A weak-coupling immersed boundary method for fluid-structure interaction with low density ratio of solid to fluid

NASA Astrophysics Data System (ADS)

Kim, Woojin; Lee, Injae; Choi, Haecheon

2018-04-01

We present a weak-coupling approach for fluid-structure interaction with low density ratio (ρ) of solid to fluid. For accurate and stable solutions, we introduce predictors, an explicit two-step method and the implicit Euler method, to obtain provisional velocity and position of fluid-structure interface at each time step, respectively. The incompressible Navier-Stokes equations, together with these provisional velocity and position at the fluid-structure interface, are solved in an Eulerian coordinate using an immersed-boundary finite-volume method on a staggered mesh. The dynamic equation of an elastic solid-body motion, together with the hydrodynamic force at the provisional position of the interface, is solved in a Lagrangian coordinate using a finite element method. Each governing equation for fluid and structure is implicitly solved using second-order time integrators. The overall second-order temporal accuracy is preserved even with the use of lower-order predictors. A linear stability analysis is also conducted for an ideal case to find the optimal explicit two-step method that provides stable solutions down to the lowest density ratio. With the present weak coupling, three different fluid-structure interaction problems were simulated: flows around an elastically mounted rigid circular cylinder, an elastic beam attached to the base of a stationary circular cylinder, and a flexible plate, respectively. The lowest density ratios providing stable solutions are searched for the first two problems and they are much lower than 1 (ρmin = 0.21 and 0.31, respectively). The simulation results agree well with those from strong coupling suggested here and also from previous numerical and experimental studies, indicating the efficiency and accuracy of the present weak coupling.

A stochastic algorithm for global optimization and for best populations: A test case of side chains in proteins

PubMed Central

Glick, Meir; Rayan, Anwar; Goldblum, Amiram

2002-01-01

The problem of global optimization is pivotal in a variety of scientific fields. Here, we present a robust stochastic search method that is able to find the global minimum for a given cost function, as well as, in most cases, any number of best solutions for very large combinatorial “explosive” systems. The algorithm iteratively eliminates variable values that contribute consistently to the highest end of a cost function's spectrum of values for the full system. Values that have not been eliminated are retained for a full, exhaustive search, allowing the creation of an ordered population of best solutions, which includes the global minimum. We demonstrate the ability of the algorithm to explore the conformational space of side chains in eight proteins, with 54 to 263 residues, to reproduce a population of their low energy conformations. The 1,000 lowest energy solutions are identical in the stochastic (with two different seed numbers) and full, exhaustive searches for six of eight proteins. The others retain the lowest 141 and 213 (of 1,000) conformations, depending on the seed number, and the maximal difference between stochastic and exhaustive is only about 0.15 Kcal/mol. The energy gap between the lowest and highest of the 1,000 low-energy conformers in eight proteins is between 0.55 and 3.64 Kcal/mol. This algorithm offers real opportunities for solving problems of high complexity in structural biology and in other fields of science and technology. PMID:11792838

Supersymmetric string waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergshoeff, E.A.; Kallosh, R.; Ortin, T.

1993-06-15

We present plane-wave-type solutions of the lowest-order superstring effective action which have unbroken space-time supersymmetries. They are given by a stringy generalization of the Brinkmann metric, dialton, axion, and gauge fields. Some conspiracy between the metric and the axion field is required. The [alpha][prime] stringy corrections to the effective on-shell action, to the equations of motion (and therefore to the solutions themselves), and to the supersymmetry transformations are shown to vanish for a special class of these solutions that we call supersymmetric string waves (SSW's). In the SSW solutions, there exists a conspiracy not only between the metric and themore » axion field, but also between the gauge fields and the metric, since the embedding of the spin connection in the gauge group is required.« less

Stability analysis of the Peregrine solution via squared eigenfunctions

NASA Astrophysics Data System (ADS)

Schober, C. M.; Strawn, M.

