DEFF Research Database (Denmark)

Fisker, Rune; Carstensen, Jens Michael

1998-01-01

Deformable templates have been intensively studied in image analysis through the last decade, but despite its significance the estimation of model parameters has received little attention. We present a method for supervised and unsupervised model parameter estimation using a general Bayesian form...

The influence of model parameters on catchment-response

International Nuclear Information System (INIS)

Shah, S.M.S.; Gabriel, H.F.; Khan, A.A.

2002-01-01

This paper deals with the study of influence of influence of conceptual rainfall-runoff model parameters on catchment response (runoff). A conceptual modified watershed yield model is employed to study the effects of model-parameters on catchment-response, i.e. runoff. The model is calibrated, using manual parameter-fitting approach, also known as trial and error parameter-fitting. In all, there are twenty one (21) parameters that control the functioning of the model. A lumped parametric approach is used. The detailed analysis was performed on Ling River near Kahuta, having catchment area of 56 sq. miles. The model includes physical parameters like GWSM, PETS, PGWRO, etc. fitting coefficients like CINF, CGWS, etc. and initial estimates of the surface-water and groundwater storages i.e. srosp and gwsp. Sensitivity analysis offers a good way, without repetititious computations, the proper weight and consideration that must be taken when each of the influencing factor is evaluated. Sensitivity-analysis was performed to evaluate the influence of model-parameters on runoff. The sensitivity and relative contributions of model parameters influencing catchment-response are studied. (author)

Multiplicity distributions in impact parameter space

International Nuclear Information System (INIS)

Wakano, Masami

1976-01-01

A definition for the average multiplicity of pions as a function of momentum transfer and total energy in the high energy proton-proton collisions is proposed by using the n-pion production differential cross section with the given momentum transfer from a proton to other final products and the given energy of the latter. Contributions from nondiffractive and diffractive processes are formulated in a multi-Regge model. We define a relationship between impact parameter and momentum transfer in the sense of classical theory for inelastic processes and we obtain the average multiplicity of pions as a function of impact parameter and total energy from the corresponding quantity afore-mentioned. By comparing this quantity with the square root of the opaqueness at given impact parameter, we conclude that the overlap of localized constituents is important in determining the opaqueness at given impact parameter in a collision of two hadrons. (auth.)

Correlation between quantitative and semiquantitative parameters in DCE-MRI with a blood pool agent in rectal cancer: can semiquantitative parameters be used as a surrogate for quantitative parameters?

Science.gov (United States)

Dijkhoff, Rebecca A P; Maas, Monique; Martens, Milou H; Papanikolaou, Nikolaos; Lambregts, Doenja M J; Beets, Geerard L; Beets-Tan, Regina G H

2017-05-01

The aim of this study was to assess correlation between quantitative and semiquantitative parameters in dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) in rectal cancer patients, both in a primary staging and restaging setting. Nineteen patients were included with DCE-MRI before and/or after neoadjuvant therapy. DCE-MRI was performed with gadofosveset trisodium (Ablavar ® , Lantheus Medical Imaging, North Billerica, Massachusetts, USA). Regions of interest were placed in the tumor and quantitative parameters were extracted with Olea Sphere 2.2 software permeability module using the extended Tofts model. Semiquantitative parameters were calculated on a pixel-by-pixel basis. Spearman rank correlation tests were used for assessment of correlation between parameters. A p value ≤0.05 was considered statistically significant. Strong positive correlations were found between mean peak enhancement and mean K trans : 0.79 (all patients, prectal cancer. Peak enhancement correlates strongly with K trans and wash-in showed strong correlation with V p and K ep . These parameters have been reported to predict tumor aggressiveness and response in rectal cancer. Therefore, semiquantitative analyses might be a surrogate for quantitative analyses.

LMFBR plant parameters

International Nuclear Information System (INIS)

1985-07-01

This document has been prepared on the basis of information compiled by the members of the IAEA International Working Group on Fast Reactors (IWGFR). It contains parameters of 25 experimental, prototype and commercial size liquid metal fast breeder reactors (LMFBR). Most of the reactors are currently in operation, under construction or in an advanced planning stage. Parameters of the Clinch River Breeder Reactor (USA) are presented because its design was nearly finished and most of the components were fabricated at the time when the project was terminated. Three reactors (RAPSODIE (France), DFR (UK) and EFFBR (USA)) have been shut down. However, they are included in the report because of their important role in the development of LMFBR technology from first LMFBRs to the prototype size fast reactors. The first LMFBRs (CLEMENTINE (USA), EBR-1 (USA), BR-2 (USSR), BR-5 (USSR)) and very special reactors (LAMPRE (USA), SEFOR (USA)) were not recommended by the members of the IWGFR to be included in the report

A new Bayesian recursive technique for parameter estimation

Science.gov (United States)

Kaheil, Yasir H.; Gill, M. Kashif; McKee, Mac; Bastidas, Luis

2006-08-01

The performance of any model depends on how well its associated parameters are estimated. In the current application, a localized Bayesian recursive estimation (LOBARE) approach is devised for parameter estimation. The LOBARE methodology is an extension of the Bayesian recursive estimation (BARE) method. It is applied in this paper on two different types of models: an artificial intelligence (AI) model in the form of a support vector machine (SVM) application for forecasting soil moisture and a conceptual rainfall-runoff (CRR) model represented by the Sacramento soil moisture accounting (SAC-SMA) model. Support vector machines, based on statistical learning theory (SLT), represent the modeling task as a quadratic optimization problem and have already been used in various applications in hydrology. They require estimation of three parameters. SAC-SMA is a very well known model that estimates runoff. It has a 13-dimensional parameter space. In the LOBARE approach presented here, Bayesian inference is used in an iterative fashion to estimate the parameter space that will most likely enclose a best parameter set. This is done by narrowing the sampling space through updating the "parent" bounds based on their fitness. These bounds are actually the parameter sets that were selected by BARE runs on subspaces of the initial parameter space. The new approach results in faster convergence toward the optimal parameter set using minimum training/calibration data and fewer sets of parameter values. The efficacy of the localized methodology is also compared with the previously used BARE algorithm.

Parameter identification of civil engineering structures

Science.gov (United States)

Juang, J. N.; Sun, C. T.

1980-01-01

This paper concerns the development of an identification method required in determining structural parameter variations for systems subjected to an extended exposure to the environment. The concept of structural identifiability of a large scale structural system in the absence of damping is presented. Three criteria are established indicating that a large number of system parameters (the coefficient parameters of the differential equations) can be identified by a few actuators and sensors. An eight-bay-fifteen-story frame structure is used as example. A simple model is employed for analyzing the dynamic response of the frame structure.

The Importance of Vocal Parameters Correlation

Directory of Open Access Journals (Sweden)

Valentin Ghisa

2016-06-01

Full Text Available To analyze communication we need to study the main parameters that describe the vocal sounds from the point of view of information content transfer efficiency. In this paper we analyze the physical quality of the “on air" information transfer, according to the audio streaming parameters and from the particular phonetic nature of the human factor. Applying this statistical analysis we aim to identify and record the correlation level of the acoustical parameters with the vocal ones and the impact which the presence of this cross-correlation can have on communication structures’ improvement.

MXLKID: a maximum likelihood parameter identifier

International Nuclear Information System (INIS)

Gavel, D.T.

1980-07-01

MXLKID (MaXimum LiKelihood IDentifier) is a computer program designed to identify unknown parameters in a nonlinear dynamic system. Using noisy measurement data from the system, the maximum likelihood identifier computes a likelihood function (LF). Identification of system parameters is accomplished by maximizing the LF with respect to the parameters. The main body of this report briefly summarizes the maximum likelihood technique and gives instructions and examples for running the MXLKID program. MXLKID is implemented LRLTRAN on the CDC7600 computer at LLNL. A detailed mathematical description of the algorithm is given in the appendices. 24 figures, 6 tables

Reduction of coupling parameters and duality

International Nuclear Information System (INIS)

Oehme, R.; Max-Planck-Institut fuer Physik, Muenchen

2000-01-01

The general method of the reduction in the number of coupling parameters is discussed. Using renormalization group invariance, theories with several independent couplings are related to a set of theories with a single coupling parameter. The reduced theories may have particular symmetries, or they may not be related to any known symmetry. The method is more general than the imposition of invariance properties. Usually, there are only a few reduced theories with an asymptotic power series expansion corresponding to a renormalizable Lagrangian. There also exist 'general' solutions containing non-integer powers and sometimes logarithmic factors. As an example for the use of the reduction method, the dual magnetic theories associated with certain supersymmetric gauge theories are discussed. They have a superpotential with a Yukawa coupling parameter. This parameter is expressed as a function of the gauge coupling. Given some standard conditions, a unique, isolated power series solution of the reduction equations is obtained. After reparameterization, the Yukawa coupling is proportional to the square of the gauge coupling parameter. The coefficient is given explicitly in terms of the numbers of colors and flavors. 'General' solutions with non-integer powers are also discussed. A brief list is given of other applications of the reduction method. (orig.)

Parameters Evaluation of PLC Dependability and Safety

Directory of Open Access Journals (Sweden)

Juraj Zdansky

2006-01-01

Full Text Available This paper is focused on evaluation of dependability and safety parameters of PLC (Programmable Logic Controller. Achievement of requested level of these parameters is an application assumption for using PLC in control of safety critical processes. Evaluation of these parameters can be made on the base of suitable model and it can be influenced by system architecture when necessary.

Geological mapping of the vertical southeast face of El Capitan, Yosemite Valley, California (Invited)

Science.gov (United States)

Stock, G. M.; Glazner, A. F.; Ratajeski, K.; Law, B.

2010-12-01

El Capitan in Yosemite Valley, California, is one of the world’s most accessible large granitic rock faces. At nearly 1 km tall, the vertical southeast face of El Capitan provides unique insight into igneous processes contributing to the assembly of the Sierra Nevada batholith ~103 million years ago. Although the base and summit dome of El Capitan have been mapped in detail, the vertical face has so far eluded comprehensive attempts at geologic mapping. We have combined field mapping by technical rock climbing with high-resolution gigapixel photography to develop the first detailed digital geologic map of the southeast face (North America Wall). Geologic units exposed on the face include the El Capitan and Taft Granites, at least two phases of dioritic intrusions, hybridized rocks, and late-stage aplite/pegmatite dikes and pods. We map these units on a high resolution far-range base image derived from a high-resolution panoramic photograph, and verify contact relationships with close-range field photographs and visual observations from anchor points along major climbing routes. Mapping of contact relationships between these units reveals the sequence of intrusion of the various units, as well as the relationship of the mafic intrusions with the more voluminous granites. Geologic mapping of the southeast face also informs geologic hazards by constraining the source area for lithologically distinct rock falls; for example, geologic mapping confirms that a 2.2 x 106 m3 rock avalanche that occurred circa 3,600 years ago originated from near the summit of El Capitan, within an area dominated by Taft Granite. In addition to expanding mapping to the southwest face, future mapping efforts will focus on integrating the high resolution base map with airborne and terrestrial LiDAR data to produce a three-dimensional geologic map of one of the most iconic rock formations in the world.

Nanohydroxyapatite synthesis using optimized process parameters ...

Indian Academy of Sciences (India)

3Energy Research Group, School of Engineering, Taylor's University, 47500 ... influence of different ultrasonication parameters on the prop- ... to evaluate multiple process parameters and their interaction. ..... dent and dependent variables by a 3-D representation of .... The intensities of O–H functional groups are seen to.

Statistical Inference for Data Adaptive Target Parameters.

Science.gov (United States)

Hubbard, Alan E; Kherad-Pajouh, Sara; van der Laan, Mark J

2016-05-01

Consider one observes n i.i.d. copies of a random variable with a probability distribution that is known to be an element of a particular statistical model. In order to define our statistical target we partition the sample in V equal size sub-samples, and use this partitioning to define V splits in an estimation sample (one of the V subsamples) and corresponding complementary parameter-generating sample. For each of the V parameter-generating samples, we apply an algorithm that maps the sample to a statistical target parameter. We define our sample-split data adaptive statistical target parameter as the average of these V-sample specific target parameters. We present an estimator (and corresponding central limit theorem) of this type of data adaptive target parameter. This general methodology for generating data adaptive target parameters is demonstrated with a number of practical examples that highlight new opportunities for statistical learning from data. This new framework provides a rigorous statistical methodology for both exploratory and confirmatory analysis within the same data. Given that more research is becoming "data-driven", the theory developed within this paper provides a new impetus for a greater involvement of statistical inference into problems that are being increasingly addressed by clever, yet ad hoc pattern finding methods. To suggest such potential, and to verify the predictions of the theory, extensive simulation studies, along with a data analysis based on adaptively determined intervention rules are shown and give insight into how to structure such an approach. The results show that the data adaptive target parameter approach provides a general framework and resulting methodology for data-driven science.

Calculation of electromagnetic parameter based on interpolation algorithm

International Nuclear Information System (INIS)

Zhang, Wenqiang; Yuan, Liming; Zhang, Deyuan

2015-01-01

Wave-absorbing material is an important functional material of electromagnetic protection. The wave-absorbing characteristics depend on the electromagnetic parameter of mixed media. In order to accurately predict the electromagnetic parameter of mixed media and facilitate the design of wave-absorbing material, based on the electromagnetic parameters of spherical and flaky carbonyl iron mixture of paraffin base, this paper studied two different interpolation methods: Lagrange interpolation and Hermite interpolation of electromagnetic parameters. The results showed that Hermite interpolation is more accurate than the Lagrange interpolation, and the reflectance calculated with the electromagnetic parameter obtained by interpolation is consistent with that obtained through experiment on the whole. - Highlights: • We use interpolation algorithm on calculation of EM-parameter with limited samples. • Interpolation method can predict EM-parameter well with different particles added. • Hermite interpolation is more accurate than Lagrange interpolation. • Calculating RL based on interpolation is consistent with calculating RL from experiment

Parameter estimation in X-ray astronomy

International Nuclear Information System (INIS)

Lampton, M.; Margon, B.; Bowyer, S.

1976-01-01

The problems of model classification and parameter estimation are examined, with the objective of establishing the statistical reliability of inferences drawn from X-ray observations. For testing the validities of classes of models, the procedure based on minimizing the chi 2 statistic is recommended; it provides a rejection criterion at any desired significance level. Once a class of models has been accepted, a related procedure based on the increase of chi 2 gives a confidence region for the values of the model's adjustable parameters. The procedure allows the confidence level to be chosen exactly, even for highly nonlinear models. Numerical experiments confirm the validity of the prescribed technique.The chi 2 /sub min/+1 error estimation method is evaluated and found unsuitable when several parameter ranges are to be derived, because it substantially underestimates their joint errors. The ratio of variances method, while formally correct, gives parameter confidence regions which are more variable than necessary

Near-infrared fluorescence glucose sensing based on glucose/galactose-binding protein coupled to 651-Blue Oxazine

Energy Technology Data Exchange (ETDEWEB)

Khan, Faaizah; Pickup, John C., E-mail: john.pickup@kcl.ac.uk

2013-08-30

Highlights: •We showed that the NIR fluorophore, 651-Blue Oxazine, is solvatochromic (polarity sensitive). •Blue Oxazine was covalently attached to mutants of glucose/galactose-binding protein (GBP). •Fluorescence intensity of GBP-Blue Oxazine increased with addition of glucose. •Fluorescence from bead-immobilised GBP-Blue Oxazine was detectable through skin in vitro. •This shows proof-of-concept for non-invasive glucose sensing using GBP-Blue Oxazine. -- Abstract: Near-infrared (NIR) fluorescent dyes that are environmentally sensitive or solvatochromic are useful tools for protein labelling in in vivo biosensor applications such as glucose monitoring in diabetes since their spectral properties are mostly independent of tissue autofluorescence and light scattering, and they offer potential for non-invasive analyte sensing. We showed that the fluorophore 651-Blue Oxazine is polarity-sensitive, with a marked reduction in NIR fluorescence on increasing solvent polarity. Mutants of glucose/galactose-binding protein (GBP) used as the glucose receptor were site-specifically and covalently labelled with Blue Oxazine using click chemistry. Mutants H152C/A213R and H152C/A213R/L238S showed fluorescence increases of 15% and 21% on addition of saturating glucose concentrations and binding constants of 6 and 25 mM respectively. Fluorescence responses to glucose were preserved when GBP-Blue Oxazine was immobilised to agarose beads, and the beads were excited by NIR light through a mouse skin preparation studied in vitro. We conclude GBP-Blue Oxazine shows proof-of-concept as a non-invasive continuous glucose sensing system.

Highly selective probe based on imine linkage for Zn{sup 2+} and HSO{sub 3}{sup −} in mixed aqueous media

Energy Technology Data Exchange (ETDEWEB)

Kaur, Kamaljot; Chaudhary, Savita; Singh, Sukhjinder; Mehta, S.K., E-mail: skmehta@pu.ac.in

2015-04-15

A simple salicylaldehyde derived Schiff base N, N′- bis (p-chloro salicylidene)-1, 2- ethylenediamine (L) was synthesized and characterized. The receptor demonstrates simultaneous dual channel chromogenic and fluorogenic signaling towards HSO{sub 3}{sup −} and Zn{sup 2+} in mixed aqueous media. Solvatochromism was employed systematically for modulating its optoelectronic properties. The probe was successfully assessed to monitor HSO{sub 3}{sup −} detection via UV–vis spectroscopy. DFT calculations and {sup 1}H NMR spectroscopy further support the results based on shifting of equilibrium. Moreover, the sensor showed large fluorescence enhancement with blue-shift of 48 nm after addition of Zn{sup 2+}. The probe exhibits high selectivity over other competitive ions with high detection limit of 6.54×10{sup −5} M and 3.21×10{sup −6} M for HSO{sub 3}{sup −} and Zn{sup 2+}, respectively. Importantly, this is one of the rare reports in which Schiff base was utilized for the fabrication of chromogenic or fluorogenic sensor using solvent effect for multianalyte detection. - Highlights: • Easy synthesis of highly selective and sensitive Salicylideneaniline moiety. • Solvatochromism induced tautomerism between the enol-imine and keto-amine forms. • Computational studies revealing the effect of solvent on stability of NH form. • Discriminative detection of HSO{sub 3}{sup −} and Zn{sup 2+} by different spectroscopic techniques. • Optical feedbacks as absorption transitions with HSO{sub 3}{sup −} on bisulphite adduct formation. • Fluorescence enhancement for Zn{sup 2+} based on imine binding mechanism.

QUALITY PARAMETERS IN NANOTECHNOLOGIC APPLICATIONS

Directory of Open Access Journals (Sweden)

Ayşegül Akdoğan Eker

2013-06-01

Full Text Available Nanotechnology concept which has added a new dimension to our lives in recent years, is finding a place in every sector day by day. The combined effect of nanotechnology is almost equal to the industrial revolution of last 200 years and have is able to fill all developments in a few years. However this development should be taken under control. Otherwise unstoppable new structures will not ease life but will be a problem for humanity. For this purpose, the main parameters (from the start up stage of nano-technologic applications to the obtained product should be checked. These parameters are actually not different than the adaptation of the classical quality indicators for nanotechnology applications. Especially it plays an important role in obtaining a uniform distribution and regarding the features of the end product in nano-technological ceramic and etc. applications. The most important problem faced in particles of that size is the accumulation they create. Another problem is the increasing friction force as size gets smaller. The friction force of asubstance increases proportionally with the cube of its surface area. Another problem is surface tension. The increasing surface tension due to increasing surface area will cause the particles to attract and stick to each other. The structures aimed to be obtained are mostly complex and especially in upwards approach, it is thermodynamically very hard for the atoms to get into that order. Therefore in this announcement, we stated the quality parameters that will be taken into consideration in nano-technological applications and the methods for obtaining those parameters. The aim is to explain these parameters with all dimensions so that they will lead the way to the future nano-technological applications.

Calculation of shielding parameters

International Nuclear Information System (INIS)

Montoya Z, J.

1994-01-01

With the propose of reduce the hazard to radiation, exist three basic factors: a) time, the time to exposition to working person inside to area, from exist determined speed the doses, is proportional of the time permanence; b) distance, the reduce to doses is inverse square of the distance to exposition point; c) building, consist to interpose between source and exposition point to material. The main aspect development to the analysis of parameters distance and building. The analysis consist to development of the mathematical implicit, in the model of source radioactive, beginning with the geometry to source, distance to exposition source, and configuration building. In the final part was realize one comparative studied to calculus of parameters to blinding, employs two codes CPBGAM and MICROSHIELD, the first made as part to work thesis. The point source its a good approximation to any one real source, but in the majority of the time to propose analysis the spatial distribution of the source must realized in explicit way. The buildings calculus in volumetry's source can be approximate begin's of plan as source adaptations. It's important to have present that not only the building exist the exposition to the radiation, and the parameters time and distance plays an important paper too. (Author)

Numerical identifiability of the parameters of induction machines

Energy Technology Data Exchange (ETDEWEB)

Corcoles, F.; Pedra, J.; Salichs, M. [Dep. d' Eng. Electrica ETSEIB. UPC, Barcelona (Spain)

2000-08-01

This paper analyses the numerical identifiability of the electrical parameters of induction machines. Relations between parameters and the impossibility to estimate all of them - when only external measures are used: voltage, current, speed and torque - are shown. Formulations of the single and double-cage induction machine, with and without core losses in both models, are developed. The proposed solution is the formulation of machine equations by using the minimum number of parameters (which are identifiable parameters). As an application example, the parameters of a double-cage induction machine are identified using steady-state measurements corresponding to different angular speeds. (orig.)

Integral parameters of crystal field for RE spectra

International Nuclear Information System (INIS)

Kustov, E.F.; Maketov, T.K.; Prgevudsky, A.K.; Steczko, G.

1980-01-01

The integral parameters of the crystal field are introduced for the interpretation of the spectra of RE ions in various crystals. The main formula of the method, the expression of the parameters for various states of Ce, Pr, Nd, Eu, Tb, Er, Tu, and Yb are determined. Integral parameters of A 2 , A 4 , A 6 and parameter of the spin-orbit interaction xi are calculated for 40 laser crystals with Nd, Er. An interpretation of the symmetry of the Eu 3+ centres of the NaBaZn silicate glass is given using integral parameters A 2 , A 4 . (author)

Exploiting intrinsic fluctuations to identify model parameters.

Science.gov (United States)

Zimmer, Christoph; Sahle, Sven; Pahle, Jürgen

2015-04-01

Parameterisation of kinetic models plays a central role in computational systems biology. Besides the lack of experimental data of high enough quality, some of the biggest challenges here are identification issues. Model parameters can be structurally non-identifiable because of functional relationships. Noise in measured data is usually considered to be a nuisance for parameter estimation. However, it turns out that intrinsic fluctuations in particle numbers can make parameters identifiable that were previously non-identifiable. The authors present a method to identify model parameters that are structurally non-identifiable in a deterministic framework. The method takes time course recordings of biochemical systems in steady state or transient state as input. Often a functional relationship between parameters presents itself by a one-dimensional manifold in parameter space containing parameter sets of optimal goodness. Although the system's behaviour cannot be distinguished on this manifold in a deterministic framework it might be distinguishable in a stochastic modelling framework. Their method exploits this by using an objective function that includes a measure for fluctuations in particle numbers. They show on three example models, immigration-death, gene expression and Epo-EpoReceptor interaction, that this resolves the non-identifiability even in the case of measurement noise with known amplitude. The method is applied to partially observed recordings of biochemical systems with measurement noise. It is simple to implement and it is usually very fast to compute. This optimisation can be realised in a classical or Bayesian fashion.

Determining extreme parameter correlation in ground water models

DEFF Research Database (Denmark)

Hill, Mary Cole; Østerby, Ole

2003-01-01

can go undetected even by experienced modelers. Extreme parameter correlation can be detected using parameter correlation coefficients, but their utility depends on the presence of sufficient, but not excessive, numerical imprecision of the sensitivities, such as round-off error. This work...... investigates the information that can be obtained from parameter correlation coefficients in the presence of different levels of numerical imprecision, and compares it to the information provided by an alternative method called the singular value decomposition (SVD). Results suggest that (1) calculated...... correlation coefficients with absolute values that round to 1.00 were good indicators of extreme parameter correlation, but smaller values were not necessarily good indicators of lack of correlation and resulting unique parameter estimates; (2) the SVD may be more difficult to interpret than parameter...

Systematics of nuclear level density parameters

International Nuclear Information System (INIS)

Bucurescu, Dorel; Egidy, Till von

2005-01-01

The level density parameters for the back-shifted Fermi gas (both without and with energy-dependent level density parameter) and the constant temperature models have been determined for 310 nuclei between 18 F and 251 Cf by fitting the complete level schemes at low excitation energies and the s-wave neutron resonance spacings at the neutron binding energies. Simple formulae are proposed for the description of the two parameters of each of these models, which involve only quantities available from the mass tables. These formulae may constitute a reliable tool for extrapolating to nuclei far from stability, where nuclear level densities cannot be measured

Supersymmetry Parameter Analysis : SPA Convention and Project

CERN Document Server

Aguilar-Saavedra, J A; Allanach, Benjamin C; Arnowitt, R; Baer, H A; Bagger, J A; Balázs, C; Barger, V; Barnett, M; Bartl, Alfred; Battaglia, M; Bechtle, P; Belyaev, A; Berger, E L; Blair, G; Boos, E; Bélanger, G; Carena, M S; Choi, S Y; Deppisch, F; Desch, Klaus; Djouadi, A; Dutta, B; Dutta, S; Díaz, M A; Eberl, H; Ellis, Jonathan Richard; Erler, Jens; Fraas, H; Freitas, A; Fritzsche, T; Godbole, Rohini M; Gounaris, George J; Guasch, J; Gunion, J F; Haba, N; Haber, Howard E; Hagiwara, K; Han, L; Han, T; He, H J; Heinemeyer, S; Hesselbach, S; Hidaka, K; Hinchliffe, Ian; Hirsch, M; Hohenwarter-Sodek, K; Hollik, W; Hou, W S; Hurth, Tobias; Jack, I; Jiang, Y; Jones, D R T; Kalinowski, Jan; Kamon, T; Kane, G; Kang, S K; Kernreiter, T; Kilian, W; Kim, C S; King, S F; Kittel, O; Klasen, M; Kneur, J L; Kovarik, K; Kraml, Sabine; Krämer, M; Lafaye, R; Langacker, P; Logan, H E; Ma, W G; Majerotto, Walter; Martyn, H U; Matchev, K; Miller, D J; Mondragon, M; Moortgat-Pick, G; Moretti, S; Mori, T; Moultaka, G; Muanza, S; Mukhopadhyaya, B; Mühlleitner, M M; Nauenberg, U; Nojiri, M M; Nomura, D; Nowak, H; Okada, N; Olive, Keith A; Oller, W; Peskin, M; Plehn, T; Polesello, G; Porod, Werner; Quevedo, Fernando; Rainwater, D L; Reuter, J; Richardson, P; Rolbiecki, K; de Roeck, A; Weber, Ch.