2017-10-01

A preliminary numerical investigation involving ensembles of perturbed initial data for the Peregrine soliton (the lowest order rational solution of the nonlinear Schrödinger equation) indicates that it is unstable [16]. In this paper we analytically investigate the linear stability of the Peregrine soliton, appealing to the fact that the Peregrine solution can be viewed as the singular limit of a single mode spatially periodic breathers (SPB). The "squared eigenfunction" connection between the Zakharov-Shabat (Z-S) system and the linearized NLS equation is employed in the stability analysis. Specifically, we determine the eigenfunctions of the Z-S system associated with the Peregrine soliton and construct a family of solutions of the associated linearized NLS (about the Peregrine) in terms of quadratic products of components of the eigenfunctions (i.e., the squared eigenfunction). We find there exist solutions of the linearization that grow exponentially in time, thus showing the Peregrine soliton is linearly unstable.

Analytic approximations to the modon dispersion relation. [in oceanography

NASA Technical Reports Server (NTRS)

Boyd, J. P.

1981-01-01

Three explicit analytic approximations are given to the modon dispersion relation developed by Flierl et al. (1980) to describe Gulf Stream rings and related phenomena in the oceans and atmosphere. The solutions are in the form of k(q), and are developed in the form of a power series in q for small q, an inverse power series in 1/q for large q, and a two-point Pade approximant. The low order Pade approximant is shown to yield a solution for the dispersion relation with a maximum relative error for the lowest branch of the function equal to one in 700 in the q interval zero to infinity.

Effects of Heat Treatment on Corrosion and Wear Behaviors of Mg-6Gd-2Zn-0.4Zr Alloy in Simulated Body Fluid

NASA Astrophysics Data System (ADS)

Zhao, Li; Chen, Wei; Dai, Jianwei; Wang, Zhangzhong; Zhang, Xiaobo

2017-11-01

Mg-6Gd-2Zn-0.4Zr (wt.%, GZ62K) alloy was processed by solution treatment under different temperatures. The microstructure, hardness, corrosion and wear behaviors in simulated body fluid (SBF) have been studied. The results indicate that the (Mg, Zn)3Gd phase decreases, the precipitated phases gradually increase, and the long-period stacking ordered structure disappears with the increase of solution temperature. The alloy has better corrosion resistance after solution treatment, and that solution treated at 490 °C for 12 h shows the best corrosion resistance. The friction coefficient of the alloy under dry sliding condition decreases slightly, but the mass loss increases with increasing the solution temperature. The alloy solution treated at 460 °C for 12 h exhibits the lowest friction coefficient and mass loss in SBF, and it also has the best wear resistance under dry sliding condition.

Effect of pH of spray solution on the electrical properties of cadmium oxide thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hodlur, R. M.; Gunnagol, Raghu M.; Rabinal, M. K., E-mail: mkrabinal@yahoo.com

2015-06-24

Highly conducting transparent cadmium oxide thin films were prepared by conventional spray pyrolysis technique on glass at 375 °C substrate temperature. The pH of the spray solution was varied by adding ammonia/hydrochloric acid in the spray solution. The XRD pattern showed cubic phase. A lowest resistivity of 9.9 × 10{sup −4} Ω cm (with carrier concentration (n) = 5.1 × 10{sup 20} cm{sup −3}, mobility (µ)=12.4 cm{sup 2}/Vs) is observed for pH ∼12. The resistivity is tuned almost by three orders of magnitude by controlling the bath pH with optical transmittance more than 70 %. Thus, without any doping, the electricalmore » conductivity of CdO films could be easily tuned by simply varying the pH of spray solution without compromising the transparency and keeping the other deposition parameters fixed.« less

Analysis of temporal decay of diffuse broadband sound fields in enclosures by decomposition in powers of an absorption parameter

NASA Astrophysics Data System (ADS)