2006-01-01

High-precision analyses of supersymmetry parameters aim at reconstructing the fundamental supersymmetric theory and its breaking mechanism. A well defined theoretical framework is needed when higher-order corrections are included. We propose such a scheme, Supersymmetry Parameter Analysis SPA, based on a consistent set of conventions and input parameters. A repository for computer programs is provided which connect parameters in different schemes and relate the Lagrangian parameters to physical observables at LHC and high energy e+e- linear collider experiments, i.e., masses, mixings, decay widths and production cross sections for supersymmetric particles. In addition, programs for calculating high-precision low energy observables, the density of cold dark matter (CDM) in the universe as well as the cross sections for CDM search experiments are included. The SPA scheme still requires extended efforts on both the theoretical and experimental side before data can be evaluated in the future at the level of the d...

Determination and structural correlation of the pKa values of p-substituted trans-2,3-epoxy-4-oxo-4-phenylbutanoic acids

Directory of Open Access Journals (Sweden)

I. JURANIC

2000-11-01

Full Text Available The pKa values for a series of eight p-substituted trans-2,3-epoxy-4-phenyl butanoic acids (p-substituted trans-b-aroylepoxyacrylic acids have been determined potentiometrically in aqueous media at 25°C at an ionic strength of 0.1 mol/dm3 (NaCl. The transmission of polar effects from the substituents on the phenyl nucleus to the carboxylic group through the side chain involving a carbonyl group and an epoxide ring was investigated. The pKa values were correlated with structure using the Hammett, Taft and Yukawa-Tsuno approaches. The Hammett r constant (0.34 was compared with analogue values for structurally similar acids.

Reading and understanding employee benefit plan financial statements.

Science.gov (United States)

Lee, David C; Van Sertima, Michael A

2004-03-01

If your employee benefit plan has more than 100 participants, chances are you've had to work your way through the audited financial statements you're required to include with your Form 5500 filing. These statements contain a wealth of information about the financial health of your plan, and understanding them is an important fiduciary responsibility. To strengthen your grasp of financial statements, this article gives an overview that will make a plan's financial statements more informative, explains their basic structure and provides information on some of the more arcane aspects (such as actuarial tables). While this article focuses on Taft-Hartley (multiemployer) plans, much of it applies to other types of employee benefit plans.

Topological Substituent Descriptors

Directory of Open Access Journals (Sweden)

Mircea V. DIUDEA

2002-12-01

Full Text Available Motivation. Substituted 1,3,5-triazines are known as useful herbicidal substances. In view of reducing the cost of biological screening, computational methods are carried out for evaluating the biological activity of organic compounds. Often a class of bioactives differs only in the substituent attached to a basic skeleton. In such cases substituent descriptors will give the same prospecting results as in case of using the whole molecule description, but with significantly reduced computational time. Such descriptors are useful in describing steric effects involved in chemical reactions. Method. Molecular topology is the method used for substituent description and multi linear regression analysis as a statistical tool. Results. Novel topological descriptors, XLDS and Ws, based on the layer matrix of distance sums and walks in molecular graphs, respectively, are proposed for describing the topology of substituents linked on a chemical skeleton. They are tested for modeling the esterification reaction in the class of benzoic acids and herbicidal activity of 2-difluoromethylthio-4,6-bis(monoalkylamino-1,3,5-triazines. Conclusions. Ws substituent descriptor, based on walks in graph, satisfactorily describes the steric effect of alkyl substituents behaving in esterification reaction, with good correlations to the Taft and Charton steric parameters, respectively. Modeling the herbicidal activity of the seo of 1,3,5-triazines exceeded the models reported in literature, so far.

Key parameters analysis of hybrid HEMP simulator

International Nuclear Information System (INIS)

Mao Congguang; Zhou Hui

2009-01-01

According to the new standards on the high-altitude electromagnetic pulse (HEMP) developed by International Electrotechnical Commission (IEC), the target parameter requirements of the key structure of the hybrid HEMP simulator are decomposed. Firstly, the influences of the different excitation sources and biconical structures to the key parameters of the radiated electric field wave shape are investigated and analyzed. Then based on the influence curves the target parameter requirements of the pulse generator are proposed. Finally the appropriate parameters of the biconical structure and the excitation sources are chosen, and the computational result of the electric field in free space is presented. The results are of great value for the design of the hybrid HEMP simulator. (authors)

Hecke algebras with unequal parameters

CERN Document Server

Lusztig, G

2003-01-01

Hecke algebras arise in representation theory as endomorphism algebras of induced representations. One of the most important classes of Hecke algebras is related to representations of reductive algebraic groups over p-adic or finite fields. In 1979, in the simplest (equal parameter) case of such Hecke algebras, Kazhdan and Lusztig discovered a particular basis (the KL-basis) in a Hecke algebra, which is very important in studying relations between representation theory and geometry of the corresponding flag varieties. It turned out that the elements of the KL-basis also possess very interesting combinatorial properties. In the present book, the author extends the theory of the KL-basis to a more general class of Hecke algebras, the so-called algebras with unequal parameters. In particular, he formulates conjectures describing the properties of Hecke algebras with unequal parameters and presents examples verifying these conjectures in particular cases. Written in the author's precise style, the book gives rese...

Catalogue of HI PArameters (CHIPA)

Science.gov (United States)

Saponara, J.; Benaglia, P.; Koribalski, B.; Andruchow, I.

2015-08-01

The catalogue of HI parameters of galaxies HI (CHIPA) is the natural continuation of the compilation by M.C. Martin in 1998. CHIPA provides the most important parameters of nearby galaxies derived from observations of the neutral Hydrogen line. The catalogue contains information of 1400 galaxies across the sky and different morphological types. Parameters like the optical diameter of the galaxy, the blue magnitude, the distance, morphological type, HI extension are listed among others. Maps of the HI distribution, velocity and velocity dispersion can also be display for some cases. The main objective of this catalogue is to facilitate the bibliographic queries, through searching in a database accessible from the internet that will be available in 2015 (the website is under construction). The database was built using the open source `` mysql (SQL, Structured Query Language, management system relational database) '', while the website was built with ''HTML (Hypertext Markup Language)'' and ''PHP (Hypertext Preprocessor)''.

Key parameters controlling radiology departments

International Nuclear Information System (INIS)

Busch, Hans-Peter

2011-01-01

For radiology departments and outstanding practises control and optimization of processes demand an efficient management based on key data. Systems of key data deliver indicators for control of medical quality, service quality and economics. For practices effectiveness (productivity), for hospitals effectiveness and efficiency are in the focus of economical optimization strategies. Task of daily key data is continuous monitoring of activities and workflow, task of weekly/monthly key data is control of data quality, process quality and achievement of objectives, task of yearly key data is determination of long term strategies (marketing) and comparison with competitors (benchmarking). Key parameters have to be defined clearly and have to be available directly. For generation, evaluation and control of key parameters suitable forms of organization and processes are necessary. Strategies for the future will be directed more to the total processes of treatment. To think in total processes and to steer and optimize with suitable parameters is the challenge for participants in the healthcare market of the future. (orig.)

Parameter estimation and inverse problems

CERN Document Server

Aster, Richard C; Thurber, Clifford H

2005-01-01

Parameter Estimation and Inverse Problems primarily serves as a textbook for advanced undergraduate and introductory graduate courses. Class notes have been developed and reside on the World Wide Web for faciliting use and feedback by teaching colleagues. The authors'' treatment promotes an understanding of fundamental and practical issus associated with parameter fitting and inverse problems including basic theory of inverse problems, statistical issues, computational issues, and an understanding of how to analyze the success and limitations of solutions to these probles. The text is also a practical resource for general students and professional researchers, where techniques and concepts can be readily picked up on a chapter-by-chapter basis.Parameter Estimation and Inverse Problems is structured around a course at New Mexico Tech and is designed to be accessible to typical graduate students in the physical sciences who may not have an extensive mathematical background. It is accompanied by a Web site that...

Kinetic parameter estimation from attenuated SPECT projection measurements

International Nuclear Information System (INIS)

Reutter, B.W.; Gullberg, G.T.

1998-01-01

Conventional analysis of dynamically acquired nuclear medicine data involves fitting kinetic models to time-activity curves generated from regions of interest defined on a temporal sequence of reconstructed images. However, images reconstructed from the inconsistent projections of a time-varying distribution of radiopharmaceutical acquired by a rotating SPECT system can contain artifacts that lead to biases in the estimated kinetic parameters. To overcome this problem the authors investigated the estimation of kinetic parameters directly from projection data by modeling the data acquisition process. To accomplish this it was necessary to parametrize the spatial and temporal distribution of the radiopharmaceutical within the SPECT field of view. In a simulated transverse slice, kinetic parameters were estimated for simple one compartment models for three myocardial regions of interest, as well as for the liver. Myocardial uptake and washout parameters estimated by conventional analysis of noiseless simulated data had biases ranging between 1--63%. Parameters estimated directly from the noiseless projection data were unbiased as expected, since the model used for fitting was faithful to the simulation. Predicted uncertainties (standard deviations) of the parameters obtained for 500,000 detected events ranged between 2--31% for the myocardial uptake parameters and 2--23% for the myocardial washout parameters

ASTROPHYSICAL PRIOR INFORMATION AND GRAVITATIONAL-WAVE PARAMETER ESTIMATION

International Nuclear Information System (INIS)

Pankow, Chris; Sampson, Laura; Perri, Leah; Chase, Eve; Coughlin, Scott; Zevin, Michael; Kalogera, Vassiliki

2017-01-01

The detection of electromagnetic counterparts to gravitational waves (GWs) has great promise for the investigation of many scientific questions. While it is well known that certain orientation parameters can reduce uncertainty in other related parameters, it was also hoped that the detection of an electromagnetic signal in conjunction with a GW could augment the measurement precision of the mass and spin from the gravitational signal itself. That is, knowledge of the sky location, inclination, and redshift of a binary could break degeneracies between these extrinsic, coordinate-dependent parameters and the physical parameters that are intrinsic to the binary. In this paper, we investigate this issue by assuming perfect knowledge of extrinsic parameters, and assessing the maximal impact of this knowledge on our ability to extract intrinsic parameters. We recover similar gains in extrinsic recovery to earlier work; however, we find only modest improvements in a few intrinsic parameters—namely the primary component’s spin. We thus conclude that, even in the best case, the use of additional information from electromagnetic observations does not improve the measurement of the intrinsic parameters significantly.

ASTROPHYSICAL PRIOR INFORMATION AND GRAVITATIONAL-WAVE PARAMETER ESTIMATION

Energy Technology Data Exchange (ETDEWEB)

Pankow, Chris; Sampson, Laura; Perri, Leah; Chase, Eve; Coughlin, Scott; Zevin, Michael; Kalogera, Vassiliki [Center for Interdisciplinary Exploration and Research in Astrophysics (CIERA) and Department of Physics and Astronomy, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208 (United States)

2017-01-10

The detection of electromagnetic counterparts to gravitational waves (GWs) has great promise for the investigation of many scientific questions. While it is well known that certain orientation parameters can reduce uncertainty in other related parameters, it was also hoped that the detection of an electromagnetic signal in conjunction with a GW could augment the measurement precision of the mass and spin from the gravitational signal itself. That is, knowledge of the sky location, inclination, and redshift of a binary could break degeneracies between these extrinsic, coordinate-dependent parameters and the physical parameters that are intrinsic to the binary. In this paper, we investigate this issue by assuming perfect knowledge of extrinsic parameters, and assessing the maximal impact of this knowledge on our ability to extract intrinsic parameters. We recover similar gains in extrinsic recovery to earlier work; however, we find only modest improvements in a few intrinsic parameters—namely the primary component’s spin. We thus conclude that, even in the best case, the use of additional information from electromagnetic observations does not improve the measurement of the intrinsic parameters significantly.

Determination of complex microcalorimeter parameters with impedance measurements

International Nuclear Information System (INIS)

Saab, T.; Bandler, S.R.; Chervenak, J.; Figueroa-Feliciano, E.; Finkbeiner, F.; Iyomoto, N.; Kelley, R.L.; Kilbourne, C.A.; Lindeman, M.A.; Porter, F.S.; Sadleir, J.

2006-01-01

The proper understanding and modeling of a microcalorimeter's response requires accurate knowledge of a handful of parameters, such as C, G, α. While a few of these parameters are directly determined from the IV characteristics, some others, notoriously the heat capacity (C) and α, appear in degenerate combinations in most measurable quantities. The consideration of a complex microcalorimeter leads to an added ambiguity in the determination of the parameters. In general, the dependence of the microcalorimeter's complex impedance on these various parameters varies with frequency. This dependence allows us to determine individual parameters by fitting the prediction of the microcalorimeter model to impedance data. In this paper we describe efforts at characterizing the Goddard X-ray microcalorimeters. With the parameters determined by this method, we compare the pulse shape and noise spectra predictions to data taken with the same devices

Computerized analysis of brain perfusion parameter images

International Nuclear Information System (INIS)

Turowski, B.; Haenggi, D.; Wittsack, H.J.; Beck, A.; Aurich, V.

2007-01-01

Purpose: The development of a computerized method which allows a direct quantitative comparison of perfusion parameters. The display should allow a clear direct comparison of brain perfusion parameters in different vascular territories and over the course of time. The analysis is intended to be the basis for further evaluation of cerebral vasospasm after subarachnoid hemorrhage (SAH). The method should permit early diagnosis of cerebral vasospasm. Materials and Methods: The Angiotux 2D-ECCET software was developed with a close cooperation between computer scientists and clinicians. Starting from parameter images of brain perfusion, the cortex was marked, segmented and assigned to definite vascular territories. The underlying values were averages for each segment and were displayed in a graph. If a follow-up was available, the mean values of the perfusion parameters were displayed in relation to time. The method was developed under consideration of CT perfusion values but is applicable for other methods of perfusion imaging. Results: Computerized analysis of brain perfusion parameter images allows an immediate comparison of these parameters and follow-up of mean values in a clear and concise manner. Values are related to definite vascular territories. The tabular output facilitates further statistic evaluations. The computerized analysis is precisely reproducible, i. e., repetitions result in exactly the same output. (orig.)

Source term modelling parameters for Project-90

International Nuclear Information System (INIS)

Shaw, W.; Smith, G.; Worgan, K.; Hodgkinson, D.; Andersson, K.

1992-04-01

This document summarises the input parameters for the source term modelling within Project-90. In the first place, the parameters relate to the CALIBRE near-field code which was developed for the Swedish Nuclear Power Inspectorate's (SKI) Project-90 reference repository safety assessment exercise. An attempt has been made to give best estimate values and, where appropriate, a range which is related to variations around base cases. It should be noted that the data sets contain amendments to those considered by KBS-3. In particular, a completely new set of inventory data has been incorporated. The information given here does not constitute a complete set of parameter values for all parts of the CALIBRE code. Rather, it gives the key parameter values which are used in the constituent models within CALIBRE and the associated studies. For example, the inventory data acts as an input to the calculation of the oxidant production rates, which influence the generation of a redox front. The same data is also an initial value data set for the radionuclide migration component of CALIBRE. Similarly, the geometrical parameters of the near-field are common to both sub-models. The principal common parameters are gathered here for ease of reference and avoidance of unnecessary duplication and transcription errors. (au)

Real-Time Parameter Identification

Data.gov (United States)

National Aeronautics and Space Administration — Armstrong researchers have implemented in the control room a technique for estimating in real time the aerodynamic parameters that describe the stability and control...

On the relationship between input parameters in two-mass vocal-fold model with acoustical coupling an signal parameters of the glottal flow

NARCIS (Netherlands)

van Hirtum, Annemie; Lopez, Ines; Hirschberg, Abraham; Pelorson, Xavier

2003-01-01

In this paper the sensitivity of the two-mass model with acoustical coupling to the model input-parameters is assessed. The model-output or the glottal volume air flow is characterised by signal-parameters in the time-domain. The influence of changing input-parameters on the signal-parameters is

Synthesis and Evaluation of Changes Induced by Solvent and Substituent in Electronic Absorption Spectra of New Azo Disperse Dyes Containig Barbiturate Ring

Directory of Open Access Journals (Sweden)

Hooshang Hamidian

2013-01-01

Full Text Available Six azo disperse dyes were prepared by diazotizing 4-amino hippuric acid and coupled with barbituric acid and 2-thiobarbituric acid. Then, the products were reacted with aromatic aldehyde, sodium acetate, and acetic anhydride, and oxazolone derivatives were formed. Characterization of the dyes was carried out by using UV-Vis, FT-IR, 1H NMR and 13C NMR, and mass spectroscopic techniques. The solvatochromic behavior of azo disperse dyes was evaluated in various solvents. The effects of substituents of aromatic aldehyde, barbiturate, and thiobarbiturate ring on the color of dyes were investigated.

Grain filling parameters and yield components in wheat

OpenAIRE

Brdar Milka; Kobiljski Borislav; Balalić-Kraljević Marija

2006-01-01

Grain yield of wheat (Triticum aestivum L.) is influenced by number of grains per unit area and grain weight, which is result of grain filling duration and rate. The aim of the study was to investigate the relationships between grain filling parameters in 4 wheat genotypes of different earliness and yield components. Nonlinear regression estimated and observed parameters were analyzed. Rang of estimated parameters corresponds to rang of observed parameters. Stepwise MANOVA indicated that the ...

Critical parameters for ammonia

International Nuclear Information System (INIS)

Sato, M.; Masui, G.; Uematsu, M.

2005-01-01

(p, ρ, T) measurements and visual observations of the meniscus for ammonia were carried out carefully in the critical region over the range of temperatures: -1 K (T - T c ) 0.04 K, and of densities: -19 kg . m -3 (ρ - ρ c ) 19 kg . m -3 by a metal-bellows volumometer with an optical cell. Vapor pressures were also measured at T = (310, 350, and 400) K. The critical parameters of T c and ρ c were determined based on the results of observation of the critical opalescence. The critical pressure p c was determined from the present measurements at T c on the vapor pressure curve. Comparisons of the critical parameters with values given in the literature are presented

Optimization of Parameters of Asymptotically Stable Systems

Directory of Open Access Journals (Sweden)

Anna Guerman

2011-01-01

Full Text Available This work deals with numerical methods of parameter optimization for asymptotically stable systems. We formulate a special mathematical programming problem that allows us to determine optimal parameters of a stabilizer. This problem involves solutions to a differential equation. We show how to chose the mesh in order to obtain discrete problem guaranteeing the necessary accuracy. The developed methodology is illustrated by an example concerning optimization of parameters for a satellite stabilization system.

Acid-base thermochemistry of gaseous aliphatic α-aminoacids.

Science.gov (United States)

Bouchoux, Guy; Huang, Sihua; Inda, Bhawani Singh

2011-01-14

Acid-base thermochemistry of isolated aliphatic amino acids (denoted AAA): glycine, alanine, valine, leucine, isoleucine and proline has been examined theoretically by quantum chemical computations at the G3MP2B3 level. Conformational analysis on neutral, protonated and deprotonated species has been used to identify the lowest energy conformers and to estimate the population of conformers expected to be present at thermal equilibrium at 298 K. Comparison of the G3MP2B3 theoretical proton affinities, PA, and ΔH(acid) with experimental results is shown to be correct if experimental thermochemistry is re-evaluated and adapted to the most recent acidity-basicity scales. From this point of view, a set of evaluated proton affinities of 887, 902, 915, 916, 919 and 941 kJ mol(-1), and a set of evaluated ΔH(acid) of 1433, 1430, 1423, 1423, 1422 and 1426 kJ mol(-1), is proposed for glycine, alanine, valine, leucine, isoleucine and proline, respectively. Correlations with structural parameters (Taft's σ(α) polarizability parameter and molecular size) suggest that polarizability of the side chain is the major origin of the increase in PA and decrease in ΔH(acid) along the homologous series glycine, alanine, valine and leucine/isoleucine. Heats of formation of gaseous species AAA, AAAH(+) and [AAA-H](-) were computed at the G3MP2B3 level. The present study provides previously unavailable Δ(f)H°(298) for the ionized species AAAH(+) and [AAA-H](-). Comparison with Benson's estimate, and correlation with molecular size, show that several experimental Δ(f)H°(298) values of neutral or gaseous AAA might be erroneous.

Systematic parameter inference in stochastic mesoscopic modeling

Energy Technology Data Exchange (ETDEWEB)

Lei, Huan; Yang, Xiu [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Li, Zhen [Division of Applied Mathematics, Brown University, Providence, RI 02912 (United States); Karniadakis, George Em, E-mail: george_karniadakis@brown.edu [Division of Applied Mathematics, Brown University, Providence, RI 02912 (United States)

2017-02-01

We propose a method to efficiently determine the optimal coarse-grained force field in mesoscopic stochastic simulations of Newtonian fluid and polymer melt systems modeled by dissipative particle dynamics (DPD) and energy conserving dissipative particle dynamics (eDPD). The response surfaces of various target properties (viscosity, diffusivity, pressure, etc.) with respect to model parameters are constructed based on the generalized polynomial chaos (gPC) expansion using simulation results on sampling points (e.g., individual parameter sets). To alleviate the computational cost to evaluate the target properties, we employ the compressive sensing method to compute the coefficients of the dominant gPC terms given the prior knowledge that the coefficients are “sparse”. The proposed method shows comparable accuracy with the standard probabilistic collocation method (PCM) while it imposes a much weaker restriction on the number of the simulation samples especially for systems with high dimensional parametric space. Fully access to the response surfaces within the confidence range enables us to infer the optimal force parameters given the desirable values of target properties at the macroscopic scale. Moreover, it enables us to investigate the intrinsic relationship between the model parameters, identify possible degeneracies in the parameter space, and optimize the model by eliminating model redundancies. The proposed method provides an efficient alternative approach for constructing mesoscopic models by inferring model parameters to recover target properties of the physics systems (e.g., from experimental measurements), where those force field parameters and formulation cannot be derived from the microscopic level in a straight forward way.

Acquisition system of tandem injector parameters

International Nuclear Information System (INIS)

Decourt, M.

1986-01-01

The system centralizes all the parameters belonging to the accelerator injector. The acquisition center system reinforces an original device made of cameras and video receivers. Besides giving access to all the parameters of the ion source, the new system allows, in the ''OSCILLO'' mode, to visualize in real time any channel on the oscilloscope [fr

Planck 2015 results. XIII. Cosmological parameters

CERN Document Server

Ade, P.A.R.; Arnaud, M.; Ashdown, M.; Aumont, J.; Baccigalupi, C.; Banday, A.J.; Barreiro, R.B.; Bartlett, J.G.; Bartolo, N.; Battaner, E.; Battye, R.; Benabed, K.; Benoit, A.; Benoit-Levy, A.; Bernard, J.P.; Bersanelli, M.; Bielewicz, P.; Bonaldi, A.; Bonavera, L.; Bond, J.R.; Borrill, J.; Bouchet, F.R.; Boulanger, F.; Bucher, M.; Burigana, C.; Butler, R.C.; Calabrese, E.; Cardoso, J.F.; Catalano, A.; Challinor, A.; Chamballu, A.; Chary, R.R.; Chiang, H.C.; Chluba, J.; Christensen, P.R.; Church, S.; Clements, D.L.; Colombi, S.; Colombo, L.P.L.; Combet, C.; Coulais, A.; Crill, B.P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R.D.; Davis, R.J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Desert, F.X.; Di Valentino, E.; Dickinson, C.; Diego, J.M.; Dolag, K.; Dole, H.; Donzelli, S.; Dore, O.; Douspis, M.; Ducout, A.; Dunkley, J.; Dupac, X.; Efstathiou, G.; Elsner, F.; Ensslin, T.A.; Eriksen, H.K.; Farhang, M.; Fergusson, J.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A.A.; Franceschi, E.; Frejsel, A.; Galeotta, S.; Galli, S.; Ganga, K.; Gauthier, C.; Gerbino, M.; Ghosh, T.; Giard, M.; Giraud-Heraud, Y.; Giusarma, E.; Gjerlow, E.; Gonzalez-Nuevo, J.; Gorski, K.M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Gudmundsson, J.E.; Hamann, J.; Hansen, F.K.; Hanson, D.; Harrison, D.L.; Helou, G.; Henrot-Versille, S.; Hernandez-Monteagudo, C.; Herranz, D.; Hildebrandt, S.R.; Hivon, E.; Hobson, M.; Holmes, W.A.; Hornstrup, A.; Hovest, W.; Huang, Z.; Huffenberger, K.M.; Hurier, G.; Jaffe, A.H.; Jaffe, T.R.; Jones, W.C.; Juvela, M.; Keihanen, E.; Keskitalo, R.; Kisner, T.S.; Kneissl, R.; Knoche, J.; Knox, L.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lahteenmaki, A.; Lamarre, J.M.; Lasenby, A.; Lattanzi, M.; Lawrence, C.R.; Leahy, J.P.; Leonardi, R.; Lesgourgues, J.; Levrier, F.; Lewis, A.; Liguori, M.; Lilje, P.B.; Linden-Vornle, M.; Lopez-Caniego, M.; Lubin, P.M.; Macias-Perez, J.F.; Maggio, G.; Mandolesi, N.; Mangilli, A.; Marchini, A.; Martin, P.G.; Martinelli, M.; Martinez-Gonzalez, E.; Masi, S.; Matarrese, S.; Mazzotta, P.; McGehee, P.; Meinhold, P.R.; Melchiorri, A.; Melin, J.B.; Mendes, L.; Mennella, A.; Migliaccio, M.; Millea, M.; Mitra, S.; Miville-Deschenes, M.A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Moss, A.; Munshi, D.; Murphy, J.A.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C.B.; Norgaard-Nielsen, H.U.; Noviello, F.; Novikov, D.; Novikov, I.; Oxborrow, C.A.; Paci, F.; Pagano, L.; Pajot, F.; Paladini, R.; Paoletti, D.; Partridge, B.; Pasian, F.; Patanchon, G.; Pearson, T.J.; Perdereau, O.; Perotto, L.; Perrotta, F.; Pettorino, V.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Popa, L.; Pratt, G.W.; Prezeau, G.; Prunet, S.; Puget, J.L.; Rachen, J.P.; Reach, W.T.; Rebolo, R.; Reinecke, M.; Remazeilles, M.; Renault, C.; Renzi, A.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Rossetti, M.; Roudier, G.; d'Orfeuil, B.Rouille; Rowan-Robinson, M.; Rubino-Martin, J.A.; Rusholme, B.; Said, N.; Salvatelli, V.; Salvati, L.; Sandri, M.; Santos, D.; Savelainen, M.; Savini, G.; Scott, D.; Seiffert, M.D.; Serra, P.; Shellard, E.P.S.; Spencer, L.D.; Spinelli, M.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sunyaev, R.; Sutton, D.; Suur-Uski, A.S.; Sygnet, J.F.; Tauber, J.A.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Trombetti, T.; Tucci, M.; Tuovinen, J.; Turler, M.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Wade, L.A.; Wandelt, B.D.; Wehus, I.K.; White, M.; White, S.D.M.; Wilkinson, A.; Yvon, D.; Zacchei, A.; Zonca, A.

2016-01-01

We present results based on full-mission Planck observations of temperature and polarization anisotropies of the CMB. These data are consistent with the six-parameter inflationary LCDM cosmology. From the Planck temperature and lensing data, for this cosmology we find a Hubble constant, H0= (67.8 +/- 0.9) km/s/Mpc, a matter density parameter Omega_m = 0.308 +/- 0.012 and a scalar spectral index with n_s = 0.968 +/- 0.006. (We quote 68% errors on measured parameters and 95% limits on other parameters.) Combined with Planck temperature and lensing data, Planck LFI polarization measurements lead to a reionization optical depth of tau = 0.066 +/- 0.016. Combining Planck with other astrophysical data we find N_ eff = 3.15 +/- 0.23 for the effective number of relativistic degrees of freedom and the sum of neutrino masses is constrained to < 0.23 eV. Spatial curvature is found to be |Omega_K| < 0.005. For LCDM we find a limit on the tensor-to-scalar ratio of r <0.11 consistent with the B-mode constraints fr...

Progress on Chinese evaluated nuclear parameter library (CENPL) (II)

International Nuclear Information System (INIS)

Su Zhongdi; Ge Zhigang; Zhou Chunmei

1993-01-01

CENPL collected, evaluated and compiled nuclear basic constants and model parameters. CENPL-1 contain six sub-libraries, they are: (1) Atomic masses and characteristic constants for nuclear ground states; (2) discrete level schemes and branch ratios of γ decay; (3) level density parameters; (4) giant dipole resonance parameters for γ-ray strength function (5) fission barrier parameter; (6) optical model parameters. Their progresses are introduced

Optimization of surface roughness parameters in dry turning

OpenAIRE

R.A. Mahdavinejad; H. Sharifi Bidgoli

2009-01-01

Purpose: The precision of machine tools on one hand and the input setup parameters on the other hand, are strongly influenced in main output machining parameters such as stock removal, toll wear ratio and surface roughnes.Design/methodology/approach: There are a lot of input parameters which are effective in the variations of these output parameters. In CNC machines, the optimization of machining process in order to predict surface roughness is very important.Findings: From this point of view...

SATELLITE CONSTELLATION DESIGN PARAMETER

Indian Academy of Sciences (India)

First page Back Continue Last page Overview Graphics. SATELLITE CONSTELLATION DESIGN PARAMETER. 1. ORBIT CHARACTERISTICS. ORBITAL HEIGHT >= 20,000 KM. LONGER VISIBILITY; ORBITAL PERIOD. PERTURBATIONS(MINIMUM). SOLAR RADIATION PRESSURE (IMPACTS ECCENTRICITY); LUNI ...

Brute force meets Bruno force in parameter optimisation: introduction of novel constraints for parameter accuracy improvement by symbolic computation.

Science.gov (United States)

Nakatsui, M; Horimoto, K; Lemaire, F; Ürgüplü, A; Sedoglavic, A; Boulier, F

2011-09-01

Recent remarkable advances in computer performance have enabled us to estimate parameter values by the huge power of numerical computation, the so-called 'Brute force', resulting in the high-speed simultaneous estimation of a large number of parameter values. However, these advancements have not been fully utilised to improve the accuracy of parameter estimation. Here the authors review a novel method for parameter estimation using symbolic computation power, 'Bruno force', named after Bruno Buchberger, who found the Gröbner base. In the method, the objective functions combining the symbolic computation techniques are formulated. First, the authors utilise a symbolic computation technique, differential elimination, which symbolically reduces an equivalent system of differential equations to a system in a given model. Second, since its equivalent system is frequently composed of large equations, the system is further simplified by another symbolic computation. The performance of the authors' method for parameter accuracy improvement is illustrated by two representative models in biology, a simple cascade model and a negative feedback model in comparison with the previous numerical methods. Finally, the limits and extensions of the authors' method are discussed, in terms of the possible power of 'Bruno force' for the development of a new horizon in parameter estimation.

Uncertainty in dual permeability model parameters for structured soils

Science.gov (United States)

Arora, B.; Mohanty, B. P.; McGuire, J. T.

2012-01-01

Successful application of dual permeability models (DPM) to predict contaminant transport is contingent upon measured or inversely estimated soil hydraulic and solute transport parameters. The difficulty in unique identification of parameters for the additional macropore- and matrix-macropore interface regions, and knowledge about requisite experimental data for DPM has not been resolved to date. Therefore, this study quantifies uncertainty in dual permeability model parameters of experimental soil columns with different macropore distributions (single macropore, and low- and high-density multiple macropores). Uncertainty evaluation is conducted using adaptive Markov chain Monte Carlo (AMCMC) and conventional Metropolis-Hastings (MH) algorithms while assuming 10 out of 17 parameters to be uncertain or random. Results indicate that AMCMC resolves parameter correlations and exhibits fast convergence for all DPM parameters while MH displays large posterior correlations for various parameters. This study demonstrates that the choice of parameter sampling algorithms is paramount in obtaining unique DPM parameters when information on covariance structure is lacking, or else additional information on parameter correlations must be supplied to resolve the problem of equifinality of DPM parameters. This study also highlights the placement and significance of matrix-macropore interface in flow experiments of soil columns with different macropore densities. Histograms for certain soil hydraulic parameters display tri-modal characteristics implying that macropores are drained first followed by the interface region and then by pores of the matrix domain in drainage experiments. Results indicate that hydraulic properties and behavior of the matrix-macropore interface is not only a function of saturated hydraulic conductivity of the macroporematrix interface (Ksa) and macropore tortuosity (lf) but also of other parameters of the matrix and macropore domains.

Determining "small parameters" for quasi-steady state

Science.gov (United States)

Goeke, Alexandra; Walcher, Sebastian; Zerz, Eva

2015-08-01

For a parameter-dependent system of ordinary differential equations we present a systematic approach to the determination of parameter values near which singular perturbation scenarios (in the sense of Tikhonov and Fenichel) arise. We call these special values Tikhonov-Fenichel parameter values. The principal application we intend is to equations that describe chemical reactions, in the context of quasi-steady state (or partial equilibrium) settings. Such equations have rational (or even polynomial) right-hand side. We determine the structure of the set of Tikhonov-Fenichel parameter values as a semi-algebraic set, and present an algorithmic approach to their explicit determination, using Groebner bases. Examples and applications (which include the irreversible and reversible Michaelis-Menten systems) illustrate that the approach is rather easy to implement.

Methods for measurement of durability parameters

DEFF Research Database (Denmark)

Hansen, Ernst Jan De Place

1996-01-01

Present selected methods for measurement of durabilty parameters relating to chlorides, corrosion, moisture and freeze-thaw, primarly on concrete. Advantages and drawbacks of the different methods are included.......Present selected methods for measurement of durabilty parameters relating to chlorides, corrosion, moisture and freeze-thaw, primarly on concrete. Advantages and drawbacks of the different methods are included....

PARAMETER COORDINATION AND ROBUST OPTIMIZATION FOR MULTIDISCIPLINARY DESIGN

Institute of Scientific and Technical Information of China (English)

HU Jie; PENG Yinghong; XIONG Guangleng

2006-01-01

A new parameter coordination and robust optimization approach for multidisciplinary design is presented. Firstly, the constraints network model is established to support engineering change, coordination and optimization. In this model, interval boxes are adopted to describe the uncertainty of design parameters quantitatively to enhance the design robustness. Secondly, the parameter coordination method is presented to solve the constraints network model, monitor the potential conflicts due to engineering changes, and obtain the consistency solution space corresponding to the given product specifications. Finally, the robust parameter optimization model is established, and genetic arithmetic is used to obtain the robust optimization parameter. An example of bogie design is analyzed to show the scheme to be effective.

Multiwavelength light curve parameters of Cepheid variables

Directory of Open Access Journals (Sweden)

Bhardwaj Anupam

2017-01-01

Full Text Available We present a comparative analysis of theoretical and observed light curves of Cepheid variables using Fourier decomposition. The theoretical light curves at multiple wavelengths are generated using stellar pulsation models for chemical compositions representative of Cepheids in the Galaxy and Magellanic Clouds. The observed light curves at optical (VI, near-infrared (JHKs and mid-infrared (3.6 & 4.5-μm bands are compiled from the literature. We discuss the variation of light curve parameters as a function of period, wavelength and metallicity. Theoretical and observed Fourier amplitude parameters decrease with increase in wavelength while the phase parameters increase with wavelength. We find that theoretical amplitude parameters obtained using canonical mass-luminosity levels exhibit a greater offset with respect to observations when compared to non-canonical relations. We also discuss the impact of variation in convective efficiency on the light curve structure of Cepheid variables. The increase in mixing length parameter results in a zero-point offset in bolometric mean magnitudes and reduces the systematic large difference in theoretical amplitudes with respect to observations.

Measuring the Michel parameter ξ''

International Nuclear Information System (INIS)

Knowles, P.; Deutsch, J.; Egger, J.; Fetscher, W.; Foroughi, F.; Govaerts, J.; Hadri, M.; Kirch, K.; Kistryn, S.; Lang, J.; Morelle, X.; Naviliat, O.; Ninane, A.; Prieels, R.; Severijns, N.; Simons, L.; Sromicki, J.; Vandormael, S.; Hove, P. van

1999-01-01

Unlike the majority of Michel parameters which are consistent with the Standard Model V-A interaction, the experimental value of ξ''(=0.65±0.36) [1] is poorly known. Our experiment will measure the longitudinal polarization, P L , of positrons emitted from the decay of polarized muons. The value of P L , equal to unity in the Standard Model, will decrease for high energy positrons emitted antiparallel to the muon spin if the combination of Michel parameters ξ''/ξξ' - 1 deviates from the Standard Model value of zero

Morphology parameters for intracranial aneurysm rupture risk assessment.

Science.gov (United States)

Dhar, Sujan; Tremmel, Markus; Mocco, J; Kim, Minsuok; Yamamoto, Junichi; Siddiqui, Adnan H; Hopkins, L Nelson; Meng, Hui

2008-08-01

The aim of this study is to identify image-based morphological parameters that correlate with human intracranial aneurysm (IA) rupture. For 45 patients with terminal or sidewall saccular IAs (25 unruptured, 20 ruptured), three-dimensional geometries were evaluated for a range of morphological parameters. In addition to five previously studied parameters (aspect ratio, aneurysm size, ellipticity index, nonsphericity index, and undulation index), we defined three novel parameters incorporating the parent vessel geometry (vessel angle, aneurysm [inclination] angle, and [aneurysm-to-vessel] size ratio) and explored their correlation with aneurysm rupture. Parameters were analyzed with a two-tailed independent Student's t test for significance; significant parameters (P 41; 95% confidence interval, 1.03-1.92) and undulation index (odds ratio, 1.51; 95% confidence interval, 1.08-2.11) had the strongest independent correlation with ruptured IA. From the receiver operating characteristic analysis, size ratio and aneurysm angle had the highest area under the curve values of 0.83 and 0.85, respectively. Size ratio and aneurysm angle are promising new morphological metrics for IA rupture risk assessment. Because these parameters account for vessel geometry, they may bridge the gap between morphological studies and more qualitative location-based studies.

The incidence of significant relationships between selected parameters of feet and parameters of trunk in children aged 4, 5 and 6 years

Directory of Open Access Journals (Sweden)

Mirosław Mrozkowiak

2018-02-01

2. Foot parameters revealed the most frequent significant relationship with trunk parameters in the sagittal and frontal planes. Trunk parameters with which foot parameters correlated most often included: asymmetry in the height of both scapulas with the right scapula up, inclination of thoracolumbar region and asymmetry in the height of waist triangles with the right triangle up.

Parameter Subset Selection Techniques for Problems in Mathematical Biology

DEFF Research Database (Denmark)

Olsen, Christian; Smith, Ralph; Tran, Hien

2015-01-01

Patient-specific models for diagnostics and treatment planning require reliable parameter estimation and model predictions. Mathematical models of physiological systems are often formulated as systems of nonlinear ODEs with many parameters and few options for measuring all state variables....... Consequently, it can be difficult to determine which parameters can reliably be estimated from the available data. This investigation highlights some pitfalls associated with parameters that are unidentifiable in the sense that they are not uniquely determined by responses, and presents methods for recognizing...... and addressing identifiability problems. These methods quantify the magnitude of parameter influence through sensitivity analysis, and parameter interactions that might complicate unambiguous parameter estimation. The methods will be demonstrated using five examples of increasing complexity, as well...

Dynamics in the Parameter Space of a Neuron Model

Science.gov (United States)

Paulo, C. Rech

2012-06-01

Some two-dimensional parameter-space diagrams are numerically obtained by considering the largest Lyapunov exponent for a four-dimensional thirteen-parameter Hindmarsh—Rose neuron model. Several different parameter planes are considered, and it is shown that depending on the combination of parameters, a typical scenario can be preserved: for some choice of two parameters, the parameter plane presents a comb-shaped chaotic region embedded in a large periodic region. It is also shown that there exist regions close to these comb-shaped chaotic regions, separated by the comb teeth, organizing themselves in period-adding bifurcation cascades.

Parameter extraction with neural networks

Science.gov (United States)

Cazzanti, Luca; Khan, Mumit; Cerrina, Franco

1998-06-01

In semiconductor processing, the modeling of the process is becoming more and more important. While the ultimate goal is that of developing a set of tools for designing a complete process (Technology CAD), it is also necessary to have modules to simulate the various technologies and, in particular, to optimize specific steps. This need is particularly acute in lithography, where the continuous decrease in CD forces the technologies to operate near their limits. In the development of a 'model' for a physical process, we face several levels of challenges. First, it is necessary to develop a 'physical model,' i.e. a rational description of the process itself on the basis of know physical laws. Second, we need an 'algorithmic model' to represent in a virtual environment the behavior of the 'physical model.' After a 'complete' model has been developed and verified, it becomes possible to do performance analysis. In many cases the input parameters are poorly known or not accessible directly to experiment. It would be extremely useful to obtain the values of these 'hidden' parameters from experimental results by comparing model to data. This is particularly severe, because the complexity and costs associated with semiconductor processing make a simple 'trial-and-error' approach infeasible and cost- inefficient. Even when computer models of the process already exists, obtaining data through simulations may be time consuming. Neural networks (NN) are powerful computational tools to predict the behavior of a system from an existing data set. They are able to adaptively 'learn' input/output mappings and to act as universal function approximators. In this paper we use artificial neural networks to build a mapping from the input parameters of the process to output parameters which are indicative of the performance of the process. Once the NN has been 'trained,' it is also possible to observe the process 'in reverse,' and to extract the values of the inputs which yield outputs

Primary Numbers Database for ATLAS Detector Description Parameters

CERN Document Server

Vaniachine, A; Malon, D; Nevski, P; Wenaus, T

2003-01-01

We present the design and the status of the database for detector description parameters in ATLAS experiment. The ATLAS Primary Numbers are the parameters defining the detector geometry and digitization in simulations, as well as certain reconstruction parameters. Since the detailed ATLAS detector description needs more than 10,000 such parameters, a preferred solution is to have a single verified source for all these data. The database stores the data dictionary for each parameter collection object, providing schema evolution support for object-based retrieval of parameters. The same Primary Numbers are served to many different clients accessing the database: the ATLAS software framework Athena, the Geant3 heritage framework Atlsim, the Geant4 developers framework FADS/Goofy, the generator of XML output for detector description, and several end-user clients for interactive data navigation, including web-based browsers and ROOT. The choice of the MySQL database product for the implementation provides addition...

Optimization of parameters of special asynchronous electric drives

Science.gov (United States)

Karandey, V. Yu; Popov, B. K.; Popova, O. B.; Afanasyev, V. L.

2018-03-01

The article considers the solution of the problem of parameters optimization of special asynchronous electric drives. The solution of the problem will allow one to project and create special asynchronous electric drives for various industries. The created types of electric drives will have optimum mass-dimensional and power parameters. It will allow one to realize and fulfill the set characteristics of management of technological processes with optimum level of expenses of electric energy, time of completing the process or other set parameters. The received decision allows one not only to solve a certain optimizing problem, but also to construct dependences between the optimized parameters of special asynchronous electric drives, for example, with the change of power, current in a winding of the stator or rotor, induction in a gap or steel of magnetic conductors and other parameters. On the constructed dependences, it is possible to choose necessary optimum values of parameters of special asynchronous electric drives and their components without carrying out repeated calculations.

Assessment of thermodynamic parameters of plasma shock wave

International Nuclear Information System (INIS)

Vasileva, O V; Isaev, Yu N; Budko, A A; Filkov, A I

2014-01-01

The work is devoted to the solution of the one-dimensional equation of hydraulic gas dynamics for the coaxial magneto plasma accelerator by means of Lax-Wendroff modified algorithm with optimum choice of the regularization parameter artificial viscosity. Replacement of the differential equations containing private derivatives is made by finite difference method. Optimum parameter of regularization artificial viscosity is added using the exact known decision of Soda problem. The developed algorithm of thermodynamic parameter calculation in a braking point is proved. Thermodynamic parameters of a shock wave in front of the plasma piston of the coaxial magneto plasma accelerator are calculated on the basis of the offered algorithm. Unstable high-frequency fluctuations are smoothed using modeling and that allows narrowing the ambiguity area. Results of calculation of gas dynamic parameters in a point of braking coincide with literary data. The chart 3 shows the dynamics of change of speed and thermodynamic parameters of a shock wave such as pressure, density and temperature just before the plasma piston

Cosmological parameter estimation using particle swarm optimization

Science.gov (United States)

Prasad, Jayanti; Souradeep, Tarun

2012-06-01

Constraining theoretical models, which are represented by a set of parameters, using observational data is an important exercise in cosmology. In Bayesian framework this is done by finding the probability distribution of parameters which best fits to the observational data using sampling based methods like Markov chain Monte Carlo (MCMC). It has been argued that MCMC may not be the best option in certain problems in which the target function (likelihood) poses local maxima or have very high dimensionality. Apart from this, there may be examples in which we are mainly interested to find the point in the parameter space at which the probability distribution has the largest value. In this situation the problem of parameter estimation becomes an optimization problem. In the present work we show that particle swarm optimization (PSO), which is an artificial intelligence inspired population based search procedure, can also be used for cosmological parameter estimation. Using PSO we were able to recover the best-fit Λ cold dark matter (LCDM) model parameters from the WMAP seven year data without using any prior guess value or any other property of the probability distribution of parameters like standard deviation, as is common in MCMC. We also report the results of an exercise in which we consider a binned primordial power spectrum (to increase the dimensionality of problem) and find that a power spectrum with features gives lower chi square than the standard power law. Since PSO does not sample the likelihood surface in a fair way, we follow a fitting procedure to find the spread of likelihood function around the best-fit point.

Optimal Laser Phototherapy Parameters for Pain Relief.

Science.gov (United States)

Kate, Rohit J; Rubatt, Sarah; Enwemeka, Chukuka S; Huddleston, Wendy E

2018-03-27

Studies on laser phototherapy for pain relief have used parameters that vary widely and have reported varying outcomes. The purpose of this study was to determine the optimal parameter ranges of laser phototherapy for pain relief by analyzing data aggregated from existing primary literature. Original studies were gathered from available sources and were screened to meet the pre-established inclusion criteria. The included articles were then subjected to meta-analysis using Cohen's d statistic for determining treatment effect size. From these studies, ranges of the reported parameters that always resulted into large effect sizes were determined. These optimal ranges were evaluated for their accuracy using leave-one-article-out cross-validation procedure. A total of 96 articles met the inclusion criteria for meta-analysis and yielded 232 effect sizes. The average effect size was highly significant: d = +1.36 (confidence interval [95% CI] = 1.04-1.68). Among all the parameters, total energy was found to have the greatest effect on pain relief and had the most prominent optimal ranges of 120-162 and 15.36-20.16 J, which always resulted in large effect sizes. The cross-validation accuracy of the optimal ranges for total energy was 68.57% (95% CI = 53.19-83.97). Fewer and less-prominent optimal ranges were obtained for the energy density and duration parameters. None of the remaining parameters was found to be independently related to pain relief outcomes. The findings of meta-analysis indicate that laser phototherapy is highly effective for pain relief. Based on the analysis of parameters, total energy can be optimized to yield the largest effect on pain relief.

Method for Determining the Time Parameter

Directory of Open Access Journals (Sweden)

K. P. Baslyk

2014-01-01

Full Text Available This article proposes a method for calculating one of the characteristics that represents the flight program of the first stage of ballistic rocket i.e. time parameter of the program of attack angle.In simulation of placing the payload for the first stage, a program of flight is used which consists of three segments, namely a vertical climb of the rocket, a segment of programmed reversal by attack angle, and a segment of gravitational reversal with zero angle of attack.The programed reversal by attack angle is simulated as a rapidly decreasing and increasing function. This function depends on the attack angle amplitude, time and time parameter.If the projected and ballistic parameters and the amplitude of attack angle were determined this coefficient is calculated based the constraint that the rocket velocity is equal to 0.8 from the sound velocity (0,264 km/sec when the angle of attack becomes equal to zero. Such constraint is transformed to the nonlinear equation, which can be solved using a Newton method.The attack angle amplitude value is unknown for the design analysis. Exceeding some maximum admissible value for this parameter may lead to excessive trajectory collapsing (foreshortening, which can be identified as an arising negative trajectory angle.Consequently, therefore it is necessary to compute the maximum value of the attack angle amplitude with the following constraints: a trajectory angle is positive during the entire first stage flight and the rocket velocity is equal to 0,264 km/sec by the end of program of angle attack. The problem can be formulated as a task of the nonlinear programming, minimization of the modified Lagrange function, which is solved using the multipliers method.If multipliers and penalty parameter are constant the optimization problem without constraints takes place. Using the determined coordinate descent method allows solving the problem of modified Lagrange function of unconstrained minimization with fixed

Critical parameters for ammonia

Energy Technology Data Exchange (ETDEWEB)

Sato, M. [Center for Mechanical Engineering and Applied Mechanics, Keio University, Hiyoshi 3-14-1, Kohoku-ku, Yokohama 223-8522 (Japan); Masui, G. [Center for Mechanical Engineering and Applied Mechanics, Keio University, Hiyoshi 3-14-1, Kohoku-ku, Yokohama 223-8522 (Japan); Uematsu, M. [Center for Mechanical Engineering and Applied Mechanics, Keio University, Hiyoshi 3-14-1, Kohoku-ku, Yokohama 223-8522 (Japan)]. E-mail: uematsu@mech.keio.ac.jp

2005-09-15

(p, {rho}, T) measurements and visual observations of the meniscus for ammonia were carried out carefully in the critical region over the range of temperatures: -1 K (T - T {sub c}) 0.04 K, and of densities: -19 kg . m{sup -3} ({rho} - {rho} {sub c}) 19 kg . m{sup -3} by a metal-bellows volumometer with an optical cell. Vapor pressures were also measured at T = (310, 350, and 400) K. The critical parameters of T {sub c} and {rho} {sub c} were determined based on the results of observation of the critical opalescence. The critical pressure p {sub c} was determined from the present measurements at T {sub c} on the vapor pressure curve. Comparisons of the critical parameters with values given in the literature are presented.

Parameter extraction using global particle swarm optimization approach and the influence of polymer processing temperature on the solar cell parameters

Science.gov (United States)

Kumar, S.; Singh, A.; Dhar, A.

2017-08-01

The accurate estimation of the photovoltaic parameters is fundamental to gain an insight of the physical processes occurring inside a photovoltaic device and thereby to optimize its design, fabrication processes, and quality. A simulative approach of accurately determining the device parameters is crucial for cell array and module simulation when applied in practical on-field applications. In this work, we have developed a global particle swarm optimization (GPSO) approach to estimate the different solar cell parameters viz., ideality factor (η), short circuit current (Isc), open circuit voltage (Voc), shunt resistant (Rsh), and series resistance (Rs) with wide a search range of over ±100 % for each model parameter. After validating the accurateness and global search power of the proposed approach with synthetic and noisy data, we applied the technique to the extract the PV parameters of ZnO/PCDTBT based hybrid solar cells (HSCs) prepared under different annealing conditions. Further, we examine the variation of extracted model parameters to unveil the physical processes occurring when different annealing temperatures are employed during the device fabrication and establish the role of improved charge transport in polymer films from independent FET measurements. The evolution of surface morphology, optical absorption, and chemical compositional behaviour of PCDTBT co-polymer films as a function of processing temperature has also been captured in the study and correlated with the findings from the PV parameters extracted using GPSO approach.

Pulsatility Index as a Diagnostic Parameter of Reciprocating Wall Shear Stress Parameters in Physiological Pulsating Waveforms.

Directory of Open Access Journals (Sweden)

Idit Avrahami

Full Text Available Arterial wall shear stress (WSS parameters are widely used for prediction of the initiation and development of atherosclerosis and arterial pathologies. Traditional clinical evaluation of arterial condition relies on correlations of WSS parameters with average flow rate (Q and heart rate (HR measurements. We show that for pulsating flow waveforms in a straight tube with flow reversals that lead to significant reciprocating WSS, the measurements of HR and Q are not sufficient for prediction of WSS parameters. Therefore, we suggest adding a third quantity-known as the pulsatility index (PI-which is defined as the peak-to-peak flow rate amplitude normalized by Q. We examine several pulsating flow waveforms with and without flow reversals using a simulation of a Womersley model in a straight rigid tube and validate the simulations through experimental study using particle image velocimetry (PIV. The results indicate that clinically relevant WSS parameters such as the percentage of negative WSS (P[%], oscillating shear index (OSI and the ratio of minimum to maximum shear stress rates (min/max, are better predicted when the PI is used in conjunction with HR and Q. Therefore, we propose to use PI as an additional and essential diagnostic quantity for improved predictability of the reciprocating WSS.