Bliss, Donald; Franzoni, Linda; Rouse, Jerry; Manning, Ben

2005-09-01

An analysis method for time-dependent broadband diffuse sound fields in enclosures is described. Beginning with a formulation utilizing time-dependent broadband intensity boundary sources, the strength of these wall sources is expanded in a series in powers of an absorption parameter, thereby giving a separate boundary integral problem for each power. The temporal behavior is characterized by a Taylor expansion in the delay time for a source to influence an evaluation point. The lowest-order problem has a uniform interior field proportional to the reciprocal of the absorption parameter, as expected, and exhibits relatively slow exponential decay. The next-order problem gives a mean-square pressure distribution that is independent of the absorption parameter and is primarily responsible for the spatial variation of the reverberant field. This problem, which is driven by input sources and the lowest-order reverberant field, depends on source location and the spatial distribution of absorption. Additional problems proceed at integer powers of the absorption parameter, but are essentially higher-order corrections to the spatial variation. Temporal behavior is expressed in terms of an eigenvalue problem, with boundary source strength distributions expressed as eigenmodes. Solutions exhibit rapid short-time spatial redistribution followed by long-time decay of a predominant spatial mode.

Simple and effective graphene laser processing for neuron patterning application

NASA Astrophysics Data System (ADS)

Lorenzoni, Matteo; Brandi, Fernando; Dante, Silvia; Giugni, Andrea; Torre, Bruno

2013-06-01

A straightforward fabrication technique to obtain patterned substrates promoting ordered neuron growth is presented. Chemical vapor deposition (CVD) single layer graphene (SLG) was machined by means of single pulse UV laser ablation technique at the lowest effective laser fluence in order to minimize laser damage effects. Patterned substrates were then coated with poly-D-lysine by means of a simple immersion in solution. Primary embryonic hippocampal neurons were cultured on our substrate, demonstrating an ordered interconnected neuron pattern mimicking the pattern design. Surprisingly, the functionalization is more effective on the SLG, resulting in notably higher alignment for neuron adhesion and growth. Therefore the proposed technique should be considered a valuable candidate to realize a new generation of highly specialized biosensors.

Simple and effective graphene laser processing for neuron patterning application

PubMed Central

Lorenzoni, Matteo; Brandi, Fernando; Dante, Silvia; Giugni, Andrea; Torre, Bruno

2013-01-01

A straightforward fabrication technique to obtain patterned substrates promoting ordered neuron growth is presented. Chemical vapor deposition (CVD) single layer graphene (SLG) was machined by means of single pulse UV laser ablation technique at the lowest effective laser fluence in order to minimize laser damage effects. Patterned substrates were then coated with poly-D-lysine by means of a simple immersion in solution. Primary embryonic hippocampal neurons were cultured on our substrate, demonstrating an ordered interconnected neuron pattern mimicking the pattern design. Surprisingly, the functionalization is more effective on the SLG, resulting in notably higher alignment for neuron adhesion and growth. Therefore the proposed technique should be considered a valuable candidate to realize a new generation of highly specialized biosensors. PMID:23739674

Local structure of NiPd solid solution alloys and its response to ion irradiation

DOE PAGES

Zhang, Fuxiang; Ullah, Mohammad Wali; Zhao, Shijun; ...

2018-04-27

The local structure of Ni$-$Pd solid solution alloys with compositions of Ni 80Pd 20 and Ni 50Pd 50 was investigated with anomalous X-ray diffraction, X-ray absorption and theoretical calculation/simulation. The fcc lattice is distorted for both alloys, and the Pd$-$Pd atomic pair distance is +4.4% and +1.4% larger than ideal values in Ni 80Pd 20 and Ni 50Pd 50 alloys, respectively. The corresponding atomic pair distance of Ni$-$Ni is -1.8% and -3.0% less than the ideal values. Different short-range orders in the alloys were quantitatively identified at the atomic level. In Ni 80Pd 20, Pd atoms are likely to formmore » Pd$-$Pd pairs, while Pd atoms are connected with Pd atoms in the second shell in the equiatomic solid solution alloy. Upon ion irradiation, little change of interatomic distance, but modification of chemical short-range order was observed. The number of Pd$-$Pd pairs decreases to the lowest value at 0.1 dpa, and further irradiation make it increase.« less