LLL DBASE glossary and parameter definitions, Part 1

International Nuclear Information System (INIS)

Rohrer, R.F.

1975-01-01

This report lists, defines, and updates parameters in DBASE, an LLL test effects data bank in which data is stored from experiments performed at NTS and other test sites. Parameters are listed by subject and by number. Part 2 of this report presents the same information for classified parameters

Parameter extraction from I-V characteristics of PV devices

Energy Technology Data Exchange (ETDEWEB)

Macabebe, Erees Queen B. [Department of Electronics, Computer and Communications Engineering, Ateneo de Manila University, Loyola Heights, Quezon City 1108 (Philippines); Department of Physics and Centre for Energy Research, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa); Sheppard, Charles J. [Department of Physics, University of Johannesburg, PO Box 524, Auckland Park 2006 (South Africa); Dyk, E. Ernest van [Department of Physics and Centre for Energy Research, Nelson Mandela Metropolitan University, PO Box 77000, Port Elizabeth 6031 (South Africa)

2011-01-15

Device parameters such as series and shunt resistances, saturation current and diode ideality factor influence the behaviour of the current-voltage (I-V) characteristics of solar cells and photovoltaic modules. It is necessary to determine these parameters since performance parameters are derived from the I-V curve and information provided by the device parameters are useful in analyzing performance losses. This contribution presents device parameters of CuIn(Se,S){sub 2}- and Cu(In,Ga)(Se,S){sub 2}-based solar cells, as well as, CuInSe{sub 2}, mono- and multicrystalline silicon modules determined using a parameter extraction routine that employs Particle Swarm Optimization. The device parameters of the CuIn(Se,S){sub 2}- and Cu(In,Ga)(Se,S){sub 2}-based solar cells show that the contribution of recombination mechanisms exhibited by high saturation current when coupled with the effects of parasitic resistances result in lower maximum power and conversion efficiency. Device parameters of photovoltaic modules extracted from I-V characteristics obtained at higher temperature show increased saturation current. The extracted values also reflect the adverse effect of temperature on parasitic resistances. The parameters extracted from I-V curves offer an understanding of the different mechanisms involved in the operation of the devices. The parameter extraction routine utilized in this study is a useful tool in determining the device parameters which reveal the mechanisms affecting device performance. (author)

Parameter tracking with partial forgetting method

Czech Academy of Sciences Publication Activity Database

Dedecius, Kamil; Nagy, Ivan; Kárný, Miroslav

2012-01-01

Roč. 26, č. 1 (2012), s. 1-12 ISSN 0890-6327 R&D Projects: GA ČR GA102/08/0567 Institutional research plan: CEZ:AV0Z10750506 Keywords : regression models * model * parameter estimation * parameter tracking Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 1.219, year: 2012 http://library.utia.cas.cz/separaty/2012/AS/dedecius-0370448.pdf

Review of 241 Pu resonance parameters

International Nuclear Information System (INIS)

Derrien, H.

1981-10-01

The status of 241 Pu resonance parameters is reviewed. The most important recent results are compared in some energy ranges, both from single level and multilevel point of view. It appears that an accurate set of resonance parameters is not still obtained for a general description of the cross-sections in the resonance region. Some recommendations are given for further experiments or evaluations

Genetic parameters in a Swine Population

Directory of Open Access Journals (Sweden)

Dana Popa

2010-05-01

Full Text Available The estimation of the variance-covariance components is a very important step in animal breeding because these components are necessary for: estimation of the genetic parameters, prediction of the breeding value and design of animal breeding programs. The estimation of genetic parameters is the first step in the development of a swine breeding program, using artificial insemination. Various procedures exist for estimation of heritability. There are three major procedures used for estimating heritability: analysis of variance (ANOVA, parents-offspring regression and restricted maximum likelihood (REML. By using ANOVA methodology or regression method it is possible to obtain aberrant values of genetic parameters (negative or over unit value of heritability coefficient, for example which can not be interpreting because is out of biological limits.

Statistics of Parameter Estimates: A Concrete Example

KAUST Repository

Aguilar, Oscar; Allmaras, Moritz; Bangerth, Wolfgang; Tenorio, Luis

2015-01-01

© 2015 Society for Industrial and Applied Mathematics. Most mathematical models include parameters that need to be determined from measurements. The estimated values of these parameters and their uncertainties depend on assumptions made about noise

Parameter Estimation of Partial Differential Equation Models

KAUST Repository

Xun, Xiaolei; Cao, Jiguo; Mallick, Bani; Maity, Arnab; Carroll, Raymond J.

2013-01-01

PDEs used in practice have no analytic solutions, and can only be solved with numerical methods. Currently, methods for estimating PDE parameters require repeatedly solving PDEs numerically under thousands of candidate parameter values, and thus

Chiral-symmetry order parameter, the lattice, and nucleosynthesis

International Nuclear Information System (INIS)

McLerran, L.

1987-01-01

I discuss an order parameter for the chiral-symmetry restoration phase transition which may be useful in computations of big-bang nucleosynthesis, a phenomenon which requires a finite baryon-number density. This parameter is strictly speaking an order parameter in the large-N limit, and distinguishes between a parity-doubled and a massless-fermion realization of chiral-symmetry restoration. This order parameter may be evaluated at a zero net baryon-number density at finite temperature, and is useful as long as the baryon chemical potential μ is much less than the temperature T

Cosmological parameters from SDSS and WMAP

International Nuclear Information System (INIS)

Tegmark, Max; Strauss, Michael A.; Bahcall, Neta A.; Schlegel, David; Finkbeiner, Douglas; Gunn, James E.; Ostriker, Jeremiah P.; Seljak, Uros; Ivezic, Zeljko; Knapp, Gillian R.; Lupton, Robert H.; Blanton, Michael R.; Scoccimarro, Roman; Hogg, David W.; Abazajian, Kevork; Xu Yongzhong; Dodelson, Scott; Sandvik, Havard; Wang Xiaomin; Jain, Bhuvnesh

2004-01-01

We measure cosmological parameters using the three-dimensional power spectrum P(k) from over 200 000 galaxies in the Sloan Digital Sky Survey (SDSS) in combination with Wilkinson Microwave Anisotropy Probe (WMAP) and other data. Our results are consistent with a 'vanilla' flat adiabatic cold dark matter model with a cosmological constant without tilt (n s =1), running tilt, tensor modes, or massive neutrinos. Adding SDSS information more than halves the WMAP-only error bars on some parameters, tightening 1σ constraints on the Hubble parameter from h≅0.74 -0.07 +0.18 to h≅0.70 -0.03 +0.04 , on the matter density from Ω m ≅0.25±0.10 to Ω m ≅0.30±0.04 (1σ) and on neutrino masses from 0 ≅16.3 -1.8 +2.3 Gyr to t 0 ≅14.1 -0.9 +1.0 Gyr by adding SDSS and SN Ia data. Including tensors, running tilt, neutrino mass and equation of state in the list of free parameters, many constraints are still quite weak, but future cosmological measurements from SDSS and other sources should allow these to be substantially tightened

A Novel Nonlinear Parameter Estimation Method of Soft Tissues

Directory of Open Access Journals (Sweden)

Qianqian Tong

2017-12-01

Full Text Available The elastic parameters of soft tissues are important for medical diagnosis and virtual surgery simulation. In this study, we propose a novel nonlinear parameter estimation method for soft tissues. Firstly, an in-house data acquisition platform was used to obtain external forces and their corresponding deformation values. To provide highly precise data for estimating nonlinear parameters, the measured forces were corrected using the constructed weighted combination forecasting model based on a support vector machine (WCFM_SVM. Secondly, a tetrahedral finite element parameter estimation model was established to describe the physical characteristics of soft tissues, using the substitution parameters of Young’s modulus and Poisson’s ratio to avoid solving complicated nonlinear problems. To improve the robustness of our model and avoid poor local minima, the initial parameters solved by a linear finite element model were introduced into the parameter estimation model. Finally, a self-adapting Levenberg–Marquardt (LM algorithm was presented, which is capable of adaptively adjusting iterative parameters to solve the established parameter estimation model. The maximum absolute error of our WCFM_SVM model was less than 0.03 Newton, resulting in more accurate forces in comparison with other correction models tested. The maximum absolute error between the calculated and measured nodal displacements was less than 1.5 mm, demonstrating that our nonlinear parameters are precise.

Parameter Estimation as a Problem in Statistical Thermodynamics.

Science.gov (United States)

Earle, Keith A; Schneider, David J

2011-03-14

In this work, we explore the connections between parameter fitting and statistical thermodynamics using the maxent principle of Jaynes as a starting point. In particular, we show how signal averaging may be described by a suitable one particle partition function, modified for the case of a variable number of particles. These modifications lead to an entropy that is extensive in the number of measurements in the average. Systematic error may be interpreted as a departure from ideal gas behavior. In addition, we show how to combine measurements from different experiments in an unbiased way in order to maximize the entropy of simultaneous parameter fitting. We suggest that fit parameters may be interpreted as generalized coordinates and the forces conjugate to them may be derived from the system partition function. From this perspective, the parameter fitting problem may be interpreted as a process where the system (spectrum) does work against internal stresses (non-optimum model parameters) to achieve a state of minimum free energy/maximum entropy. Finally, we show how the distribution function allows us to define a geometry on parameter space, building on previous work[1, 2]. This geometry has implications for error estimation and we outline a program for incorporating these geometrical insights into an automated parameter fitting algorithm.

Activation method for measurement of neutron spectrum parameters

International Nuclear Information System (INIS)

Efimov, B.V.; Demidov, A.M.; Ionov, V.S.; Konjaev, S.I.; Marin, S.V.; Bryzgalov, V.I.

2007-01-01

Experimental researches of spectrum parameters of neutrons at nuclear installations RRC KI are submitted. The installations have different designs of the cores, reflector, parameters and types of fuel elements. Measurements were carried out with use of the technique developed in RRC KI for irradiation resonance detectors UKD. The arrangement of detectors in the cores ensured possibility of measurement of neutron spectra with distinguished values of parameters. The spectrum parameters which are introduced by parametrical representation of a neutrons spectrum in the form corresponding to formalism Westcott. On experimental data were determinate absolute values of density neutron flux (DNF) in thermal and epithermal area of a spectrum (F t , f epi ), empirical dependence of temperature of neutron gas (Tn) on parameter of a rigidity of a spectrum (z), density neutron flux in transitional energy area of the spectrum. Dependences of spectral indexes of nuclides (UDy/UX), included in UKD, from a rigidity z and-or temperatures of neutron gas Tn are obtained.B Tools of mathematical processing of results are used for activation data and estimation of parameters of a spectrum (F t , f epi , z, Tn, UDy/UX). In the paper are presented some results of researches of neutron spectrum parameters of the nuclear installations (Authors)

Parameter estimation in plasmonic QED

Science.gov (United States)

Jahromi, H. Rangani

2018-03-01

We address the problem of parameter estimation in the presence of plasmonic modes manipulating emitted light via the localized surface plasmons in a plasmonic waveguide at the nanoscale. The emitter that we discuss is the nitrogen vacancy centre (NVC) in diamond modelled as a qubit. Our goal is to estimate the β factor measuring the fraction of emitted energy captured by waveguide surface plasmons. The best strategy to obtain the most accurate estimation of the parameter, in terms of the initial state of the probes and different control parameters, is investigated. In particular, for two-qubit estimation, it is found although we may achieve the best estimation at initial instants by using the maximally entangled initial states, at long times, the optimal estimation occurs when the initial state of the probes is a product one. We also find that decreasing the interqubit distance or increasing the propagation length of the plasmons improve the precision of the estimation. Moreover, decrease of spontaneous emission rate of the NVCs retards the quantum Fisher information (QFI) reduction and therefore the vanishing of the QFI, measuring the precision of the estimation, is delayed. In addition, if the phase parameter of the initial state of the two NVCs is equal to πrad, the best estimation with the two-qubit system is achieved when initially the NVCs are maximally entangled. Besides, the one-qubit estimation has been also analysed in detail. Especially, we show that, using a two-qubit probe, at any arbitrary time, enhances considerably the precision of estimation in comparison with one-qubit estimation.

On the relationship between input parameters in the two-mass vocal-fold model with acoustical coupling and signal parameters of the glottal flow

NARCIS (Netherlands)

Hirtum, van A.; Lopez Arteaga, I.; Hirschberg, A.; Pelorson, X.

2003-01-01

In this paper the sensitivity of the two-mass model with acoustical coupling to the model input-parameters is assessed. The model-output or the glottal volume air flow is characterised by signal-parameters in the time-domain. The influence of changing input-parameters on the signal-parameters is

Sensitivity of Footbridge Vibrations to Stochastic Walking Parameters

DEFF Research Database (Denmark)

Pedersen, Lars; Frier, Christian

2010-01-01

of the pedestrian. A stochastic modelling approach is adopted for this paper and it facilitates quantifying the probability of exceeding various vibration levels, which is useful in a discussion of serviceability of a footbridge design. However, estimates of statistical distributions of footbridge vibration levels...... to walking loads might be influenced by the models assumed for the parameters of the load model (the walking parameters). The paper explores how sensitive estimates of the statistical distribution of vertical footbridge response are to various stochastic assumptions for the walking parameters. The basis...... for the study is a literature review identifying different suggestions as to how the stochastic nature of these parameters may be modelled, and a parameter study examines how the different models influence estimates of the statistical distribution of footbridge vibrations. By neglecting scatter in some...

Demographic and transportation parameters in RADTRAN

International Nuclear Information System (INIS)

Brogan, J.D.; Cashwell, J.W.; Neuhauser, K.S.

1989-01-01

Recent efforts at Sandia National Laboratories have focused not only on modification of the RADTRAN transportation risk analysis code but also on updating the default parameters for population, land use, and roadway characteristics used by the code. Changes to the code have been discussed earlier in this Conference. This paper summarizes the results of a review of transportation and demographic parameters, performed to complement recent model modifications

Statistics of Parameter Estimates: A Concrete Example

KAUST Repository

Aguilar, Oscar

2015-01-01

© 2015 Society for Industrial and Applied Mathematics. Most mathematical models include parameters that need to be determined from measurements. The estimated values of these parameters and their uncertainties depend on assumptions made about noise levels, models, or prior knowledge. But what can we say about the validity of such estimates, and the influence of these assumptions? This paper is concerned with methods to address these questions, and for didactic purposes it is written in the context of a concrete nonlinear parameter estimation problem. We will use the results of a physical experiment conducted by Allmaras et al. at Texas A&M University [M. Allmaras et al., SIAM Rev., 55 (2013), pp. 149-167] to illustrate the importance of validation procedures for statistical parameter estimation. We describe statistical methods and data analysis tools to check the choices of likelihood and prior distributions, and provide examples of how to compare Bayesian results with those obtained by non-Bayesian methods based on different types of assumptions. We explain how different statistical methods can be used in complementary ways to improve the understanding of parameter estimates and their uncertainties.

Problems of low-parameter equations of state

Science.gov (United States)

Petrik, G. G.

2017-11-01

The paper focuses on the system approach to problems of low-parametric equations of state (EOS). It is a continuation of the investigations in the field of substantiated prognosis of properties on two levels, molecular and thermodynamic. Two sets of low-parameter EOS have been considered based on two very simple molecular-level models. The first one consists of EOS of van der Waals type (a modification of van der Waals EOS proposed for spheres). The main problem of these EOS is a weak connection with the micro-level, which raise many uncertainties. The second group of EOS has been derived by the author independently of the ideas of van der Waals based on the model of interacting point centers (IPC). All the parameters of the EOS have a meaning and are associated with the manifestation of attractive and repulsive forces. The relationship between them is found to be the control parameter of the thermodynamic level. In this case, EOS IPC passes into a one-parameter family. It is shown that many EOS of vdW-type can be included in the framework of the PC model. Simultaneously, all their parameters acquire a physical meaning.

Analysis of sagittal spinopelvic parameters in achondroplasia.

Science.gov (United States)

Hong, Jae-Young; Suh, Seung-Woo; Modi, Hitesh N; Park, Jong-Woong; Park, Jung-Ho

2011-08-15

Prospective radiological analysis of patients with achondroplasia. To analyze sagittal spinal alignment and pelvic orientation in achondroplasia patients. Knowledge of sagittal spinopelvic parameters is important for the treatment of achondroplasia, because they differ from those of the normal population and can induce pain. The study and control groups were composed of 32 achondroplasia patients and 24 healthy volunteers, respectively. All underwent lateral radiography of the whole spine including hip joints. The radiographic parameters examined were sacral slope (SS), pelvic tilt, pelvic incidence (PI), S1 overhang, thoracic kyphosis, T10-L2 kyphosis, lumbar lordosis (LL1, LL2), and sagittal balance. Statistical analysis was performed to identify significant differences between the two groups. In addition, correlations between parameters and symptoms were sought. Sagittal spinopelvic parameters, namely, pelvic tilt, pelvic incidence, S1 overhang, thoracic kyphosis, T10-L2 kyphosis, lumbar lordosis 1 and sagittal balance were found to be significantly different in the patient and control groups (P achondroplasia patients and normal healthy controls. The present study shows that sagittal spinal and pelvic parameters can assist the treatment of spinal disorders in achondroplasia patients.

Two-parameter asymptotics in magnetic Weyl calculus

International Nuclear Information System (INIS)

Lein, Max

2010-01-01

This paper is concerned with small parameter asymptotics of magnetic quantum systems. In addition to a semiclassical parameter ε, the case of small coupling λ to the magnetic vector potential naturally occurs in this context. Magnetic Weyl calculus is adapted to incorporate both parameters, at least one of which needs to be small. Of particular interest is the expansion of the Weyl product which can be used to expand the product of operators in a small parameter, a technique which is prominent to obtain perturbation expansions. Three asymptotic expansions for the magnetic Weyl product of two Hoermander class symbols are proven as (i) ε<< 1 and λ<< 1, (ii) ε<< 1 and λ= 1, as well as (iii) ε= 1 and λ<< 1. Expansions (i) and (iii) are impossible to obtain with ordinary Weyl calculus. Furthermore, I relate the results derived by ordinary Weyl calculus with those obtained with magnetic Weyl calculus by one- and two-parameter expansions. To show the power and versatility of magnetic Weyl calculus, I derive the semirelativistic Pauli equation as a scaling limit from the Dirac equation up to errors of fourth order in 1/c.

Determination of cosmological parameters: An introduction for non ...

Indian Academy of Sciences (India)

Then I show how the age of the universe depends on them, followed by the evolution of the scale parameter of the universe for various values of the density parameters. Then I define strategies for measuring them, and show the results for the recent determination of these parameters from measurements on supernovas of ...

Integral data analysis for resonance parameters determination

International Nuclear Information System (INIS)

Larson, N.M.; Leal, L.C.; Derrien, H.

1997-09-01

Neutron time-of-flight experiments have long been used to determine resonance parameters. Those resonance parameters have then been used in calculations of integral quantities such as Maxwellian averages or resonance integrals, and results of those calculations in turn have been used as a criterion for acceptability of the resonance analysis. However, the calculations were inadequate because covariances on the parameter values were not included in the calculations. In this report an effort to correct for that deficiency is documented: (1) the R-matrix analysis code SAMMY has been modified to include integral quantities of importance, (2) directly within the resonance parameter analysis, and (3) to determine the best fit to both differential (microscopic) and integral (macroscopic) data simultaneously. This modification was implemented because it is expected to have an impact on the intermediate-energy range that is important for criticality safety applications

Spectroscopic determination of valence band parameters in InP

International Nuclear Information System (INIS)

Lewis, R.A.; Lough, B.C.C.

2003-01-01

Full text: The general form of the Hamiltonian for an electron or hole in a semiconductor has been given by Luttinger. The valence band is characterised by three parameters - γ 1 , γ 2 , γ 3 -now commonly known as the Luttinger parameters. Despite many investigations there is still considerable uncertainty regarding the Luttinger parameters of InP. The situation has been reviewed by Hackenberg et al. These authors themselves sought to determine the Luttinger parameters by hot-electron luminescence and discovered that many Luttinger parameter triplets were consistent with their data. We employ a spectroscopic approach to estimating valence-band parameters in InP. Calculations have been made for both the unperturbed energy levels and the energy levels in a magnetic field of acceptor impurities in semiconductors characterised by different Luttinger parameters. We compare our recent experimental data for the transitions associated with the Zn acceptor impurity in InP in magnetic fields up to 30 T to determine the most appropriate set of valence-band parameters for InP

The Power of Heterogeneity: Parameter Relationships from Distributions

Science.gov (United States)

Röding, Magnus; Bradley, Siobhan J.; Williamson, Nathan H.; Dewi, Melissa R.; Nann, Thomas; Nydén, Magnus

2016-01-01

Complex scientific data is becoming the norm, many disciplines are growing immensely data-rich, and higher-dimensional measurements are performed to resolve complex relationships between parameters. Inherently multi-dimensional measurements can directly provide information on both the distributions of individual parameters and the relationships between them, such as in nuclear magnetic resonance and optical spectroscopy. However, when data originates from different measurements and comes in different forms, resolving parameter relationships is a matter of data analysis rather than experiment. We present a method for resolving relationships between parameters that are distributed individually and also correlated. In two case studies, we model the relationships between diameter and luminescence properties of quantum dots and the relationship between molecular weight and diffusion coefficient for polymers. Although it is expected that resolving complicated correlated relationships require inherently multi-dimensional measurements, our method constitutes a useful contribution to the modelling of quantitative relationships between correlated parameters and measurements. We emphasise the general applicability of the method in fields where heterogeneity and complex distributions of parameters are obstacles to scientific insight. PMID:27182701

Stellar atmospheric parameter estimation using Gaussian process regression

Science.gov (United States)

Bu, Yude; Pan, Jingchang

2015-02-01

As is well known, it is necessary to derive stellar parameters from massive amounts of spectral data automatically and efficiently. However, in traditional automatic methods such as artificial neural networks (ANNs) and kernel regression (KR), it is often difficult to optimize the algorithm structure and determine the optimal algorithm parameters. Gaussian process regression (GPR) is a recently developed method that has been proven to be capable of overcoming these difficulties. Here we apply GPR to derive stellar atmospheric parameters from spectra. Through evaluating the performance of GPR on Sloan Digital Sky Survey (SDSS) spectra, Medium resolution Isaac Newton Telescope Library of Empirical Spectra (MILES) spectra, ELODIE spectra and the spectra of member stars of galactic globular clusters, we conclude that GPR can derive stellar parameters accurately and precisely, especially when we use data preprocessed with principal component analysis (PCA). We then compare the performance of GPR with that of several widely used regression methods (ANNs, support-vector regression and KR) and find that with GPR it is easier to optimize structures and parameters and more efficient and accurate to extract atmospheric parameters.

Impact parameter analysis and soft QCD dynamics

International Nuclear Information System (INIS)

Carvalho, P.A.S.; Martini, A.F.; Menon, M.J.

2002-01-01

In a recent paper, based on the hypothesis of light-cone dipole representation for gluon Bremsstrahlung, Kopeliovich et al. developed a dynamical model for the elastic hadronic amplitude. The model has been applied to pp and p (bar) p scattering and the effects of unitarity and peripheral interactions have been investigated in the impact parameter representation. In this communication, making use of a model independent extraction of the scattering amplitude in the impact parameter space (early developed), we represent a comparative study between the predictions from the dynamical model and the impact parameter analysis. (author)

Edge Modeling by Two Blur Parameters in Varying Contrasts.

Science.gov (United States)

Seo, Suyoung

2018-06-01

This paper presents a method of modeling edge profiles with two blur parameters, and estimating and predicting those edge parameters with varying brightness combinations and camera-to-object distances (COD). First, the validity of the edge model is proven mathematically. Then, it is proven experimentally with edges from a set of images captured for specifically designed target sheets and with edges from natural images. Estimation of the two blur parameters for each observed edge profile is performed with a brute-force method to find parameters that produce global minimum errors. Then, using the estimated blur parameters, actual blur parameters of edges with arbitrary brightness combinations are predicted using a surface interpolation method (i.e., kriging). The predicted surfaces show that the two blur parameters of the proposed edge model depend on both dark-side edge brightness and light-side edge brightness following a certain global trend. This is similar across varying CODs. The proposed edge model is compared with a one-blur parameter edge model using experiments of the root mean squared error for fitting the edge models to each observed edge profile. The comparison results suggest that the proposed edge model has superiority over the one-blur parameter edge model in most cases where edges have varying brightness combinations.

Nuclear EMP: key suppression device parameters for EMP hardening

International Nuclear Information System (INIS)

Durgin, D.L.; Brown, R.M.

1975-03-01

The electrical transients induced by EMP exhibit unique characteristics which differ considerably from transients associated with other phenomena such as lightning, switching, and circuit malfunctions. The suppression techniques developed to handle more common transients, though not necessarily the same devices, can be used for EMP damage protection. The suppression devices used for circuit level EMP protection are referred to as Terminal Protection Devices (TPD). Little detailed data describing the response of TPD's to EMP-related transients have been published. While most vendors publish specifications for TPD performance, there is little standardization of parameters and TPD response models are not available. This lack of parameter standardization has resulted in a proliferation of test data that is sometimes conflicting and often not directly comparable. This paper derives and/or defines a consistent set of parameters based on EMP circuit hardening requirements and on measurable component parameters and is concerned only with use of TPD's to prevent permanent damage. Three sets of parameters pertaining to pertinent TPD functional characteristics were defined as follows: standby parameters, protection parameters, and failure parameters. These parameters are used to evaluate a representative sample of TPD's and the results are presented in matrix form to facilitate the selection of devices for specific hardening problems

Traveltime approximations and parameter estimation for orthorhombic media

KAUST Repository

Masmoudi, Nabil

2016-05-30

Building anisotropy models is necessary for seismic modeling and imaging. However, anisotropy estimation is challenging due to the trade-off between inhomogeneity and anisotropy. Luckily, we can estimate the anisotropy parameters Building anisotropy models is necessary for seismic modeling and imaging. However, anisotropy estimation is challenging due to the trade-off between inhomogeneity and anisotropy. Luckily, we can estimate the anisotropy parameters if we relate them analytically to traveltimes. Using perturbation theory, we have developed traveltime approximations for orthorhombic media as explicit functions of the anellipticity parameters η1, η2, and Δχ in inhomogeneous background media. The parameter Δχ is related to Tsvankin-Thomsen notation and ensures easier computation of traveltimes in the background model. Specifically, our expansion assumes an inhomogeneous ellipsoidal anisotropic background model, which can be obtained from well information and stacking velocity analysis. We have used the Shanks transform to enhance the accuracy of the formulas. A homogeneous medium simplification of the traveltime expansion provided a nonhyperbolic moveout description of the traveltime that was more accurate than other derived approximations. Moreover, the formulation provides a computationally efficient tool to solve the eikonal equation of an orthorhombic medium, without any constraints on the background model complexity. Although, the expansion is based on the factorized representation of the perturbation parameters, smooth variations of these parameters (represented as effective values) provides reasonable results. Thus, this formulation provides a mechanism to estimate the three effective parameters η1, η2, and Δχ. We have derived Dix-type formulas for orthorhombic medium to convert the effective parameters to their interval values.

Universally sloppy parameter sensitivities in systems biology models.

Directory of Open Access Journals (Sweden)

Ryan N Gutenkunst

2007-10-01

Full Text Available Quantitative computational models play an increasingly important role in modern biology. Such models typically involve many free parameters, and assigning their values is often a substantial obstacle to model development. Directly measuring in vivo biochemical parameters is difficult, and collectively fitting them to other experimental data often yields large parameter uncertainties. Nevertheless, in earlier work we showed in a growth-factor-signaling model that collective fitting could yield well-constrained predictions, even when it left individual parameters very poorly constrained. We also showed that the model had a "sloppy" spectrum of parameter sensitivities, with eigenvalues roughly evenly distributed over many decades. Here we use a collection of models from the literature to test whether such sloppy spectra are common in systems biology. Strikingly, we find that every model we examine has a sloppy spectrum of sensitivities. We also test several consequences of this sloppiness for building predictive models. In particular, sloppiness suggests that collective fits to even large amounts of ideal time-series data will often leave many parameters poorly constrained. Tests over our model collection are consistent with this suggestion. This difficulty with collective fits may seem to argue for direct parameter measurements, but sloppiness also implies that such measurements must be formidably precise and complete to usefully constrain many model predictions. We confirm this implication in our growth-factor-signaling model. Our results suggest that sloppy sensitivity spectra are universal in systems biology models. The prevalence of sloppiness highlights the power of collective fits and suggests that modelers should focus on predictions rather than on parameters.

Universally sloppy parameter sensitivities in systems biology models.

Science.gov (United States)

Gutenkunst, Ryan N; Waterfall, Joshua J; Casey, Fergal P; Brown, Kevin S; Myers, Christopher R; Sethna, James P

2007-10-01

Quantitative computational models play an increasingly important role in modern biology. Such models typically involve many free parameters, and assigning their values is often a substantial obstacle to model development. Directly measuring in vivo biochemical parameters is difficult, and collectively fitting them to other experimental data often yields large parameter uncertainties. Nevertheless, in earlier work we showed in a growth-factor-signaling model that collective fitting could yield well-constrained predictions, even when it left individual parameters very poorly constrained. We also showed that the model had a "sloppy" spectrum of parameter sensitivities, with eigenvalues roughly evenly distributed over many decades. Here we use a collection of models from the literature to test whether such sloppy spectra are common in systems biology. Strikingly, we find that every model we examine has a sloppy spectrum of sensitivities. We also test several consequences of this sloppiness for building predictive models. In particular, sloppiness suggests that collective fits to even large amounts of ideal time-series data will often leave many parameters poorly constrained. Tests over our model collection are consistent with this suggestion. This difficulty with collective fits may seem to argue for direct parameter measurements, but sloppiness also implies that such measurements must be formidably precise and complete to usefully constrain many model predictions. We confirm this implication in our growth-factor-signaling model. Our results suggest that sloppy sensitivity spectra are universal in systems biology models. The prevalence of sloppiness highlights the power of collective fits and suggests that modelers should focus on predictions rather than on parameters.

Updated Abraham solvation parameters for polychlorinated biphenyls

NARCIS (Netherlands)

van Noort, P.C.M.; Haftka, J.J.H.; Parsons, J.R.

2010-01-01

This study shows that the recently published polychlorinated biphenyl (PCB) Abraham solvation parameters predict PCB air−n-hexadecane and n-octanol−water partition coefficients very poorly, especially for highly ortho-chlorinated congeners. Therefore, an updated set of PCB solvation parameters was

Updated Abraham solvation parameters for polychlorinated biphenyls

NARCIS (Netherlands)

Noort, van P.C.M.; Haftka, J.J.H.; Parsons, J.R.

2010-01-01

This study shows that the recently published polychlorinated biphenyl (PCB) Abraham solvation parameters predict PCB air-n-hexadecane and n-octanol-water partition coefficients very poorly, especially for highly ortho-chlorinated congeners. Therefore, an updated set of PCB solvation parameters was

Some hematological and biochemical parameters in smokeless ...

African Journals Online (AJOL)

AJB SERVER

2007-01-04

Jan 4, 2007 ... The effect of Jharda powder (smokeless tobacco) on some hematological and biochemical parameters in consumers was investigated. Hematological parameters including hemoglobin content and white blood cell and leukocyte counts were higher in jharda powder consumers, while monocytes and.

ASSESSING CUSTOMER SATISFACTION BASED ON QoS PARAMETERS

Directory of Open Access Journals (Sweden)

Alem Čolaković

2017-03-01

Full Text Available Measurement of customer sastisfaction is an efficient tool to detect problems in SP (Services Provider and their relationship with customers. Based on this measurement a relationship between customer satisfaction and loyalty can be established. It can determine the influence of key parameters on the number of users of services. The parameters of customer satisfaction and loyalty are numerous and depend on the network (network quality of services parameters, the client (the perception, expectations, beliefs, etc., employees (implementation of activities, technological developments, organizational structure, etc. This paper aims to show the way to identify key indicators and their weighted factors that affect customer satisfaction. This paper intends to emphasize relationship between quality of services, customer perception and loyalty and to present a model for examining the key parameters that significantly influence customer satisfaction and how these parameters influence customer loyalty.

Parameter space of general gauge mediation

International Nuclear Information System (INIS)

Rajaraman, Arvind; Shirman, Yuri; Smidt, Joseph; Yu, Felix

2009-01-01

We study a subspace of General Gauge Mediation (GGM) models which generalize models of gauge mediation. We find superpartner spectra that are markedly different from those of typical gauge and gaugino mediation scenarios. While typical gauge mediation predictions of either a neutralino or stau next-to-lightest supersymmetric particle (NLSP) are easily reproducible with the GGM parameters, chargino and sneutrino NLSPs are generic for many reasonable choices of GGM parameters.

Some hematological and biochemical parameters in smokeless ...

African Journals Online (AJOL)

The effect of Jharda powder (smokeless tobacco) on some hematological and biochemical parameters in consumers was investigated. Hematological parameters including hemoglobin content and white blood cell and leukocyte counts were higher in jharda powder consumers, while monocytes and basophiles counts were ...

Changes in haematological parameters of Tilapia guineensis ...

African Journals Online (AJOL)

Changes in haematological parameters of Tilapia guineensis exposed to different concentrations of detergent under laboratory conditions. ... The experiment evaluated sub-lethal effect of the exposure on some haematological parameters including haemoglobin (Hb), red blood cell (RBC), packed cell volume (PCV), white ...

Single-Channel Blind Estimation of Reverberation Parameters

DEFF Research Database (Denmark)

Doire, C.S.J.; Brookes, M. D.; Naylor, P. A.

2015-01-01

The reverberation of an acoustic channel can be characterised by two frequency-dependent parameters: the reverberation time and the direct-to-reverberant energy ratio. This paper presents an algorithm for blindly determining these parameters from a single-channel speech signal. The algorithm uses...

Parameters control in GAs for dynamic optimization

Directory of Open Access Journals (Sweden)

Khalid Jebari

2013-02-01

Full Text Available The Control of Genetic Algorithms parameters allows to optimize the search process and improves the performance of the algorithm. Moreover it releases the user to dive into a game process of trial and failure to find the optimal parameters.

Study on Parameters Modeling of Wind Turbines Using SCADA Data

Directory of Open Access Journals (Sweden)

Yonglong YAN

2014-08-01

Full Text Available Taking the advantage of the current massive monitoring data from Supervisory Control and Data Acquisition (SCADA system of wind farm, it is of important significance for anomaly detection, early warning and fault diagnosis to build the data model of state parameters of wind turbines (WTs. The operational conditions and the relationships between the state parameters of wind turbines are complex. It is difficult to establish the model of state parameter accurately, and the modeling method of state parameters of wind turbines considering parameter selection is proposed. Firstly, by analyzing the characteristic of SCADA data, a reasonable range of data and monitoring parameters are chosen. Secondly, neural network algorithm is adapted, and the selection method of input parameters in the model is presented. Generator bearing temperature and cooling air temperature are regarded as target parameters, and the two models are built and input parameters of the models are selected, respectively. Finally, the parameter selection method in this paper and the method using genetic algorithm-partial least square (GA-PLS are analyzed comparatively, and the results show that the proposed methods are correct and effective. Furthermore, the modeling of two parameters illustrate that the method in this paper can applied to other state parameters of wind turbines.

Bead-bead interaction parameters in dissipative particle dynamics: Relation to bead-size, solubility parameter, and surface tension

Science.gov (United States)

Maiti, Amitesh; McGrother, Simon

2004-01-01

Dissipative particle dynamics (DPD) is a mesoscale modeling method for simulating equilibrium and dynamical properties of polymers in solution. The basic idea has been around for several decades in the form of bead-spring models. A few years ago, Groot and Warren [J. Chem. Phys. 107, 4423 (1997)] established an important link between DPD and the Flory-Huggins χ-parameter theory for polymer solutions. We revisit the Groot-Warren theory and investigate the DPD interaction parameters as a function of bead size. In particular, we show a consistent scheme of computing the interfacial tension in a segregated binary mixture. Results for three systems chosen for illustration are in excellent agreement with experimental results. This opens the door for determining DPD interactions using interfacial tension as a fitting parameter.

Some tests for parameter constancy in cointegrated VAR-models

DEFF Research Database (Denmark)

Hansen, Henrik; Johansen, Søren

1999-01-01

Some methods for the evaluation of parameter constancy in vector autoregressive (VAR) models are discussed. Two different ways of re-estimating the VAR model are proposed; one in which all parameters are estimated recursively based upon the likelihood function for the first observations, and anot...... be applied to test the constancy of the long-run parameters in the cointegrated VAR-model. All results are illustrated using a model for the term structure of interest rates on US Treasury securities. ......Some methods for the evaluation of parameter constancy in vector autoregressive (VAR) models are discussed. Two different ways of re-estimating the VAR model are proposed; one in which all parameters are estimated recursively based upon the likelihood function for the first observations......, and another in which the cointegrating relations are estimated recursively from a likelihood function, where the short-run parameters have been concentrated out. We suggest graphical procedures based on recursively estimated eigenvalues to evaluate the constancy of the long-run parameters in the model...

A Comparative Study of Distribution System Parameter Estimation Methods

Energy Technology Data Exchange (ETDEWEB)

Sun, Yannan; Williams, Tess L.; Gourisetti, Sri Nikhil Gup

2016-07-17

In this paper, we compare two parameter estimation methods for distribution systems: residual sensitivity analysis and state-vector augmentation with a Kalman filter. These two methods were originally proposed for transmission systems, and are still the most commonly used methods for parameter estimation. Distribution systems have much lower measurement redundancy than transmission systems. Therefore, estimating parameters is much more difficult. To increase the robustness of parameter estimation, the two methods are applied with combined measurement snapshots (measurement sets taken at different points in time), so that the redundancy for computing the parameter values is increased. The advantages and disadvantages of both methods are discussed. The results of this paper show that state-vector augmentation is a better approach for parameter estimation in distribution systems. Simulation studies are done on a modified version of IEEE 13-Node Test Feeder with varying levels of measurement noise and non-zero error in the other system model parameters.

Failure probability under parameter uncertainty.

Science.gov (United States)

Gerrard, R; Tsanakas, A

2011-05-01

In many problems of risk analysis, failure is equivalent to the event of a random risk factor exceeding a given threshold. Failure probabilities can be controlled if a decisionmaker is able to set the threshold at an appropriate level. This abstract situation applies, for example, to environmental risks with infrastructure controls; to supply chain risks with inventory controls; and to insurance solvency risks with capital controls. However, uncertainty around the distribution of the risk factor implies that parameter error will be present and the measures taken to control failure probabilities may not be effective. We show that parameter uncertainty increases the probability (understood as expected frequency) of failures. For a large class of loss distributions, arising from increasing transformations of location-scale families (including the log-normal, Weibull, and Pareto distributions), the article shows that failure probabilities can be exactly calculated, as they are independent of the true (but unknown) parameters. Hence it is possible to obtain an explicit measure of the effect of parameter uncertainty on failure probability. Failure probability can be controlled in two different ways: (1) by reducing the nominal required failure probability, depending on the size of the available data set, and (2) by modifying of the distribution itself that is used to calculate the risk control. Approach (1) corresponds to a frequentist/regulatory view of probability, while approach (2) is consistent with a Bayesian/personalistic view. We furthermore show that the two approaches are consistent in achieving the required failure probability. Finally, we briefly discuss the effects of data pooling and its systemic risk implications. © 2010 Society for Risk Analysis.

Psychophysical parameters of a multidimensional pain scale in newborns

International Nuclear Information System (INIS)

De Oliveira, M V M; De Jesus, J A L; Tristao, R M

2012-01-01

The Premature Infant Pain Profile (PIPP) is a promising multidimensional tool for comparison and testing of new technologies in newborn pain assessment studies since it may adhere to basic psychophysical parameters of intensity, direction, reactivity, regulation and slope described in analyses of physiological pain indicators. The aim of this study was to evaluate whether these psychophysical parameters can be achieved using the PIPP in acute pain assessment. Thirty-six healthy term newborn infants were conveniently sampled whilst being videotaped before, during and after heel prick blood sampling. The images were blind-scored by three trained independent raters and scored against the PIPP. The PIPP and its facial action indicators met the parameters of intensity, reactivity and regulation (all p < 0.001). The heart rate variability did not meet any parameter (all p > 0.05). The oxygen saturation variability met only the intensity parameter (p < 0.05). The behavioural state indicator met all parameters and had the best correlation to the psychophysical parameters of all indicators of PIPP (all p < 0.001). We concluded that the overall PIPP meets the assumptions of these psychophysical parameters, being the behavioural state indicator which best fit the model. (paper)

Infrared Drying Parameter Optimization

Science.gov (United States)

Jackson, Matthew R.

In recent years, much research has been done to explore direct printing methods, such as screen and inkjet printing, as alternatives to the traditional lithographic process. The primary motivation is reduction of the material costs associated with producing common electronic devices. Much of this research has focused on developing inkjet or screen paste formulations that can be printed on a variety of substrates, and which have similar conductivity performance to the materials currently used in the manufacturing of circuit boards and other electronic devices. Very little research has been done to develop a process that would use direct printing methods to manufacture electronic devices in high volumes. This study focuses on developing and optimizing a drying process for conductive copper ink in a high volume manufacturing setting. Using an infrared (IR) dryer, it was determined that conductive copper prints could be dried in seconds or minutes as opposed to tens of minutes or hours that it would take with other drying devices, such as a vacuum oven. In addition, this study also identifies significant parameters that can affect the conductivity of IR dried prints. Using designed experiments and statistical analysis; the dryer parameters were optimized to produce the best conductivity performance for a specific ink formulation and substrate combination. It was determined that for an ethylene glycol, butanol, 1-methoxy 2- propanol ink formulation printed on Kapton, the optimal drying parameters consisted of a dryer height of 4 inches, a temperature setting between 190 - 200°C, and a dry time of 50-65 seconds depending on the printed film thickness as determined by the number of print passes. It is important to note that these parameters are optimized specifically for the ink formulation and substrate used in this study. There is still much research that needs to be done into optimizing the IR dryer for different ink substrate combinations, as well as developing a

Parameter identification in the logistic STAR model

DEFF Research Database (Denmark)

Ekner, Line Elvstrøm; Nejstgaard, Emil

We propose a new and simple parametrization of the so-called speed of transition parameter of the logistic smooth transition autoregressive (LSTAR) model. The new parametrization highlights that a consequence of the well-known identification problem of the speed of transition parameter is that th...

State Estimation-based Transmission line parameter identification

Directory of Open Access Journals (Sweden)

Fredy Andrés Olarte Dussán

2010-01-01

Full Text Available This article presents two state-estimation-based algorithms for identifying transmission line parameters. The identification technique used simultaneous state-parameter estimation on an artificial power system composed of several copies of the same transmission line, using measurements at different points in time. The first algorithm used active and reactive power measurements at both ends of the line. The second method used synchronised phasor voltage and current measurements at both ends. The algorithms were tested in simulated conditions on the 30-node IEEE test system. All line parameters for this system were estimated with errors below 1%.

Application of spreadsheet to estimate infiltration parameters

Directory of Open Access Journals (Sweden)

Mohammad Zakwan

2016-09-01

Full Text Available Infiltration is the process of flow of water into the ground through the soil surface. Soil water although contributes a negligible fraction of total water present on earth surface, but is of utmost importance for plant life. Estimation of infiltration rates is of paramount importance for estimation of effective rainfall, groundwater recharge, and designing of irrigation systems. Numerous infiltration models are in use for estimation of infiltration rates. The conventional graphical approach for estimation of infiltration parameters often fails to estimate the infiltration parameters precisely. The generalised reduced gradient (GRG solver is reported to be a powerful tool for estimating parameters of nonlinear equations and it has, therefore, been implemented to estimate the infiltration parameters in the present paper. Field data of infiltration rate available in literature for sandy loam soils of Umuahia, Nigeria were used to evaluate the performance of GRG solver. A comparative study of graphical method and GRG solver shows that the performance of GRG solver is better than that of conventional graphical method for estimation of infiltration rates. Further, the performance of Kostiakov model has been found to be better than the Horton and Philip's model in most of the cases based on both the approaches of parameter estimation.

Calibration of discrete element model parameters: soybeans

Science.gov (United States)

Ghodki, Bhupendra M.; Patel, Manish; Namdeo, Rohit; Carpenter, Gopal

2018-05-01

Discrete element method (DEM) simulations are broadly used to get an insight of flow characteristics of granular materials in complex particulate systems. DEM input parameters for a model are the critical prerequisite for an efficient simulation. Thus, the present investigation aims to determine DEM input parameters for Hertz-Mindlin model using soybeans as a granular material. To achieve this aim, widely acceptable calibration approach was used having standard box-type apparatus. Further, qualitative and quantitative findings such as particle profile, height of kernels retaining the acrylic wall, and angle of repose of experiments and numerical simulations were compared to get the parameters. The calibrated set of DEM input parameters includes the following (a) material properties: particle geometric mean diameter (6.24 mm); spherical shape; particle density (1220 kg m^{-3} ), and (b) interaction parameters such as particle-particle: coefficient of restitution (0.17); coefficient of static friction (0.26); coefficient of rolling friction (0.08), and particle-wall: coefficient of restitution (0.35); coefficient of static friction (0.30); coefficient of rolling friction (0.08). The results may adequately be used to simulate particle scale mechanics (grain commingling, flow/motion, forces, etc) of soybeans in post-harvest machinery and devices.

Determination of the atrazine migration parameters in Vertisol

Science.gov (United States)

Raymundo-Raymundo, E.; Hernandez-Vargas, J.; Nikol'Skii, Yu. N.; Guber, A. K.; Gavi-Reyes, F.; Prado-Pano, B. L.; Figueroa-Sandoval, B.; Mendosa-Hernandez, J. R.

2010-05-01

The parameters of the atrazine migration in columns with undisturbed Vertisol sampled from an irrigated plot in Guanajuato, Mexico were determined. A model of the convection-dispersion transport of the chemical compounds accounting for the decomposition and equilibrium adsorption, which is widely applied for assessing the risk of contamination of natural waters with pesticides, was used. The model parameters were obtained by solving the inverse problem of the transport equation on the basis of laboratory experiments on the transport of the 18O isotope and atrazine in soil columns with an undisturbed structure at three filtration velocities. The model adequately described the experimental data at the individual selection of the parameters for each output curve. Physically unsubstantiated parameters of the atrazine adsorption and degradation were obtained when the parameter of the hydrodynamic dispersion was determined from the data on the 18O migration. The simulation also showed that the use of parameters obtained at water content close to saturation in the calculations for an unsaturated soil resulted in the overestimation of the leaching rate and the maximum concentration of atrazine in the output curve compared to the experimental data.

Analysis of glottal source parameters in Parkinsonian speech.

Science.gov (United States)

Hanratty, Jane; Deegan, Catherine; Walsh, Mary; Kirkpatrick, Barry

2016-08-01

Diagnosis and monitoring of Parkinson's disease has a number of challenges as there is no definitive biomarker despite the broad range of symptoms. Research is ongoing to produce objective measures that can either diagnose Parkinson's or act as an objective decision support tool. Recent research on speech based measures have demonstrated promising results. This study aims to investigate the characteristics of the glottal source signal in Parkinsonian speech. An experiment is conducted in which a selection of glottal parameters are tested for their ability to discriminate between healthy and Parkinsonian speech. Results for each glottal parameter are presented for a database of 50 healthy speakers and a database of 16 speakers with Parkinsonian speech symptoms. Receiver operating characteristic (ROC) curves were employed to analyse the results and the area under the ROC curve (AUC) values were used to quantify the performance of each glottal parameter. The results indicate that glottal parameters can be used to discriminate between healthy and Parkinsonian speech, although results varied for each parameter tested. For the task of separating healthy and Parkinsonian speech, 2 out of the 7 glottal parameters tested produced AUC values of over 0.9.

Statistical analysis of dynamic parameters of the core

International Nuclear Information System (INIS)

Ionov, V.S.

2007-01-01

The transients of various types were investigated for the cores of zero power critical facilities in RRC KI and NPP. Dynamic parameters of neutron transients were explored by tool statistical analysis. Its have sufficient duration, few channels for currents of chambers and reactivity and also some channels for technological parameters. On these values the inverse period. reactivity, lifetime of neutrons, reactivity coefficients and some effects of a reactivity are determinate, and on the values were restored values of measured dynamic parameters as result of the analysis. The mathematical means of statistical analysis were used: approximation(A), filtration (F), rejection (R), estimation of parameters of descriptive statistic (DSP), correlation performances (kk), regression analysis(KP), the prognosis (P), statistician criteria (SC). The calculation procedures were realized by computer language MATLAB. The reasons of methodical and statistical errors are submitted: inadequacy of model operation, precision neutron-physical parameters, features of registered processes, used mathematical model in reactivity meters, technique of processing for registered data etc. Examples of results of statistical analysis. Problems of validity of the methods used for definition and certification of values of statistical parameters and dynamic characteristics are considered (Authors)

Footprint parameters as a measure of arch height.

Science.gov (United States)

Hawes, M R; Nachbauer, W; Sovak, D; Nigg, B M

1992-01-01

The human foot has frequently been categorized into arch height groups based upon analysis of footprint parameters. This study investigates the relationship between directly measured arch height and many of the footprint parameters that have been assumed to represent arch height. A total of 115 male subjects were measured and footprint parameters were calculated from digitized outlines. Correlation and regression analyses were used to determine the relationship between footprint measures and arch height. It may be concluded from the results that footprint parameters proposed in the literature (arch angle, footprint index, and arch index) and two further parameters suggested in this study (arch length index and truncated arch index) are invalid as a basis for prediction or categorization of arch height. The categorization of the human foot according to the footprint measures evaluated in this paper represent no more than indices and angles of the plantar surface of the foot itself.

Parameter and State Estimator for State Space Models

Directory of Open Access Journals (Sweden)

Ruifeng Ding

2014-01-01

Full Text Available This paper proposes a parameter and state estimator for canonical state space systems from measured input-output data. The key is to solve the system state from the state equation and to substitute it into the output equation, eliminating the state variables, and the resulting equation contains only the system inputs and outputs, and to derive a least squares parameter identification algorithm. Furthermore, the system states are computed from the estimated parameters and the input-output data. Convergence analysis using the martingale convergence theorem indicates that the parameter estimates converge to their true values. Finally, an illustrative example is provided to show that the proposed algorithm is effective.

Zener Diode Compact Model Parameter Extraction Using Xyce-Dakota Optimization.

Energy Technology Data Exchange (ETDEWEB)

Buchheit, Thomas E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wilcox, Ian Zachary [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandoval, Andrew J [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Reza, Shahed [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-12-01

This report presents a detailed process for compact model parameter extraction for DC circuit Zener diodes. Following the traditional approach of Zener diode parameter extraction, circuit model representation is defined and then used to capture the different operational regions of a real diode's electrical behavior. The circuit model contains 9 parameters represented by resistors and characteristic diodes as circuit model elements. The process of initial parameter extraction, the identification of parameter values for the circuit model elements, is presented in a way that isolates the dependencies between certain electrical parameters and highlights both the empirical nature of the extraction and portions of the real diode physical behavior which of the parameters are intended to represent. Optimization of the parameters, a necessary part of a robost parameter extraction process, is demonstrated using a 'Xyce-Dakota' workflow, discussed in more detail in the report. Among other realizations during this systematic approach of electrical model parameter extraction, non-physical solutions are possible and can be difficult to avoid because of the interdependencies between the different parameters. The process steps described are fairly general and can be leveraged for other types of semiconductor device model extractions. Also included in the report are recommendations for experiment setups for generating optimum dataset for model extraction and the Parameter Identification and Ranking Table (PIRT) for Zener diodes.