Local structure of NiPd solid solution alloys and its response to ion irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fuxiang; Ullah, Mohammad Wali; Zhao, Shijun

The local structure of Ni$-$Pd solid solution alloys with compositions of Ni 80Pd 20 and Ni 50Pd 50 was investigated with anomalous X-ray diffraction, X-ray absorption and theoretical calculation/simulation. The fcc lattice is distorted for both alloys, and the Pd$-$Pd atomic pair distance is +4.4% and +1.4% larger than ideal values in Ni 80Pd 20 and Ni 50Pd 50 alloys, respectively. The corresponding atomic pair distance of Ni$-$Ni is -1.8% and -3.0% less than the ideal values. Different short-range orders in the alloys were quantitatively identified at the atomic level. In Ni 80Pd 20, Pd atoms are likely to formmore » Pd$-$Pd pairs, while Pd atoms are connected with Pd atoms in the second shell in the equiatomic solid solution alloy. Upon ion irradiation, little change of interatomic distance, but modification of chemical short-range order was observed. The number of Pd$-$Pd pairs decreases to the lowest value at 0.1 dpa, and further irradiation make it increase.« less

Higher-Order Corrections to Earthʼs Ionosphere Shocks

NASA Astrophysics Data System (ADS)

Abdelwahed, H. G.; El-Shewy, E. K.

2017-01-01

Nonlinear shock wave structures in unmagnetized collisionless viscous plasmas composed fluid of positive (negative) ions and nonthermally electron distribution are examined. For ion shock formation, a reductive perturbation technique applied to derive Burgers equation for lowest-order potential. As the shock amplitude decreasing or enlarging, its steepness and velocity deviate from Burger equation. Burgers type equation with higher order dissipation must be obtained to avoid this deviation. Solution for the compined two equations has been derived using renormalization analysis. Effects of higher-order, positive- negative mass ratio Q, electron nonthermal parameter δ and kinematic viscosities coefficient of positive (negative) ions {η }1 and {η }2 on the electrostatic shocks in Earth’s ionosphere are also argued. Supported by the Deanship of Scientific Research at Prince Sattam Bin Abdulaziz University under the Research Project No. 2015/01/4787

One-loop quantum gravity repulsion in the early Universe.

PubMed

Broda, Bogusław

2011-03-11

Perturbative quantum gravity formalism is applied to compute the lowest order corrections to the classical spatially flat cosmological Friedmann-Lemaître-Robertson-Walker solution (for the radiation). The presented approach is analogous to the approach applied to compute quantum corrections to the Coulomb potential in electrodynamics, or rather to the approach applied to compute quantum corrections to the Schwarzschild solution in gravity. In the framework of the standard perturbative quantum gravity, it is shown that the corrections to the classical deceleration, coming from the one-loop graviton vacuum polarization (self-energy), have (UV cutoff free) opposite to the classical repulsive properties which are not negligible in the very early Universe. The repulsive "quantum forces" resemble those known from loop quantum cosmology.

Predicting vacancy-mediated diffusion of interstitial solutes in α -Fe

NASA Astrophysics Data System (ADS)

Barouh, Caroline; Schuler, Thomas; Fu, Chu-Chun; Jourdan, Thomas

2015-09-01

Based on a systematic first-principles study, the lowest-energy migration mechanisms and barriers for small vacancy-solute clusters (VnXm ) are determined in α -Fe for carbon, nitrogen, and oxygen, which are the most frequent interstitial solutes in several transition metals. We show that the dominant clusters present at thermal equilibrium (V X and V X2 ) have very reduced mobility compared to isolated solutes, while clusters composed of a solute bound to a small vacancy cluster may be significantly more mobile. In particular, V3X is found to be the fastest cluster for all three solutes. This result relies on the large diffusivity of the most compact trivacancy in a bcc lattice. Therefore, it may also be expected for interstitial solutes in other bcc metals. In the case of iron, we find that V3X may be as fast as or even more mobile than an interstitial solute. At variance with common assumptions, the trapping of interstitial solutes by vacancies does not necessarily decrease the mobility of the solute. Additionally, cluster dynamics simulations are performed considering a simple iron system with supersaturation of vacancies, in order to investigate the impacts of small mobile vacancy-solute clusters on properties such as the transport of solute and the cluster size distributions.

Relating the variation of secondary structure of gelatin at fish oil-water interface to adsorption kinetics, dynamic interfacial tension and emulsion stability.

PubMed

Liu, Huihua; Wang, Bo; Barrow, Colin J; Adhikari, Benu

2014-01-15

The objectives of this study were to quantify the relationship between secondary structure of gelatin and its adsorption at the fish-oil/water interface and to quantify the implication of the adsorption on the dynamic interfacial tension (DST) and emulsion stability. The surface hydrophobicity of the gelatin solutions decreased when the pH increased from 4.0 to 6.0, while opposite tend was observed in the viscosity of the solution. The DST values decreased as the pH increased from 4.0 to 6.0, indicating that higher positive charges (measured trough zeta potential) in the gelatin solution tended to result in higher DST values. The adsorption kinetics of the gelatin solution was examined through the calculated diffusion coefficients (Deff). The addition of acid promoted the random coil and β-turn structures at the expense of α-helical structure. The addition of NaOH decreased the β-turn and increased the α-helix and random coil. The decrease in the random coil and triple helix structures in the gelatin solution resulted into increased Deff values. The highest diffusion coefficients, the highest emulsion stability and the lowest amount of random coil and triple helix structures were observed at pH=4.8. The lowest amount of random coil and triple helix structures in the interfacial protein layer correlated with the highest stability of the emulsion (highest ESI value). The lower amount of random coil and triple helix structures allowed higher coverage of the oil-water interface by relatively highly ordered secondary structure of gelatin. Copyright © 2013 Elsevier Ltd. All rights reserved.

Analysis of Criteria Influencing Contractor Selection Using TOPSIS Method

NASA Astrophysics Data System (ADS)

Alptekin, Orkun; Alptekin, Nesrin

2017-10-01

Selection of the most suitable contractor is an important process in public construction projects. This process is a major decision which may influence the progress and success of a construction project. Improper selection of contractors may lead to problems such as bad quality of work and delay in project duration. Especially in the construction projects of public buildings, the proper choice of contractor is beneficial to the public institution. Public procurement processes have different characteristics in respect to dissimilarities in political, social and economic features of every country. In Turkey, Turkish Public Procurement Law PPL 4734 is the main regulatory law for the procurement of the public buildings. According to the PPL 4734, public construction administrators have to contract with the lowest bidder who has the minimum requirements according to the criteria in prequalification process. Public administrators are not sufficient for selection of the proper contractor because of the restrictive provisions of the PPL 4734. The lowest bid method does not enable public construction administrators to select the most qualified contractor and they have realised the fact that the selection of a contractor based on lowest bid alone is inadequate and may lead to the failure of the project in terms of time delay Eand poor quality standards. In order to evaluate the overall efficiency of a project, it is necessary to identify selection criteria. This study aims to focus on identify importance of other criteria besides lowest bid criterion in contractor selection process of PPL 4734. In this study, a survey was conducted to staff of Department of Construction Works of Eskisehir Osmangazi University. According to TOPSIS (Technique for Order Preference by Similarity to the Ideal Solution) for analysis results, termination of construction work in previous tenders is the most important criterion of 12 determined criteria. The lowest bid criterion is ranked in rank 5.