Models for estimating photosynthesis parameters from in situ production profiles

Science.gov (United States)

Kovač, Žarko; Platt, Trevor; Sathyendranath, Shubha; Antunović, Suzana

2017-12-01

The rate of carbon assimilation in phytoplankton primary production models is mathematically prescribed with photosynthesis irradiance functions, which convert a light flux (energy) into a material flux (carbon). Information on this rate is contained in photosynthesis parameters: the initial slope and the assimilation number. The exactness of parameter values is crucial for precise calculation of primary production. Here we use a model of the daily production profile based on a suite of photosynthesis irradiance functions and extract photosynthesis parameters from in situ measured daily production profiles at the Hawaii Ocean Time-series station Aloha. For each function we recover parameter values, establish parameter distributions and quantify model skill. We observe that the choice of the photosynthesis irradiance function to estimate the photosynthesis parameters affects the magnitudes of parameter values as recovered from in situ profiles. We also tackle the problem of parameter exchange amongst the models and the effect it has on model performance. All models displayed little or no bias prior to parameter exchange, but significant bias following parameter exchange. The best model performance resulted from using optimal parameter values. Model formulation was extended further by accounting for spectral effects and deriving a spectral analytical solution for the daily production profile. The daily production profile was also formulated with time dependent growing biomass governed by a growth equation. The work on parameter recovery was further extended by exploring how to extract photosynthesis parameters from information on watercolumn production. It was demonstrated how to estimate parameter values based on a linearization of the full analytical solution for normalized watercolumn production and from the solution itself, without linearization. The paper complements previous works on photosynthesis irradiance models by analysing the skill and consistency of

A real time S-parameter imaging system

International Nuclear Information System (INIS)

Naik, P.S.; Cheung, C.K.; Beling, C.D.; Fung, S.

2005-01-01

Obtaining a lateral S-parameter image scan from positrons implanted into semiconductor devices can be a helpful research tool both for localizing device structures and in diagnosing defect patterns that could help interpret function. S-parameter images can be obtained by electromagnetically rastering a variable energy positron beam of small spot size across the sample. Here we describe a general hardware and software architecture of relatively low cost that has recently been developed in our laboratory which allows the whole sub-surface S-parameter image of a sample or device to be obtained in real time. This system has the advantage over more conventional sequential scanning techniques of allowing the operator to terminate data collection once the quality of the image is deemed sufficient. As an example of the usefulness of this type of imaging architecture, S-parameter images of a representative sample are presented at two different position implantation energies. (author)

Mathematical determination of setup parameters for carcinoma breast cases

International Nuclear Information System (INIS)

Prasad, P.B.L.D.; Suresh, P.; Sridhar, A.

2008-01-01

Determining proper patient set up parameters like IFD, Gantry angles and field width in Ca Breast are prime important to achieve precise treatment. In a center where 3D Treatment Planning Systems (TPS) and simulator are not available to determine the set up parameters, contouring of target region is essential which is time consuming. The mathematical formula described here provides instant patient set up parameters using machine parameters. (author)

Measuring the chargino parameters

Indian Academy of Sciences (India)

by measuring the cross-sections with polarized beams at e+e- collider ... is given by the fundamental SUSY parameters: the SU(2) gaugino mass Е¾, the higgsino .... two points in the plane which are symmetric under the interchange ¾Д ° ¾К.

Delivery parameters, neonatal parameters and incidence of urinary incontinence six months postpartum: a cohort study.

Science.gov (United States)

Wesnes, Stian Langeland; Hannestad, Yngvild; Rortveit, Guri

2017-10-01

Contradictory results have been reported regarding most delivery parameters as risk factors for urinary incontinence. We investigated the association between the incidence of urinary incontinence six months postpartum and single obstetric risk factors as well as combinations of risk factors. This study was based on the Norwegian Mother and Child Cohort Study, conducted by the Norwegian Institute of Public Health during 1998-2008. This substudy was based on 7561 primiparous women who were continent before and during pregnancy. Data were obtained from questionnaires answered at weeks 15 and 30 of pregnancy and six months postpartum. Data were linked to the Medical Birth Registry of Norway. Single and combined delivery- and neonatal parameters were analyzed by logistic regression analyses. Birthweight was associated with significantly higher risk of urinary incontinence six months postpartum [3541-4180 g: odds ratio (OR) 1.4, 95% confidence interval (CI) 1.2-1.6; >4180 g: OR 1.6, 95% CI 1.2-2.0]. Fetal presentation, obstetric anal sphincter injuries, episiotomy and epidural analgesia were not significantly associated with increased risk of urinary incontinence. The following combinations of risk factors among women delivering by spontaneous vaginal delivery increased the risk of urinary incontinence six months postpartum; birthweight ≥3540 g and ≥36 cm head circumference; birthweight ≥3540 g and forceps, birthweight ≥3540 g and episiotomy; and ≥36 cm head circumference and episiotomy. Some combinations of delivery parameters and neonatal parameters seem to act together and may increase the risk of incidence of urinary incontinence six months postpartum in a synergetic way. © 2017 Nordic Federation of Societies of Obstetrics and Gynecology.

Liquid metals. Coexistence line, critical parameters, compressibility

International Nuclear Information System (INIS)

Filippov, L.P.

1986-01-01

Formulae to calculate four characteristic parameters of liquid metals (density, compressibility, critical temperature and individual parameter) according to four initial data are obtained: two values of vapor density and two values of vapor pressure. Comparison between experimental and calculation results are presented for liquid Cs, Na, Li, K, Rb

Spectral Properties and Orientation of Voltage-Sensitive Dyes in Lipid Membranes

KAUST Repository

Matson, Maria

2012-07-24

Voltage-sensitive dyes are frequently used for probing variations in the electric potential across cell membranes. The dyes respond by changing their spectral properties: measured as shifts of wavelength of absorption or emission maxima or as changes of absorption or fluorescence intensity. Although such probes have been studied and used for decades, the mechanism behind their voltage sensitivity is still obscure. We ask whether the voltage response is due to electrochromism as a result of direct field interaction on the chromophore or to solvatochromism, which is the focus of this study, as result of changed environment or molecular alignment in the membrane. The spectral properties of three styryl dyes, di-4-ANEPPS, di-8-ANEPPS, and RH421, were investigated in solvents of varying polarity and in model membranes using spectroscopy. Using quantum mechanical calculations, the spectral dependence of monomer and dimer ANEPPS on solvent properties was modeled. Also, the kinetics of binding to lipid membranes and the binding geometry of the probe molecules were found relevant to address. The spectral properties of all three probes were found to be highly sensitive to the local environment, and the probes are oriented nearly parallel with the membrane normal. Slow binding kinetics and scattering in absorption spectra indicate, especially for di-8-ANEPPS, involvement of aggregation. On the basis of the experimental spectra and time-dependent density functional theory calculations, we find that aggregate formation may contribute to the blue-shifts seen for the dyes in decanol and when bound to membrane models. In conclusion, solvatochromic and other intermolecular interactions effects also need to be included when considering electrochromic response voltage-sensitive dyes. © 2012 American Chemical Society.

Advantageous Microwave-Assisted Suzuki Polycondensation for the Synthesis of Aniline-Fluorene Alternate Copolymers as Molecular Model with Solvent Sensing Properties

Directory of Open Access Journals (Sweden)

Rebeca Vázquez-Guilló

2018-02-01

Full Text Available Polymerization via Suzuki coupling under microwave (µW irradiation has been studied for the synthesis of poly{1,4-(2/3-aminobenzene-alt-2,7-(9,9-dihexylfluorene} (PAF, chosen as molecular model. Briefly, µW-assisted procedures accelerated by two orders of magnitude the time required when using classical polymerization processes, and the production yield was increased (>95%. In contrast, although the sizes of the polymers that were obtained by non-conventional heating reactions were reproducible and adequate for most applications, with this methodology the molecular weight of final polymers were not increased with respect to conventional heating. Asymmetric orientation of the amine group within the monomer and the assignments of each dyad or regioregularity, whose values ranged from 38% to 95% with this molecule, were analysed using common NMR spectroscopic data. Additionally, the synthesis of a new cationic polyelectrolyte, poly{1,4-(2/3-aminobenzene-co-alt-2,7-[9,9´-bis(6’’-N,N,N-trimethylammonium-hexylfluorene]} dibromide (PAFAm, from poly{1,4-(2/3-aminobenzene-co-alt-2,7-[9,9´-bis(6’’-bromohexylfluorene]} (PAFBr by using previously optimized conditions for µW-assisted heating procedures was reported. Finally, the characterization of the final products from these batches showed unkown interesting solvatochromic properties of the PAF molecule. The study of the solvatochromism phenomena, which was investigated as a function of the polarity of the solvents, showed a well-defined Lippert correlation, indicating that the emission shift observed in PAF might be due to its interaction with surrounding environment. Proven high sensitivity to changes of its environment makes PAF a promising candidate of sensing applications.

Harmony Search Based Parameter Ensemble Adaptation for Differential Evolution

Directory of Open Access Journals (Sweden)

Rammohan Mallipeddi

2013-01-01

Full Text Available In differential evolution (DE algorithm, depending on the characteristics of the problem at hand and the available computational resources, different strategies combined with a different set of parameters may be effective. In addition, a single, well-tuned combination of strategies and parameters may not guarantee optimal performance because different strategies combined with different parameter settings can be appropriate during different stages of the evolution. Therefore, various adaptive/self-adaptive techniques have been proposed to adapt the DE strategies and parameters during the course of evolution. In this paper, we propose a new parameter adaptation technique for DE based on ensemble approach and harmony search algorithm (HS. In the proposed method, an ensemble of parameters is randomly sampled which form the initial harmony memory. The parameter ensemble evolves during the course of the optimization process by HS algorithm. Each parameter combination in the harmony memory is evaluated by testing them on the DE population. The performance of the proposed adaptation method is evaluated using two recently proposed strategies (DE/current-to-pbest/bin and DE/current-to-gr_best/bin as basic DE frameworks. Numerical results demonstrate the effectiveness of the proposed adaptation technique compared to the state-of-the-art DE based algorithms on a set of challenging test problems (CEC 2005.

A software for parameter estimation in dynamic models

Directory of Open Access Journals (Sweden)

M. Yuceer

2008-12-01

Full Text Available A common problem in dynamic systems is to determine parameters in an equation used to represent experimental data. The goal is to determine the values of model parameters that provide the best fit to measured data, generally based on some type of least squares or maximum likelihood criterion. In the most general case, this requires the solution of a nonlinear and frequently non-convex optimization problem. Some of the available software lack in generality, while others do not provide ease of use. A user-interactive parameter estimation software was needed for identifying kinetic parameters. In this work we developed an integration based optimization approach to provide a solution to such problems. For easy implementation of the technique, a parameter estimation software (PARES has been developed in MATLAB environment. When tested with extensive example problems from literature, the suggested approach is proven to provide good agreement between predicted and observed data within relatively less computing time and iterations.

Statistical inference involving binomial and negative binomial parameters.

Science.gov (United States)

García-Pérez, Miguel A; Núñez-Antón, Vicente

2009-05-01

Statistical inference about two binomial parameters implies that they are both estimated by binomial sampling. There are occasions in which one aims at testing the equality of two binomial parameters before and after the occurrence of the first success along a sequence of Bernoulli trials. In these cases, the binomial parameter before the first success is estimated by negative binomial sampling whereas that after the first success is estimated by binomial sampling, and both estimates are related. This paper derives statistical tools to test two hypotheses, namely, that both binomial parameters equal some specified value and that both parameters are equal though unknown. Simulation studies are used to show that in small samples both tests are accurate in keeping the nominal Type-I error rates, and also to determine sample size requirements to detect large, medium, and small effects with adequate power. Additional simulations also show that the tests are sufficiently robust to certain violations of their assumptions.

Parameter Uncertainty on AGCM-simulated Tropical Cyclones

Science.gov (United States)

He, F.

2015-12-01

This work studies the parameter uncertainty on tropical cyclone (TC) simulations in Atmospheric General Circulation Models (AGCMs) using the Reed-Jablonowski TC test case, which is illustrated in Community Atmosphere Model (CAM). It examines the impact from 24 parameters across the physical parameterization schemes that represent the convection, turbulence, precipitation and cloud processes in AGCMs. The one-at-a-time (OAT) sensitivity analysis method first quantifies their relative importance on TC simulations and identifies the key parameters to the six different TC characteristics: intensity, precipitation, longwave cloud radiative forcing (LWCF), shortwave cloud radiative forcing (SWCF), cloud liquid water path (LWP) and ice water path (IWP). Then, 8 physical parameters are chosen and perturbed using the Latin-Hypercube Sampling (LHS) method. The comparison between OAT ensemble run and LHS ensemble run shows that the simulated TC intensity is mainly affected by the parcel fractional mass entrainment rate in Zhang-McFarlane (ZM) deep convection scheme. The nonlinear interactive effect among different physical parameters is negligible on simulated TC intensity. In contrast, this nonlinear interactive effect plays a significant role in other simulated tropical cyclone characteristics (precipitation, LWCF, SWCF, LWP and IWP) and greatly enlarge their simulated uncertainties. The statistical emulator Extended Multivariate Adaptive Regression Splines (EMARS) is applied to characterize the response functions for nonlinear effect. Last, we find that the intensity uncertainty caused by physical parameters is in a degree comparable to uncertainty caused by model structure (e.g. grid) and initial conditions (e.g. sea surface temperature, atmospheric moisture). These findings suggest the importance of using the perturbed physics ensemble (PPE) method to revisit tropical cyclone prediction under climate change scenario.

Bayesian estimation of Weibull distribution parameters

International Nuclear Information System (INIS)

Bacha, M.; Celeux, G.; Idee, E.; Lannoy, A.; Vasseur, D.

1994-11-01

In this paper, we expose SEM (Stochastic Expectation Maximization) and WLB-SIR (Weighted Likelihood Bootstrap - Sampling Importance Re-sampling) methods which are used to estimate Weibull distribution parameters when data are very censored. The second method is based on Bayesian inference and allow to take into account available prior informations on parameters. An application of this method, with real data provided by nuclear power plants operation feedback analysis has been realized. (authors). 8 refs., 2 figs., 2 tabs

One-parameter Darboux transformations in thermodynamics

International Nuclear Information System (INIS)

Rosu, Haret C.

2002-01-01

The quantum oscillator thermodynamic actions are the conjugate intensive parameters for the frequency in any frequency changing process. These oscillator actions fulfill simple Riccati equations. Interesting Darboux transformations of the fundamental Planck and pure vacuum actions are discussed here in some detail. It is shown that the one-parameter 'Darboux-Transformed-Thermodynamics' refers to superpositions of boson and fermion excitations of positive and negative absolute temperature, respectively. A Darboux generalization of the fluctuation-dissipation theorem is also briefly sketched

Graph Treewidth and Geometric Thickness Parameters

OpenAIRE

Dujmović, Vida; Wood, David R.

2005-01-01

Consider a drawing of a graph $G$ in the plane such that crossing edges are coloured differently. The minimum number of colours, taken over all drawings of $G$, is the classical graph parameter "thickness". By restricting the edges to be straight, we obtain the "geometric thickness". By further restricting the vertices to be in convex position, we obtain the "book thickness". This paper studies the relationship between these parameters and treewidth. Our first main result states that for grap...

Selecting Design Parameters for Flying Vehicles

Science.gov (United States)

Makeev, V. I.; Strel'nikova, E. A.; Trofimenko, P. E.; Bondar', A. V.

2013-09-01

Studying the influence of a number of design parameters of solid-propellant rockets on the longitudinal and lateral dispersion is an important applied problem. A mathematical model of a rigid body of variable mass moving in a disturbed medium exerting both wave drag and friction is considered. The model makes it possible to determine the coefficients of aerodynamic forces and moments, which affect the motion of vehicles, and to assess the effect of design parameters on their accuracy

ECOS - analysis of sensitivity to database and input parameters

International Nuclear Information System (INIS)

Sumerling, T.J.; Jones, C.H.

1986-06-01

The sensitivity of doses calculated by the generic biosphere code ECOS to parameter changes has been investigated by the authors for the Department of the Environment as part of its radioactive waste management research programme. The sensitivity of results to radionuclide dependent parameters has been tested by specifying reasonable parameter ranges and performing code runs for best estimate, upper-bound and lower-bound parameter values. The work indicates that doses are most sensitive to scenario parameters: geosphere input fractions, area of contaminated land, land use and diet, flux of contaminated waters and water use. Recommendations are made based on the results of sensitivity. (author)

A new concept of safety parameter display system

International Nuclear Information System (INIS)

Martinez, A.S.; Oliveira, L.F.S. de; Schirru, R.; Thome Filho, Z.D.; Silva, R.A. da.

1986-07-01

A general description of Angra-1 Parameter Display System (SSPA), a real time and on-line computerized monitoring system for the parameters related to the power plant safety is presented. This system has the main purpose of diminish the load on the Angra-1 power plant operators at an emergency event by supplying them with the additional tools serving as the basis for a prompt identification of the accident. The SSPA is a kind of safety parameter display system whose concept was introduced after Three Mile Island accident in USA. The SSPA comprises two nuclear applications independently considered. They are included into the Parameters Monitoring Integrated System (SIMP) and the safety critical function system (SFCS). (Author) [pt

New evaluation of 238U neutron resonance parameters

International Nuclear Information System (INIS)

Derrien, Herve; Leal, Luiz C.; Larson, Nancy M.

2003-01-01

The neutron resonance parameters of 238 U were obtained in the energy range 1 keV to 20 keV from a SAMMY Reich-Moore analysis of high resolution transmission measurements performed at ORELA. In the energy range 1 keV to 10 keV, the analysis used as prior values the ENDF/B-VI resonance parameters. The analysis in the energy range 10 keV to 20 keV resulted in the creation of a set of resonance parameters for the representation of the cross section in this energy range. The results are compared to the ENDF/B-VI evaluation. Some statistical properties of the new resonance parameters are examined. (author)

Extraction of Dunham coefficients from Murrell-Sorbie parameters

International Nuclear Information System (INIS)

Lim Teikcheng

2008-01-01

A set of relationships between parameters of the Dunham and Murrell-Sorbie potential energy function is developed. By employing Taylor series expansion and comparison of terms arranged in increasing order of bond length, a set of Dunham coefficients is obtained as functions of Murrell- Sorbie parameters. The conversion functions reveal the importance of factorials in extracting Dunham coefficients from Murrell-Sorbie parameters. Plots of both functions, based on parameters of the latter, reveal good correlation near the equilibrium bond length for a group of diatomic molecules. Potential function relations, such as that shown in this paper, are useful when the preferred/reliable data is based on a potential function different from that adopted in available computational software. (orig.)

LMFBR plant parameters

International Nuclear Information System (INIS)

1979-03-01

This document contains up-to-date data on existing or firmly decided prototype or demonstration LMFBR reactors (Table I), on planned commercial size LMFBR according to the present status of design (Table II) and on experimental fast reactors such as BOR-60, DFR, EBR-II, FERMI, FFTF, JOYO, KNK-II, PEC, RAPSODIE-FORTISSIMO (Table III). Only corrected and revised parameters submitted by the countries participating in the IWGFR are included in this document

Qualitative Parameters of Practice during University Studies

Science.gov (United States)

Stasiunaitiene, Egle; Norkute, Odeta

2011-01-01

In this article, relevance of practice during university studies is highlighted, as well as the main stages of its organisation, qualitative parameters, as well as criteria and indicators that validate them are defined. Discussion on the idea that taking into consideration qualitative parameters of organising practice as a component of studies…

Incorporating model parameter uncertainty into inverse treatment planning

International Nuclear Information System (INIS)

Lian Jun; Xing Lei

2004-01-01

Radiobiological treatment planning depends not only on the accuracy of the models describing the dose-response relation of different tumors and normal tissues but also on the accuracy of tissue specific radiobiological parameters in these models. Whereas the general formalism remains the same, different sets of model parameters lead to different solutions and thus critically determine the final plan. Here we describe an inverse planning formalism with inclusion of model parameter uncertainties. This is made possible by using a statistical analysis-based frameset developed by our group. In this formalism, the uncertainties of model parameters, such as the parameter a that describes tissue-specific effect in the equivalent uniform dose (EUD) model, are expressed by probability density function and are included in the dose optimization process. We found that the final solution strongly depends on distribution functions of the model parameters. Considering that currently available models for computing biological effects of radiation are simplistic, and the clinical data used to derive the models are sparse and of questionable quality, the proposed technique provides us with an effective tool to minimize the effect caused by the uncertainties in a statistical sense. With the incorporation of the uncertainties, the technique has potential for us to maximally utilize the available radiobiology knowledge for better IMRT treatment

Estimating Soil Hydraulic Parameters using Gradient Based Approach

Science.gov (United States)

Rai, P. K.; Tripathi, S.

2017-12-01

The conventional way of estimating parameters of a differential equation is to minimize the error between the observations and their estimates. The estimates are produced from forward solution (numerical or analytical) of differential equation assuming a set of parameters. Parameter estimation using the conventional approach requires high computational cost, setting-up of initial and boundary conditions, and formation of difference equations in case the forward solution is obtained numerically. Gaussian process based approaches like Gaussian Process Ordinary Differential Equation (GPODE) and Adaptive Gradient Matching (AGM) have been developed to estimate the parameters of Ordinary Differential Equations without explicitly solving them. Claims have been made that these approaches can straightforwardly be extended to Partial Differential Equations; however, it has been never demonstrated. This study extends AGM approach to PDEs and applies it for estimating parameters of Richards equation. Unlike the conventional approach, the AGM approach does not require setting-up of initial and boundary conditions explicitly, which is often difficult in real world application of Richards equation. The developed methodology was applied to synthetic soil moisture data. It was seen that the proposed methodology can estimate the soil hydraulic parameters correctly and can be a potential alternative to the conventional method.

Environmental Transport Input Parameters for the Biosphere Model

Energy Technology Data Exchange (ETDEWEB)

M. A. Wasiolek

2003-06-27

This analysis report is one of the technical reports documenting the Environmental Radiation Model for Yucca Mountain Nevada (ERMYN), a biosphere model supporting the total system performance assessment (TSPA) for the geologic repository at Yucca Mountain. A graphical representation of the documentation hierarchy for the ERMYN is presented in Figure 1-1. This figure shows relationships among the reports developed for biosphere modeling and biosphere abstraction products for the TSPA, as identified in the ''Technical Work Plan: for Biosphere Modeling and Expert Support'' (TWP) (BSC 2003 [163602]). Some documents in Figure 1-1 may be under development and not available when this report is issued. This figure provides an understanding of how this report contributes to biosphere modeling in support of the license application (LA), but access to the listed documents is not required to understand the contents of this report. This report is one of the reports that develops input parameter values for the biosphere model. The ''Biosphere Model Report'' (BSC 2003 [160699]) describes the conceptual model, the mathematical model, and the input parameters. The purpose of this analysis is to develop biosphere model parameter values related to radionuclide transport and accumulation in the environment. These parameters support calculations of radionuclide concentrations in the environmental media (e.g., soil, crops, animal products, and air) resulting from a given radionuclide concentration at the source of contamination (i.e., either in groundwater or volcanic ash). The analysis was performed in accordance with the TWP (BSC 2003 [163602]). This analysis develops values of parameters associated with many features, events, and processes (FEPs) applicable to the reference biosphere (DTN: M00303SEPFEPS2.000 [162452]), which are addressed in the biosphere model (BSC 2003 [160699]). The treatment of these FEPs is described in BSC (2003 [160699

Environmental Transport Input Parameters for the Biosphere Model

International Nuclear Information System (INIS)

Wasiolek, M. A.

2003-01-01

This analysis report is one of the technical reports documenting the Environmental Radiation Model for Yucca Mountain Nevada (ERMYN), a biosphere model supporting the total system performance assessment (TSPA) for the geologic repository at Yucca Mountain. A graphical representation of the documentation hierarchy for the ERMYN is presented in Figure 1-1. This figure shows relationships among the reports developed for biosphere modeling and biosphere abstraction products for the TSPA, as identified in the ''Technical Work Plan: for Biosphere Modeling and Expert Support'' (TWP) (BSC 2003 [163602]). Some documents in Figure 1-1 may be under development and not available when this report is issued. This figure provides an understanding of how this report contributes to biosphere modeling in support of the license application (LA), but access to the listed documents is not required to understand the contents of this report. This report is one of the reports that develops input parameter values for the biosphere model. The ''Biosphere Model Report'' (BSC 2003 [160699]) describes the conceptual model, the mathematical model, and the input parameters. The purpose of this analysis is to develop biosphere model parameter values related to radionuclide transport and accumulation in the environment. These parameters support calculations of radionuclide concentrations in the environmental media (e.g., soil, crops, animal products, and air) resulting from a given radionuclide concentration at the source of contamination (i.e., either in groundwater or volcanic ash). The analysis was performed in accordance with the TWP (BSC 2003 [163602]). This analysis develops values of parameters associated with many features, events, and processes (FEPs) applicable to the reference biosphere (DTN: M00303SEPFEPS2.000 [162452]), which are addressed in the biosphere model (BSC 2003 [160699]). The treatment of these FEPs is described in BSC (2003 [160699], Section 6.2). Parameter values

Scanning anisotropy parameters in complex media

KAUST Repository

Alkhalifah, Tariq Ali

2011-01-01

Parameter estimation in an inhomogeneous anisotropic medium offers many challenges; chief among them is the trade-off between inhomogeneity and anisotropy. It is especially hard to estimate the anisotropy anellipticity parameter η in complex media. Using perturbation theory and Taylor’s series, I have expanded the solutions of the anisotropic eikonal equation for transversely isotropic (TI) media with a vertical symmetry axis (VTI) in terms of the independent parameter η from a generally inhomogeneous elliptically anisotropic medium background. This new VTI traveltime solution is based on a set of precomputed perturbations extracted from solving linear partial differential equations. The traveltimes obtained from these equations serve as the coefficients of a Taylor-type expansion of the total traveltime in terms of η. Shanks transform is used to predict the transient behavior of the expansion and improve its accuracy using fewer terms. A homogeneous medium simplification of the expansion provides classical nonhyperbolic moveout descriptions of the traveltime that are more accurate than other recently derived approximations. In addition, this formulation provides a tool to scan for anisotropic parameters in a generally inhomogeneous medium background. A Marmousi test demonstrates the accuracy of this approximation. For a tilted axis of symmetry, the equations are still applicable with a slightly more complicated framework because the vertical velocity and δ are not readily available from the data.

Scanning anisotropy parameters in complex media

KAUST Repository

Alkhalifah, Tariq Ali

2011-03-21

Parameter estimation in an inhomogeneous anisotropic medium offers many challenges; chief among them is the trade-off between inhomogeneity and anisotropy. It is especially hard to estimate the anisotropy anellipticity parameter η in complex media. Using perturbation theory and Taylor’s series, I have expanded the solutions of the anisotropic eikonal equation for transversely isotropic (TI) media with a vertical symmetry axis (VTI) in terms of the independent parameter η from a generally inhomogeneous elliptically anisotropic medium background. This new VTI traveltime solution is based on a set of precomputed perturbations extracted from solving linear partial differential equations. The traveltimes obtained from these equations serve as the coefficients of a Taylor-type expansion of the total traveltime in terms of η. Shanks transform is used to predict the transient behavior of the expansion and improve its accuracy using fewer terms. A homogeneous medium simplification of the expansion provides classical nonhyperbolic moveout descriptions of the traveltime that are more accurate than other recently derived approximations. In addition, this formulation provides a tool to scan for anisotropic parameters in a generally inhomogeneous medium background. A Marmousi test demonstrates the accuracy of this approximation. For a tilted axis of symmetry, the equations are still applicable with a slightly more complicated framework because the vertical velocity and δ are not readily available from the data.

UPSILON'(10.01) resonance parameters

International Nuclear Information System (INIS)

Niczyporuk, B.; Zeludziewicz, T.; Chen, K.W.; Hartung, R.

1980-09-01

The resonance parameters of the UPSILON'(10.01) were measured using the LENA detector at the DORIS e + e - storage ring. We obtained a mass of M(UPSILON') = (10 013.6 +- 1.2 +- 10.0) MeV and an electronic width of GAMMAsub(ee)(UPSILON') = (0.53 +- 0.07sup(+0.09)sub(-0.05) keV. The upper limit set to the μ-pair branching ratio is 3.8% which implies a lower limit on the total UPSILON' widUPSILON parameters we obtain a mass difference M(UPSILON') - M(UPSILON) = (552.0 +- 1.3 +- 10.0) MeV and GAMMAsub(ee)UPSILON')/ = 0.43 +- 0.07sup(+0.05)sub(-0.00). (orig.)

Parameter Identification by Bayes Decision and Neural Networks

DEFF Research Database (Denmark)

Kulczycki, P.; Schiøler, Henrik

1994-01-01

The problem of parameter identification by Bayes point estimation using neural networks is investigated.......The problem of parameter identification by Bayes point estimation using neural networks is investigated....

Assessment of the impact of a parameter estimation method for the Nash Model on selected parameters of a catchment discharge hydrograph

Directory of Open Access Journals (Sweden)

Kołodziejczyk Katarzyna

2017-01-01

Full Text Available An analysis of the usefulness of two parameter calculation methods (N and k parameters for the Nash Model was performed to transform effective rainfall into discharge based on two rainfall episodes gauged at the Kostrze gauging station as well as urban development data for the city of Cracow for 2014 and data obtained from a soil and agriculture map. The methods were the Rao et al. method and the Bajkiewicz-Grabowska method for regression relationships between instantaneous unit hydrograph model parameters and the physiographic parameters of a catchment. Effective rainfall was calculated for each rainfall episode using the SCS-CN method. A direct discharge hydrograph was calculated based on an effective rainfall hyetograph and using the Nash Model. Research has found that both studied methods yield comparable results, which indicates that both methods of effective rainfall transformation into discharge are useful. In addition, it has been shown that the impact of the Nash Model parameter estimation method on discharge hydrographs is minimal.

Optimizing incomplete sample designs for item response model parameters

NARCIS (Netherlands)

van der Linden, Willem J.

Several models for optimizing incomplete sample designs with respect to information on the item parameters are presented. The following cases are considered: (1) known ability parameters; (2) unknown ability parameters; (3) item sets with multiple ability scales; and (4) response models with

Accelerated maximum likelihood parameter estimation for stochastic biochemical systems

Directory of Open Access Journals (Sweden)

Daigle Bernie J

2012-05-01

Full Text Available Abstract Background A prerequisite for the mechanistic simulation of a biochemical system is detailed knowledge of its kinetic parameters. Despite recent experimental advances, the estimation of unknown parameter values from observed data is still a bottleneck for obtaining accurate simulation results. Many methods exist for parameter estimation in deterministic biochemical systems; methods for discrete stochastic systems are less well developed. Given the probabilistic nature of stochastic biochemical models, a natural approach is to choose parameter values that maximize the probability of the observed data with respect to the unknown parameters, a.k.a. the maximum likelihood parameter estimates (MLEs. MLE computation for all but the simplest models requires the simulation of many system trajectories that are consistent with experimental data. For models with unknown parameters, this presents a computational challenge, as the generation of consistent trajectories can be an extremely rare occurrence. Results We have developed Monte Carlo Expectation-Maximization with Modified Cross-Entropy Method (MCEM2: an accelerated method for calculating MLEs that combines advances in rare event simulation with a computationally efficient version of the Monte Carlo expectation-maximization (MCEM algorithm. Our method requires no prior knowledge regarding parameter values, and it automatically provides a multivariate parameter uncertainty estimate. We applied the method to five stochastic systems of increasing complexity, progressing from an analytically tractable pure-birth model to a computationally demanding model of yeast-polarization. Our results demonstrate that MCEM2 substantially accelerates MLE computation on all tested models when compared to a stand-alone version of MCEM. Additionally, we show how our method identifies parameter values for certain classes of models more accurately than two recently proposed computationally efficient methods

Measurement of agricultural parameters using wireless sensor network (WSN)

Science.gov (United States)

Guaña-Moya, Javier; Sánchez-Almeida, Tarquino; Salgado-Reyes, Nelson

2018-04-01

The technological advances have allowed to create new applications in telecommunications, applying low power and reduced costs in their equipment, thus achieving the evolution of new wireless networks or also denominated Wireless Sensor Network. These technologies allow the generation of measurements and analysis of environmental parameter data and soil. Precision agriculture requires parameters for the improvement of production, obtained through WSN technologies. This research analyzes the climatic requirements and soil parameters in a rose plantation in a greenhouse at an altitude of 3,100 meters above sea level. In the present investigation, maximum parameters were obtained in the production of roses, which are in the optimum range of production, whereas the minimum parameters of temperature, humidity and luminosity, evidenced that these parameters can damage the plants, since temperatures less than 10 °C slow down the growth of the plant and allow the proliferation of diseases and fungi.

New universality class for superconducting order parameter

International Nuclear Information System (INIS)

Dobroliubov, M.I.; Khlebnikov, S.Yu.

1991-04-01

We present a model of superconductivity with pairing due to Aharonov-Bohm forces. The gap is proportional to the first power of the small parameter (in which the self-consistent perturbation scheme is developed), as opposed to the BCS class of models where the gap is exponentially suppressed with the small parameter. (orig.)

Modifying factors for metabolic parameters

International Nuclear Information System (INIS)

Inaba, Jiro

1990-01-01

Studies on factors which influence the metabolic parameter for calculation of radiation doses from intakes of radionuclides are very important for estimation of the doses for the general public, because the present procedures recommended by the International Commission on Radiological Protection is for occupationally exposed workers and the underlying metabolic and dosimetric models have been developed from studies on adult man and experiments on adult animals and from observations on radionuclides in physico-chemically simple form. Many factors have been reported to influence the metabolic parameters. Among them, the food-chain involvement of radionuclides and the age-dependence in humans and animals are most significant as environmental and physiological factor, respectively. In connection with the age-dependence of dose calculation, the ICRP started a new programme. They organized a Task Group on Age-Dependent Dose-Factors where relevant information on metabolic and biokinetic parameters are presently being reviewed for development of a set of dose factors for the following age-groups: infant, 1-year-old, 5-year-old, 10-year-old, 15-year-old, and ICRP Reference Man. The first stage of the work is for age-dependent integrated organ and effective dose factors for radioisotopes of the following elements: hydrogen, carbon, iodine, cesium, strontium, plutonium and americium. (author)

Kinetic parameter estimation from SPECT cone-beam projection measurements

International Nuclear Information System (INIS)

Huesman, Ronald H.; Reutter, Bryan W.; Zeng, G. Larry; Gullberg, Grant T.

1998-01-01

Kinetic parameters are commonly estimated from dynamically acquired nuclear medicine data by first reconstructing a dynamic sequence of images and subsequently fitting the parameters to time-activity curves generated from regions of interest overlaid upon the image sequence. Biased estimates can result from images reconstructed using inconsistent projections of a time-varying distribution of radiopharmaceutical acquired by a rotating SPECT system. If the SPECT data are acquired using cone-beam collimators wherein the gantry rotates so that the focal point of the collimators always remains in a plane, additional biases can arise from images reconstructed using insufficient, as well as truncated, projection samples. To overcome these problems we have investigated the estimation of kinetic parameters directly from SPECT cone-beam projection data by modelling the data acquisition process. To accomplish this it was necessary to parametrize the spatial and temporal distribution of the radiopharmaceutical within the SPECT field of view. In a simulated chest image volume, kinetic parameters were estimated for simple one-compartment models for four myocardial regions of interest. Myocardial uptake and washout parameters estimated by conventional analysis of noiseless simulated cone-beam data had biases ranging between 3-26% and 0-28%, respectively. Parameters estimated directly from the noiseless projection data were unbiased as expected, since the model used for fitting was faithful to the simulation. Statistical uncertainties of parameter estimates for 10 000 000 events ranged between 0.2-9% for the uptake parameters and between 0.3-6% for the washout parameters. (author)

Exploitation of ISAR Imagery in Euler Parameter Space

National Research Council Canada - National Science Library

Baird, Christopher; Kersey, W. T; Giles, R; Nixon, W. E

2005-01-01

.... The Euler parameters have potential value in target classification but have historically met with limited success due to ambiguities that arise in decomposition as well as the parameters' sensitivity...

Identifying the connective strength between model parameters and performance criteria

Directory of Open Access Journals (Sweden)

B. Guse

2017-11-01

Full Text Available In hydrological models, parameters are used to represent the time-invariant characteristics of catchments and to capture different aspects of hydrological response. Hence, model parameters need to be identified based on their role in controlling the hydrological behaviour. For the identification of meaningful parameter values, multiple and complementary performance criteria are used that compare modelled and measured discharge time series. The reliability of the identification of hydrologically meaningful model parameter values depends on how distinctly a model parameter can be assigned to one of the performance criteria. To investigate this, we introduce the new concept of connective strength between model parameters and performance criteria. The connective strength assesses the intensity in the interrelationship between model parameters and performance criteria in a bijective way. In our analysis of connective strength, model simulations are carried out based on a latin hypercube sampling. Ten performance criteria including Nash–Sutcliffe efficiency (NSE, Kling–Gupta efficiency (KGE and its three components (alpha, beta and r as well as RSR (the ratio of the root mean square error to the standard deviation for different segments of the flow duration curve (FDC are calculated. With a joint analysis of two regression tree (RT approaches, we derive how a model parameter is connected to different performance criteria. At first, RTs are constructed using each performance criterion as the target variable to detect the most relevant model parameters for each performance criterion. Secondly, RTs are constructed using each parameter as the target variable to detect which performance criteria are impacted by changes in the values of one distinct model parameter. Based on this, appropriate performance criteria are identified for each model parameter. In this study, a high bijective connective strength between model parameters and performance criteria

Relationship between thermodynamic parameter and thermodynamic scaling parameter for orientational relaxation time for flip-flop motion of nematic liquid crystals.

Science.gov (United States)

Satoh, Katsuhiko

2013-03-07

Thermodynamic parameter Γ and thermodynamic scaling parameter γ for low-frequency relaxation time, which characterize flip-flop motion in a nematic phase, were verified by molecular dynamics simulation with a simple potential based on the Maier-Saupe theory. The parameter Γ, which is the slope of the logarithm for temperature and volume, was evaluated under various conditions at a wide range of temperatures, pressures, and volumes. To simulate thermodynamic scaling so that experimental data at isobaric, isothermal, and isochoric conditions can be rescaled onto a master curve with the parameters for some liquid crystal (LC) compounds, the relaxation time was evaluated from the first-rank orientational correlation function in the simulations, and thermodynamic scaling was verified with the simple potential representing small clusters. A possibility of an equivalence relationship between Γ and γ determined from the relaxation time in the simulation was assessed with available data from the experiments and simulations. In addition, an argument was proposed for the discrepancy between Γ and γ for some LCs in experiments: the discrepancy arises from disagreement of the value of the order parameter P2 rather than the constancy of relaxation time τ1(*) on pressure.

Physicochemical parameters of Amazon Melipona honey

Directory of Open Access Journals (Sweden)

Ligia Bicudo de Almeida-Muradian

2007-06-01

Full Text Available Stingless bees produce a honey that is different from the Apis honey in terms of composition. There aren't enough data to establish quality control parameters for this product, mainly due to lack of research results. The aim of this work is to evaluate some physicochemical parameters that can be used for the characterization and for the quality control of the Meliponinae honey. Four different samples were collected in the Amazon region of Brazil in 2004 (Melipona compressipes manaoense bee and Melipona seminigra merribae bee. Honey analyses were performed as described by the official methods. The mean results were: moisture (30.13%, pH (3.65, acidity (24.57 mEq/kg, water activity (0.75, fructose (31.91%, glucose (29.30% and sucrose (0.19%. These results reinforce the need for a specific regulation for stingless bee honey. This will only be feasible when enough data is available to establish upper and lower limits for the physicochemical parameters used for quality control.

Determining Spacecraft Reaction Wheel Friction Parameters

Science.gov (United States)

Sarani, Siamak

2009-01-01

Software was developed to characterize the drag in each of the Cassini spacecraft's Reaction Wheel Assemblies (RWAs) to determine the RWA friction parameters. This tool measures the drag torque of RWAs for not only the high spin rates (greater than 250 RPM), but also the low spin rates (less than 250 RPM) where there is a lack of an elastohydrodynamic boundary layer in the bearings. RWA rate and drag torque profiles as functions of time are collected via telemetry once every 4 seconds and once every 8 seconds, respectively. Intermediate processing steps single-out the coast-down regions. A nonlinear model for the drag torque as a function of RWA spin rate is incorporated in order to characterize the low spin rate regime. The tool then uses a nonlinear parameter optimization algorithm based on the Nelder-Mead simplex method to determine the viscous coefficient, the Dahl friction, and the two parameters that account for the low spin-rate behavior.

Fault detection using parameter transfer functions

Energy Technology Data Exchange (ETDEWEB)

Salamun, I; Mavko, B; Stritar, A [University of Ljubljana, Josef Stefan Inst., Ljubljana (Slovenia). Reactor Engineering Div.

1997-12-31

To reduce the number of alarms in NPP many techniques have been proposed for process monitoring and diagnosis. The object of our investigation is a dynamic process with digital signals. The general parametric model defines the transfer function form and it covers all dynamics characteristics between two monitoring parameters. To determine the proper model coefficients we are using recoursing least square methods. The transfer function coefficients define the correlation between two variables in desired time period. During process monitoring just the relation is observed because the number of coefficients and the structure is predefined with transfer function form. During plant operation the transfer functions for important parameters must be calculated and estimated. The estimated values are input parameters for an analytical algorithm. It determines which part of system causes the transient and recognizes it. The proposed methodology allows a computer to monitor the system behaviour and to find out the most probable cause for abnormal condition. (author). 3 refs, 5 figs, 2 tabs.

Fault detection using parameter transfer functions

International Nuclear Information System (INIS)

Salamun, I.; Mavko, B.; Stritar, A.

1996-01-01

To reduce the number of alarms in NPP many techniques have been proposed for process monitoring and diagnosis. The object of our investigation is a dynamic process with digital signals. The general parametric model defines the transfer function form and it covers all dynamics characteristics between two monitoring parameters. To determine the proper model coefficients we are using recoursing least square methods. The transfer function coefficients define the correlation between two variables in desired time period. During process monitoring just the relation is observed because the number of coefficients and the structure is predefined with transfer function form. During plant operation the transfer functions for important parameters must be calculated and estimated. The estimated values are input parameters for an analytical algorithm. It determines which part of system causes the transient and recognizes it. The proposed methodology allows a computer to monitor the system behaviour and to find out the most probable cause for abnormal condition. (author). 3 refs, 5 figs, 2 tabs

Setting parameters in the cold chain

Directory of Open Access Journals (Sweden)

Victoria Rodríguez

2011-12-01

Full Text Available Breaks in the cold chain are important economic losses in food and pharmaceutical companies. Many of the failures in the cold chain are due to improper adjustment of equipment parameters such as setting the parameters for theoretical conditions, without a corresponding check in normal operation. The companies that transport refrigeratedproducts must be able to adjust the parameters of the equipment in an easy and quick to adapt their functioning to changing environmental conditions. This article presents the results of a study carried out with a food distribution company. The main objective of the study is to verify the effectiveness of Six Sigma as a methodological toolto adjust the equipment in the cold chain. The second objective is more speciÞ c and is to study the impact of: reducing the volume of storage in the truck, the initial temperature of the storage areain the truck and the frequency of defrost in the transport of refrigerated products.

Planck 2013 results. XVI. Cosmological parameters

CERN Document Server

Ade, P.A.R.; Armitage-Caplan, C.; Arnaud, M.; Ashdown, M.; Atrio-Barandela, F.; Aumont, J.; Baccigalupi, C.; Banday, A.J.; Barreiro, R.B.; Bartlett, J.G.; Battaner, E.; Benabed, K.; Benoit, A.; Benoit-Levy, A.; Bernard, J.P.; Bersanelli, M.; Bielewicz, P.; Bobin, J.; Bock, J.J.; Bonaldi, A.; Bond, J.R.; Borrill, J.; Bouchet, F.R.; Bridges, M.; Bucher, M.; Burigana, C.; Butler, R.C.; Calabrese, E.; Cappellini, B.; Cardoso, J.F.; Catalano, A.; Challinor, A.; Chamballu, A.; Chary, R.R.; Chen, X.; Chiang, L.Y.; Chiang, H.C.; Christensen, P.R.; Church, S.; Clements, D.L.; Colombi, S.; Colombo, L.P.L.; Couchot, F.; Coulais, A.; Crill, B.P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R.D.; Davis, R.J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Delouis, J.M.; Desert, F.X.; Dickinson, C.; Diego, J.M.; Dolag, K.; Dole, H.; Donzelli, S.; Dore, O.; Douspis, M.; Dunkley, J.; Dupac, X.; Efstathiou, G.; Elsner, F.; Ensslin, T.A.; Eriksen, H.K.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A.A.; Franceschi, E.; Gaier, T.C.; Galeotta, S.; Galli, S.; Ganga, K.; Giard, M.; Giardino, G.; Giraud-Heraud, Y.; Gjerlow, E.; Gonzalez-Nuevo, J.; Gorski, K.M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Gudmundsson, J.E.; Haissinski, J.; Hamann, J.; Hansen, F.K.; Hanson, D.; Harrison, D.; Henrot-Versille, S.; Hernandez-Monteagudo, C.; Herranz, D.; Hildebrandt, S.R.; Hivon, E.; Hobson, M.; Holmes, W.A.; Hornstrup, A.; Hou, Z.; Hovest, W.; Huffenberger, K.M.; Jaffe, T.R.; Jaffe, A.H.; Jewell, J.; Jones, W.C.; Juvela, M.; Keihanen, E.; Keskitalo, R.; Kisner, T.S.; Kneissl, R.; Knoche, J.; Knox, L.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lahteenmaki, A.; Lamarre, J.M.; Lasenby, A.; Lattanzi, M.; Laureijs, R.J.; Lawrence, C.R.; Leach, S.; Leahy, J.P.; Leonardi, R.; Leon-Tavares, J.; Lesgourgues, J.; Lewis, A.; Liguori, M.; Lilje, P.B.; Linden-Vornle, M.; Lopez-Caniego, M.; Lubin, P.M.; Macias-Perez, J.F.; Maffei, B.; Maino, D.; Mandolesi, N.; Maris, M.; Marshall, D.J.; Martin, P.G.; Martinez-Gonzalez, E.; Masi, S.; Matarrese, S.; Matthai, F.; Mazzotta, P.; Meinhold, P.R.; Melchiorri, A.; Melin, J.B.; Mendes, L.; Menegoni, E.; Mennella, A.; Migliaccio, M.; Millea, M.; Mitra, S.; Miville-Deschenes, M.A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Moss, A.; Munshi, D.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C.B.; Norgaard-Nielsen, H.U.; Noviello, F.; Novikov, D.; Novikov, I.; O'Dwyer, I.J.; Osborne, S.; Oxborrow, C.A.; Paci, F.; Pagano, L.; Pajot, F.; Paoletti, D.; Partridge, B.; Pasian, F.; Patanchon, G.; Pearson, D.; Pearson, T.J.; Peiris, H.V.; Perdereau, O.; Perotto, L.; Perrotta, F.; Pettorino, V.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Platania, P.; Pointecouteau, E.; Polenta, G.; Ponthieu, N.; Popa, L.; Poutanen, T.; Pratt, G.W.; Prezeau, G.; Prunet, S.; Puget, J.L.; Rachen, J.P.; Reach, W.T.; Rebolo, R.; Reinecke, M.; Remazeilles, M.; Renault, C.; Ricciardi, S.; Riller, T.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Roudier, G.; Rowan-Robinson, M.; Rubino-Martin, J.A.; Rusholme, B.; Sandri, M.; Santos, D.; Savelainen, M.; Savini, G.; Scott, D.; Seiffert, M.D.; Shellard, E.P.S.; Spencer, L.D.; Starck, J.L.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sunyaev, R.; Sureau, F.; Sutton, D.; Suur-Uski, A.S.; Sygnet, J.F.; Tauber, J.A.; Tavagnacco, D.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Tuovinen, J.; Turler, M.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Vittorio, N.; Wade, L.A.; Wandelt, B.D.; Wehus, I.K.; White, M.; White, S.D.M.; Wilkinson, A.; Yvon, D.; Zacchei, A.; Zonca, A.

2014-10-29

We present the first results based on Planck measurements of the CMB temperature and lensing-potential power spectra. The Planck spectra at high multipoles are extremely well described by the standard spatially-flat six-parameter LCDM cosmology. In this model Planck data determine the cosmological parameters to high precision. We find a low value of the Hubble constant, H0=67.3+/-1.2 km/s/Mpc and a high value of the matter density parameter, Omega_m=0.315+/-0.017 (+/-1 sigma errors) in excellent agreement with constraints from baryon acoustic oscillation (BAO) surveys. Including curvature, we find that the Universe is consistent with spatial flatness to percent-level precision using Planck CMB data alone. We present results from an analysis of extensions to the standard cosmology, using astrophysical data sets in addition to Planck and high-resolution CMB data. None of these models are favoured significantly over standard LCDM. The deviation of the scalar spectral index from unity is insensitive to the additi...

Assumptions of the primordial spectrum and cosmological parameter estimation

International Nuclear Information System (INIS)

Shafieloo, Arman; Souradeep, Tarun

2011-01-01

The observables of the perturbed universe, cosmic microwave background (CMB) anisotropy and large structures depend on a set of cosmological parameters, as well as the assumed nature of primordial perturbations. In particular, the shape of the primordial power spectrum (PPS) is, at best, a well-motivated assumption. It is known that the assumed functional form of the PPS in cosmological parameter estimation can affect the best-fit-parameters and their relative confidence limits. In this paper, we demonstrate that a specific assumed form actually drives the best-fit parameters into distinct basins of likelihood in the space of cosmological parameters where the likelihood resists improvement via modifications to the PPS. The regions where considerably better likelihoods are obtained allowing free-form PPS lie outside these basins. In the absence of a preferred model of inflation, this raises a concern that current cosmological parameter estimates are strongly prejudiced by the assumed form of PPS. Our results strongly motivate approaches toward simultaneous estimation of the cosmological parameters and the shape of the primordial spectrum from upcoming cosmological data. It is equally important for theorists to keep an open mind towards early universe scenarios that produce features in the PPS. (paper)

Structural parameter identifiability analysis for dynamic reaction networks

DEFF Research Database (Denmark)

Davidescu, Florin Paul; Jørgensen, Sten Bay

2008-01-01

method based on Lie derivatives. The proposed systematic two phase methodology is illustrated on a mass action based model for an enzymatically catalyzed reaction pathway network where only a limited set of variables is measured. The methodology clearly pinpoints the structurally identifiable parameters...... where for a given set of measured variables it is desirable to investigate which parameters may be estimated prior to spending computational effort on the actual estimation. This contribution addresses the structural parameter identifiability problem for the typical case of reaction network models....... The proposed analysis is performed in two phases. The first phase determines the structurally identifiable reaction rates based on reaction network stoichiometry. The second phase assesses the structural parameter identifiability of the specific kinetic rate expressions using a generating series expansion...

Ground level enhancement (GLE) energy spectrum parameters model

Science.gov (United States)

Qin, G.; Wu, S.

2017-12-01

We study the ground level enhancement (GLE) events in solar cycle 23 with the four energy spectra parameters, the normalization parameter C, low-energy power-law slope γ 1, high-energy power-law slope γ 2, and break energy E0, obtained by Mewaldt et al. 2012 who fit the observations to the double power-law equation. we divide the GLEs into two groups, one with strong acceleration by interplanetary (IP) shocks and another one without strong acceleration according to the condition of solar eruptions. We next fit the four parameters with solar event conditions to get models of the parameters for the two groups of GLEs separately. So that we would establish a model of energy spectrum for GLEs for the future space weather prediction.

Estimates for the parameters of the heavy quark expansion

Energy Technology Data Exchange (ETDEWEB)

Heinonen, Johannes; Mannel, Thomas [Universitaet Siegen (Germany)

2015-07-01

We give improved estimates for the non-perturbative parameters appearing in the heavy quark expansion for inclusive decays. While the parameters appearing in low orders of this expansion can be extracted from data, the number of parameters in higher orders proliferates strongly, making a determination of these parameters from data impossible. Thus, one has to rely on theoretical estimates which may be obtained from an insertion of intermediate states. We refine this method and attempt to estimate the uncertainties of this approach.

Psychometric Consequences of Subpopulation Item Parameter Drift

Science.gov (United States)

Huggins-Manley, Anne Corinne

2017-01-01

This study defines subpopulation item parameter drift (SIPD) as a change in item parameters over time that is dependent on subpopulations of examinees, and hypothesizes that the presence of SIPD in anchor items is associated with bias and/or lack of invariance in three psychometric outcomes. Results show that SIPD in anchor items is associated…

The electronic system for mechanical oscillation parameters registration

Directory of Open Access Journals (Sweden)

Bulavin L. A.

2008-08-01

Full Text Available On the basis of the 8-bit microcontroller Microchip PIC16F630 the digital electronic device for harmonic oscillation parameters registration was developed. The device features are simple electric circuit and high operating speed (response time is less than 10 microseconds. The relevant software for the computer-controlled recording of harmonic oscillation parameters was designed. The device can be used as a part of the experimental setup for consistent fluids rheological parameters measurements.

An enhancement to the NA4 gear vibration diagnostic parameter

Science.gov (United States)

Decker, Harry J.; Handschuh, Robert F.; Zakrajsek, James J.

1994-01-01

A new vibration diagnostic parameter for health monitoring of gears, NA4*, is proposed and tested. A recently developed gear vibration diagnostic parameter NA4 outperformed other fault detection methods at indicating the start and initial progression of damage. However, in some cases, as the damage progressed, the sensitivity of the NA4 and FM4 parameters tended to decrease and no longer indicated damage. A new parameter, NA4* was developed by enhancing NA4 to improve the trending of the parameter. This allows for the indication of damage both at initiation and also as the damage progresses. The NA4* parameter was verified and compared to the NA4 and FM4 parameters using experimental data from single mesh spur and spiral bevel gear fatigue rigs. The primary failure mode for the test cases was naturally occurring tooth surface pitting. The NA4* parameter is shown to be a more robust indicator of damage.

Quantization of physical parameters

International Nuclear Information System (INIS)

Jackiw, R.; Massachusetts Inst. of Tech., Cambridge; Massachusetts Inst. of Tech., Cambridge

1984-01-01

Dynamical models are described with parameters (mass, coupling strengths) which must be quantized for quantum mechanical consistency. These and related topological ideas have physical application to phenomenological descriptions of high temperature and low energy quantum chromodynamics, to the nonrelativistic dynamics of magnetic monopoles, and to the quantum Hall effect. (author)

General image acquisition parameters

International Nuclear Information System (INIS)

Teissier, J.M.; Lopez, F.M.; Langevin, J.F.

1993-01-01

The general parameters are of primordial importance to achieve image quality in terms of spatial resolution and contrast. They also play a role in the acquisition time for each sequence. We describe them separately, before associating them in a decision tree gathering the various options that are possible for diagnosis

Dynamic Parameter Identification of Hydrodynamic Bearing-Rotor System

Directory of Open Access Journals (Sweden)

Zhiqiang Song

2015-01-01

Full Text Available A new method called modal parameter genetic time domain identification was employed to study the characteristics of the bearing-rotor system. A multifrequency signal decomposition technology to identify the main components of the measured signal and reject the image mode produced by noise has been used. The first- and second-order natural frequency and damping ratios of the shaft system are identified. Furthermore, because of the deficiency of the traditional least square method, a new genetic identification method to identify the bearing dynamic characteristic parameters has been proposed. The method has been effective albeit with few testing points and operation cases. The derivation of oil-film dynamic coefficients could also provide a basis for shaft system natural vibration characteristic and vibration response analysis. Using the identified dynamic coefficients as the supporting condition, the shaft system modal characteristics were studied. The calculated first- and second-order natural frequencies match quite well those obtained from the modal parameter identification. It was proved that the modal parameter and physical parameter identification methods utilized in this paper are reasonable.

Correcting binding parameters for interacting ligand-lattice systems

Science.gov (United States)

Hervy, Jordan; Bicout, Dominique J.

2017-07-01

Binding of ligands to macromolecules is central to many functional and regulatory biological processes. Key parameters characterizing ligand-macromolecule interactions are the stoichiometry, inducing the number of ligands per macromolecule binding site, and the dissociation constant, quantifying the ligand-binding site affinity. Both these parameters can be obtained from analyses of classical saturation experiments using the standard binding equation that offers the great advantage of mathematical simplicity but becomes an approximation for situations of interest when a ligand binds and covers more than one single binding site on the macromolecule. Using the framework of car-parking problem with latticelike macromolecules where each ligand can cover simultaneously several consecutive binding sites, we showed that employing the standard analysis leads to underestimation of binding parameters, i.e., ligands appear larger than they actually are and their affinity is also greater than it is. Therefore, we have derived expressions allowing to determine the ligand size and true binding parameters (stoichiometry and dissociation constant) as a function of apparent binding parameters retrieved from standard saturation experiments.

Adaptive firefly algorithm: parameter analysis and its application.

Directory of Open Access Journals (Sweden)

Ngaam J Cheung

Full Text Available As a nature-inspired search algorithm, firefly algorithm (FA has several control parameters, which may have great effects on its performance. In this study, we investigate the parameter selection and adaptation strategies in a modified firefly algorithm - adaptive firefly algorithm (AdaFa. There are three strategies in AdaFa including (1 a distance-based light absorption coefficient; (2 a gray coefficient enhancing fireflies to share difference information from attractive ones efficiently; and (3 five different dynamic strategies for the randomization parameter. Promising selections of parameters in the strategies are analyzed to guarantee the efficient performance of AdaFa. AdaFa is validated over widely used benchmark functions, and the numerical experiments and statistical tests yield useful conclusions on the strategies and the parameter selections affecting the performance of AdaFa. When applied to the real-world problem - protein tertiary structure prediction, the results demonstrated improved variants can rebuild the tertiary structure with the average root mean square deviation less than 0.4Å and 1.5Å from the native constrains with noise free and 10% Gaussian white noise.

Estimation of parameter sensitivities for stochastic reaction networks

KAUST Repository

Gupta, Ankit

2016-01-07

Quantification of the effects of parameter uncertainty is an important and challenging problem in Systems Biology. We consider this problem in the context of stochastic models of biochemical reaction networks where the dynamics is described as a continuous-time Markov chain whose states represent the molecular counts of various species. For such models, effects of parameter uncertainty are often quantified by estimating the infinitesimal sensitivities of some observables with respect to model parameters. The aim of this talk is to present a holistic approach towards this problem of estimating parameter sensitivities for stochastic reaction networks. Our approach is based on a generic formula which allows us to construct efficient estimators for parameter sensitivity using simulations of the underlying model. We will discuss how novel simulation techniques, such as tau-leaping approximations, multi-level methods etc. can be easily integrated with our approach and how one can deal with stiff reaction networks where reactions span multiple time-scales. We will demonstrate the efficiency and applicability of our approach using many examples from the biological literature.

Pollen parameters estimates of genetic variability among newly ...

African Journals Online (AJOL)

Pollen parameters estimates of genetic variability among newly selected Nigerian roselle (Hibiscus sabdariffa L.) genotypes. ... Estimates of some pollen parameters where used to assess the genetic diversity among ... HOW TO USE AJOL.

Interval Routing and Minor-Monotone Graph Parameters

NARCIS (Netherlands)

Bakker, E.M.; Bodlaender, H.L.; Tan, R.B.; Leeuwen, J. van

2006-01-01

We survey a number of minor-monotone graph parameters and their relationship to the complexity of routing on graphs. In particular we compare the interval routing parameters κslir(G) and κsir(G) with Colin de Verdi`ere’s graph invariant μ(G) and its variants λ(G) and κ(G). We show that for all the

Correction of fatigue parameters of concrete using approximation of mechanical-Fracture parameters in time

Czech Academy of Sciences Publication Activity Database

Šimonová, H.; Keršner, Z.; Seitl, Stanislav; Pryl, D.; Pukl, R.

-, č. 1 (2012), s. 57-59 ISSN 1213-3116 R&D Projects: GA ČR(CZ) GAP104/11/0833 Institutional support: RVO:68081723 Keywords : fatigue * concrete * correction * fracture parameters Subject RIV: JL - Materials Fatigue, Friction Mechanics

Optimal parameters for the FFA-Beddoes dynamic stall model

Energy Technology Data Exchange (ETDEWEB)

Bjoerck, A; Mert, M [FFA, The Aeronautical Research Institute of Sweden, Bromma (Sweden); Madsen, H A [Risoe National Lab., Roskilde (Denmark)

1999-03-01

Unsteady aerodynamic effects, like dynamic stall, must be considered in calculation of dynamic forces for wind turbines. Models incorporated in aero-elastic programs are of semi-empirical nature. Resulting aerodynamic forces therefore depend on values used for the semi-empiricial parameters. In this paper a study of finding appropriate parameters to use with the Beddoes-Leishman model is discussed. Minimisation of the `tracking error` between results from 2D wind tunnel tests and simulation with the model is used to find optimum values for the parameters. The resulting optimum parameters show a large variation from case to case. Using these different sets of optimum parameters in the calculation of blade vibrations, give rise to quite different predictions of aerodynamic damping which is discussed. (au)

Brownian motion model with stochastic parameters for asset prices

Science.gov (United States)

Ching, Soo Huei; Hin, Pooi Ah

2013-09-01

The Brownian motion model may not be a completely realistic model for asset prices because in real asset prices the drift μ and volatility σ may change over time. Presently we consider a model in which the parameter x = (μ,σ) is such that its value x (t + Δt) at a short time Δt ahead of the present time t depends on the value of the asset price at time t + Δt as well as the present parameter value x(t) and m-1 other parameter values before time t via a conditional distribution. The Malaysian stock prices are used to compare the performance of the Brownian motion model with fixed parameter with that of the model with stochastic parameter.

Lattice parameters guide superconductivity in iron-arsenides

Science.gov (United States)

Konzen, Lance M. N.; Sefat, Athena S.

2017-03-01

The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications, the uses of superconductors are not widespread because they function much below room-temperature, hence the costly cooling. Since the discovery of Cu- and Fe-based high-temperature superconductors (HTS), much intense effort has tried to explain and understand the superconducting phenomenon. While no exact explanations are given, several trends are reported in relation to the materials basis in magnetism and spin excitations. In fact, most HTS have antiferromagnetic undoped ‘parent’ materials that undergo a superconducting transition upon small chemical substitutions in them. As it is currently unclear which ‘dopants’ can favor superconductivity, this manuscript investigates crystal structure changes upon chemical substitutions, to find clues in lattice parameters for the superconducting occurrence. We review the chemical substitution effects on the crystal lattice of iron-arsenide-based crystals (2008 to present). We note that (a) HTS compounds have nearly tetragonal structures with a-lattice parameter close to 4 Å, and (b) superconductivity can depend strongly on the c-lattice parameter changes with chemical substitution. For example, a decrease in c-lattice parameter is required to induce ‘in-plane’ superconductivity. The review of lattice parameter trends in iron-arsenides presented here should guide synthesis of new materials and provoke theoretical input, giving clues for HTS.

Cogeneration: Key feasibility analysis parameters

International Nuclear Information System (INIS)

Coslovi, S.; Zulian, A.

1992-01-01

This paper first reviews the essential requirements, in terms of scope, objectives and methods, of technical/economic feasibility analyses applied to cogeneration systems proposed for industrial plants in Italy. Attention is given to the influence on overall feasibility of the following factors: electric power and fuel costs, equipment coefficients of performance, operating schedules, maintenance costs, Italian Government taxes and financial and legal incentives. Through an examination of several feasibility studies that were done on cogeneration proposals relative to different industrial sectors, a sensitivity analysis is performed on the effects of varying the weights of different cost benefit analysis parameters. With the use of statistical analyses, standard deviations are then determined for key analysis parameters, and guidelines are suggested for analysis simplifications

SOLAR ERUPTION AND LOCAL MAGNETIC PARAMETERS

Energy Technology Data Exchange (ETDEWEB)

Lee, Jeongwoo; Chae, Jongchul [Department of Physics and Astronomy, Seoul National University, Seoul 08826 (Korea, Republic of); Liu, Chang; Jing, Ju [Space Weather Research Laboratory, New Jersey Institute of Technology, Newark, NJ 07102 (United States)

2016-11-10

It is now a common practice to use local magnetic parameters such as magnetic decay index for explaining solar eruptions from active regions, but there can be an alternative view that the global properties of the source region should be counted as a more important factor. We discuss this issue based on Solar Dynamics Observatory observations of the three successive eruptions within 1.5 hr from the NOAA active region 11444 and the magnetic parameters calculated using the nonlinear force-free field model. Two violent eruptions occurred in the regions with relatively high magnetic twist number (0.5–1.5) and high decay index (0.9–1.1) at the nominal height of the filament (12″) and otherwise a mild eruption occurred, which supports the local-parameter paradigm. Our main point is that the time sequence of the eruptions did not go with these parameters. It is argued that an additional factor, in the form of stabilizing force, should operate to determine the onset of the first eruption and temporal behaviors of subsequent eruptions. As supporting evidence, we report that the heating and fast plasma flow continuing for a timescale of an hour was the direct cause for the first eruption and that the unidirectional propagation of the disturbance determined the timing of subsequent eruptions. Both of these factors are associated with the overall magnetic structure rather than local magnetic properties of the active region.

IRI profile parameters at equatorial latitudes

International Nuclear Information System (INIS)

Reinisch, B.W.; Huang Xueqin; Conway, J.

2002-01-01

The IRI bottom-side electron density profile is specified as a function of three parameters B0, B1, and D1 describing the F2 layer thickness and shape, and the shape of the F1 layer, respectively. Together with the URSI or CCIR coefficients for the F2 layer peak density and height, they completely specify the profiles as function of time, season and solar activity. In support of the international effort of determining the best set of parameters we have analyzed the diurnal variations of B0, B1, and D1 for Jicamarca for high solar activity during 1999 and 2000 for different seasons and magnetic activity. The B0 values vary from a minimum of ∼95 km at 0300 LT to ∼250 km at local noon (1700 UT). The diurnal variation is similar to the IRI2000 prediction. B1 varies from ∼1.9 at daytime to ∼2.2 at night. The value of D1 is ∼0.5. The parameters show little Kp dependence. Standard deviations are shown. We calculated the ionospheric total electron contents for March and April 1998 from the ionogram profiles at Jicamarca and compared them with IRI predictions using the IRI 2000 parameters. While there is fair agreement, a significant time shift of 1 to 2 hours occurs in the transition from night to daytime values. (author)

A global data set of land-surface parameters

International Nuclear Information System (INIS)

Claussen, M.; Lohmann, U.; Roeckner, E.; Schulzweida, U.

1994-01-01

A global data set of land surface parameters is provided for the climate model ECHAM developed at the Max-Planck-Institut fuer Meteorologie in Hamburg. These parameters are: background (surface) albedo α, surface roughness length z 0y , leaf area index LAI, fractional vegetation cover or vegetation ratio c y , and forest ratio c F . The global set of surface parameters is constructed by allocating parameters to major exosystem complexes of Olson et al. (1983). The global distribution of ecosystem complexes is given at a resolution of 0.5 0 x 0.5 0 . The latter data are compatible with the vegetation types used in the BIOME model of Prentice et al. (1992) which is a potential candidate of an interactive submodel within a comprehensive model of the climate system. (orig.)

Charge transport parameters of HBC at different temperatures

Energy Technology Data Exchange (ETDEWEB)

Kirkpatrick, J. [Max Planck Institut fuer Polymerforschung, Ackermannweg 10, 55128 Mainz (Germany); Department of Physics, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom); Marcon, V.; Kremer, K.; Andrienko, D. [Max Planck Institut fuer Polymerforschung, Ackermannweg 10, 55128 Mainz (Germany); Nelson, J. [Department of Physics, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom)

2008-05-15

We study the dependence on temperature of the charge transport parameters for hexabenzocoronene (HBC). Following from Marcus theory, two charge transport parameters will be calculated: the transfer integral and the difference in site energies. These parameters are strongly dependent on the orientation and position of molecules. Position and orientation of molecules are determined using molecular dynamics. Transfer integrals are calculated from a simplified INDO method. A technique to compute energetic disorder, that is the spread in site energies for the charge carriers, is developed. In the herringbone phase transfer integrals are higher, but so is energetic disorder. We consider three derivatives of HBC with different side chains, which lead to different phase behaviour and distributions of charge transport parameters. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Robust Parameter and Signal Estimation in Induction Motors

DEFF Research Database (Denmark)

Børsting, H.

This thesis deals with theories and methods for robust parameter and signal estimation in induction motors. The project originates in industrial interests concerning sensor-less control of electrical drives. During the work, some general problems concerning estimation of signals and parameters...... in nonlinear systems, have been exposed. The main objectives of this project are: - analysis and application of theories and methods for robust estimation of parameters in a model structure, obtained from knowledge of the physics of the induction motor. - analysis and application of theories and methods...... for robust estimation of the rotor speed and driving torque of the induction motor based only on measurements of stator voltages and currents. Only contimuous-time models have been used, which means that physical related signals and parameters are estimated directly and not indirectly by some discrete...

Integral Parameters of the Thermal Neutron Scattering Law

International Nuclear Information System (INIS)

Purohit, S.N.

1964-09-01

Integral parameters of the thermal neutron scattering law - the thermalization binding parameter (M 2 ), the Placzek's moments of the generalized frequency spectrum of dynamical modes and the energy transfer moments of the scattering law - are theoretically discussed. A detailed study of the variation of M 2 , the thermalization time constant and the effective temperature of the vibrating atoms, with the relative weight between intra-molecular vibrations and hindered rotations for H 2 O, is presented. Theoretical results for different scattering models of H 2 O are compared with the measurements of integral experiments. A set of integral parameters for D 2 O, using Butler's model, have been obtained. Importance of the structure of hindered rotations of H 2 O and D 2 O in the study of integral parameters has also been discussed

Calculation of the level density parameter using semi-classical approach

International Nuclear Information System (INIS)

Canbula, B.; Babacan, H.

2011-01-01

The level density parameters (level density parameter a and energy shift δ) for back-shifted Fermi gas model have been determined for 1136 nuclei for which complete level scheme is available. Level density parameter is calculated by using the semi-classical single particle level density, which can be obtained analytically through spherical harmonic oscillator potential. This method also enables us to analyze the Coulomb potential's effect on the level density parameter. The dependence of this parameter on energy has been also investigated. Another parameter, δ, is determined by fitting of the experimental level scheme and the average resonance spacings for 289 nuclei. Only level scheme is used for optimization procedure for remaining 847 nuclei. Level densities for some nuclei have been calculated by using these parameter values. Obtained results have been compared with the experimental level scheme and the resonance spacing data.

Keratoconus diagnosis using Corvis ST measured biomechanical parameters

Directory of Open Access Journals (Sweden)

Roghiyeh Elham

2017-09-01

Conclusions: The A1T seems a valuable parameter in the diagnosis of keratoconic eyes. It showed excellent diagnostic ability even when controlled for CCT. None of the parameters were reliable index for keratoconus staging.

SPOTting Model Parameters Using a Ready-Made Python Package.

Directory of Open Access Journals (Sweden)

Tobias Houska

Full Text Available The choice for specific parameter estimation methods is often more dependent on its availability than its performance. We developed SPOTPY (Statistical Parameter Optimization Tool, an open source python package containing a comprehensive set of methods typically used to calibrate, analyze and optimize parameters for a wide range of ecological models. SPOTPY currently contains eight widely used algorithms, 11 objective functions, and can sample from eight parameter distributions. SPOTPY has a model-independent structure and can be run in parallel from the workstation to large computation clusters using the Message Passing Interface (MPI. We tested SPOTPY in five different case studies to parameterize the Rosenbrock, Griewank and Ackley functions, a one-dimensional physically based soil moisture routine, where we searched for parameters of the van Genuchten-Mualem function and a calibration of a biogeochemistry model with different objective functions. The case studies reveal that the implemented SPOTPY methods can be used for any model with just a minimal amount of code for maximal power of parameter optimization. They further show the benefit of having one package at hand that includes number of well performing parameter search methods, since not every case study can be solved sufficiently with every algorithm or every objective function.

Planck 2013 results. XVI. Cosmological parameters

DEFF Research Database (Denmark)

Planck Collaboration,; Ade, P. A. R.; Aghanim, N.

2013-01-01

parameters to high precision. We find a low value of the Hubble constant, H0=67.3+/-1.2 km/s/Mpc and a high value of the matter density parameter, Omega_m=0.315+/-0.017 (+/-1 sigma errors) in excellent agreement with constraints from baryon acoustic oscillation (BAO) surveys. Including curvature, we find...... over standard LCDM. The deviation of the scalar spectral index from unity is insensitive to the addition of tensor modes and to changes in the matter content of the Universe. We find a 95% upper limit of r...

Tables of nuclear level density parameters

International Nuclear Information System (INIS)

Chatterjee, A.; Ghosh, S.K.; Majumdar, H.

1976-03-01

The Renormalized Gas Model (RGM) has been used to calculate single particle level density parameters for more than 2000 nucleides over the range 9<=Z<=126 (15<=A<=338). Three separate tables present the elements on or near the valley of beta stability, neutron-rich fission fragment nucleides, and transitional nuclei, actinides and light-mass super heavy elements. Each table identifies the nucleus in terms of Z and N and presents the RGM deformation energy of binding, the total RGM structural energy correction over the free gas Fermi surface, and the level density parameter

Parameter Selection for Ant Colony Algorithm Based on Bacterial Foraging Algorithm

Directory of Open Access Journals (Sweden)

Peng Li

2016-01-01

Full Text Available The optimal performance of the ant colony algorithm (ACA mainly depends on suitable parameters; therefore, parameter selection for ACA is important. We propose a parameter selection method for ACA based on the bacterial foraging algorithm (BFA, considering the effects of coupling between different parameters. Firstly, parameters for ACA are mapped into a multidimensional space, using a chemotactic operator to ensure that each parameter group approaches the optimal value, speeding up the convergence for each parameter set. Secondly, the operation speed for optimizing the entire parameter set is accelerated using a reproduction operator. Finally, the elimination-dispersal operator is used to strengthen the global optimization of the parameters, which avoids falling into a local optimal solution. In order to validate the effectiveness of this method, the results were compared with those using a genetic algorithm (GA and a particle swarm optimization (PSO, and simulations were conducted using different grid maps for robot path planning. The results indicated that parameter selection for ACA based on BFA was the superior method, able to determine the best parameter combination rapidly, accurately, and effectively.

Neutrino oscillation parameter sampling with MonteCUBES

Science.gov (United States)

Blennow, Mattias; Fernandez-Martinez, Enrique

2010-01-01

We present MonteCUBES ("Monte Carlo Utility Based Experiment Simulator"), a software package designed to sample the neutrino oscillation parameter space through Markov Chain Monte Carlo algorithms. MonteCUBES makes use of the GLoBES software so that the existing experiment definitions for GLoBES, describing long baseline and reactor experiments, can be used with MonteCUBES. MonteCUBES consists of two main parts: The first is a C library, written as a plug-in for GLoBES, implementing the Markov Chain Monte Carlo algorithm to sample the parameter space. The second part is a user-friendly graphical Matlab interface to easily read, analyze, plot and export the results of the parameter space sampling. Program summaryProgram title: MonteCUBES (Monte Carlo Utility Based Experiment Simulator) Catalogue identifier: AEFJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFJ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public Licence No. of lines in distributed program, including test data, etc.: 69 634 No. of bytes in distributed program, including test data, etc.: 3 980 776 Distribution format: tar.gz Programming language: C Computer: MonteCUBES builds and installs on 32 bit and 64 bit Linux systems where GLoBES is installed Operating system: 32 bit and 64 bit Linux RAM: Typically a few MBs Classification: 11.1 External routines: GLoBES [1,2] and routines/libraries used by GLoBES Subprograms used:Cat Id ADZI_v1_0, Title GLoBES, Reference CPC 177 (2007) 439 Nature of problem: Since neutrino masses do not appear in the standard model of particle physics, many models of neutrino masses also induce other types of new physics, which could affect the outcome of neutrino oscillation experiments. In general, these new physics imply high-dimensional parameter spaces that are difficult to explore using classical methods such as multi-dimensional projections and minimizations, such as those

Towards automatic parameter tuning of stream processing systems

KAUST Repository

Bilal, Muhammad; Canini, Marco

2017-01-01

for automating parameter tuning for stream-processing systems. Our framework supports standard black-box optimization algorithms as well as a novel gray-box optimization algorithm. We demonstrate the multiple benefits of automated parameter tuning in optimizing

Electrostatic Origin of the Red Solvatochromic Shift of DFHBDI in RNA Spinach.

Science.gov (United States)

Bose, Samik; Chakrabarty, Suman; Ghosh, Debashree

2017-05-11

Interactions with the environment tune the spectral properties of biological chromophores, e.g., fluorescent proteins. Understanding the relative contribution of the various types of noncovalent interactions in the spectral shifts can provide rational design principles toward developing new fluorescent probes. In this work, we investigate the origin of the red shift in the absorption spectra of the difluoro hydroxybenzylidene dimethyl imidazolinone (DFHBDI) chromophore in RNA spinach as compared to the aqueous solution. We systematically decompose the effects of various components of interactions, namely, stacking, hydrogen bonding, and long-range electrostatics, in order to elucidate the relative role of these interactions in the observed spectral behavior. We find that the absorption peak of DFHBDI is red-shifted by ∼0.35 eV in RNA relative to the aqueous solution. Earlier proposals from Huang and co-workers have implicated the stacking interactions between DFHBDI and nucleic acid bases to be the driving force behind the observed red shift. In contrast, our findings reveal that the long-range electrostatic interactions between DFHBDI and negatively charged RNA make the most significant contribution. Moreover, we notice that the opposing electrostatic fields due to the RNA backbone and the polarized water molecules around the RNA give rise to the resultant red shift. Our results emphasize the effect of strong heterogeneity in the various environmental factors that might be competing with each other.

UV-Vis spectroscopy and solvatochromism of the tyrosine kinase inhibitor AG-1478

Science.gov (United States)

Khattab, Muhammad; Wang, Feng; Clayton, Andrew H. A.

2016-07-01

The effect of twenty-one solvents on the UV-Vis spectrum of the tyrosine kinase inhibitor AG-1478 was investigated. The absorption spectrum in the range 300-360 nm consisted of two partially overlapping bands at approximately 340 nm and 330 nm. The higher energy absorption band was more sensitive to solvent and exhibited a peak position that varied from 327 nm to 336 nm, while the lower energy absorption band demonstrated a change in peak position from 340 nm to 346 nm in non-chlorinated solvents. The fluorescence spectrum of AG-1478 was particularly sensitive to solvent. The wavelength of peak intensity varied from 409 nm to 495 nm with the corresponding Stokes shift in the range of 64 nm to 155 nm (4536 cm- 1 to 9210 cm- 1). We used a number of methods to assess the relationship between spectroscopic properties and solvent properties. The detailed analysis revealed that for aprotic solvents, the peak position of the emission spectrum in wavenumber scale correlated with the polarity (dielectric constant or ET(30)) of the solvent. In protic solvents, a better correlation was observed between the hydrogen bonding power of the solvent and the position of the emission spectrum. Moreover, the fluorescence quantum yields were larger in aprotic solvents as compared to protic solvents. This analysis underscores the importance of polarity and hydrogen-bonding environment on the spectroscopic properties of AG-1478. These studies will assume relevance in understanding the interaction of AG-1478 in vitro and in vivo.