Facile synthesis of ZnFe2O4 photocatalysts for decolourization of organic dyes under solar irradiation

PubMed Central

Behera, Arjun; Kandi, Debasmita; Majhi, Sanjit Manohar

2018-01-01

ZnFe2O4 was fabricated by a simple solution-combustion method. The structural, optical and electronic properties are investigated by XRD, TEM, FESEM, UV–vis DRS, PL, FTIR and photocurrent measurements. The photocatalytic activity of the prepared material is studied with regard to the degradation of rhodamine B (Rh B) and Congo red under solar irradiation. The kinetic study showed that the material exhibits zeroth and first order reaction kinetics for the degradation of Rh B and Congo red, respectively. The photocatalytic behaviour of ZnFe2O4 was systematically studied as a function of the activation temperature. ZnFe2O4 prepared at 500 °C showed the highest activity in degrading Rh B and Congo red. The highest activity of ZnFe2O4-500 °C correlates well with the lowest PL intensity, highest photocurrent and lowest particle size. PMID:29515956

The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution.

PubMed

Silva, Daniel L; Murugan, N Arul; Kongsted, Jacob; Rinkevicius, Zilvinas; Canuto, Sylvio; Ågren, Hans

2012-07-19

Solvent effects on the one- and two-photon absorption (1PA and 2PA) of disperse orange 3 (DO3) in dimethyl sulfoxide (DMSO) are studied using a discrete polarizable embedding (PE) response theory. The scheme comprises a quantum region containing the chromophore and an atomically granulated classical region for the solvent accounting for full interactions within and between the two regions. Either classical molecular dynamics (MD) or hybrid Car-Parrinello (CP) quantum/classical (QM/MM) molecular dynamics simulations are employed to describe the solvation of DO3 in DMSO, allowing for an analysis of the effect of the intermolecular short-range repulsion, long-range attraction, and electrostatic interactions on the conformational changes of the chromophore and also the effect of the solute-solvent polarization. PE linear response calculations are performed to verify the character, solvatochromic shift, and overlap of the two lowest energy transitions responsible for the linear absorption spectrum of DO3 in DMSO in the visible spectral region. Results of the PE linear and quadratic response calculations, performed using uncorrelated solute-solvent configurations sampled from either the classical or hybrid CP QM/MM MD simulations, are used to estimate the width of the line shape function of the two electronic lowest energy excited states, which allow a prediction of the 2PA cross-sections without the use of empirical parameters. Appropriate exchange-correlation functionals have been employed in order to describe the charge-transfer process following the electronic transitions of the chromophore in solution.

The Effects of Different Isocaloric Oral Nutrient Solutions on Psychophysical, Metabolic, Cognitive, and Olfactory Function in Young Male Subjects

PubMed Central

Bachlechner, Stephan; Denzer-Lippmann, Melanie Y.; Wielopolski, Jan; Fischer, Marie; Buettner, Andrea; Doerfler, Arndt; Schöfl, Christof; Münch, Gerald; Kornhuber, Johannes; Thürauf, Norbert

2017-01-01

Food intake influences human cognition, olfaction, hunger, and food craving. However, little research has been done in this field to elucidate the effects of different nutrients. Thus, the goal of our study was to investigate the effects of oral ingestion of different nutrient solutions on olfactory, cognitive, metabolic and psychophysical function. Twenty healthy men participated in our study employing a double-blind, cross-over, repeated measurement design. Participants were tested on four different study days. Each day participants received, in randomized order, one of three isocaloric (protein, carbohydrate or fat 600 kcal, 1,500 mL) solutions or a placebo. Olfactory and cognitive tests (monitoring only) were conducted three times, i.e., 60 min before the beginning of nutrient intake, following oral ingestion of the solution and 60, and 240 min after. Psychophysical and metabolic function tests (active grehlin, desacyl ghrelin, insulin, glucagon, glucose, triglyceride, urea) were performed 7 times on each examination day (observation period: −60 min, 0 = solution intake, +60, +120, +180, +240, and +300 min). Ratings of hunger and food craving significantly differed over the observation period with lowest ratings following application of the protein solution. Highest ratings of craving were found following placebo intake. We further observed a significant positive correlation of active grehlin with hunger and fat, protein and sweets craving for each nutrient solution. Active grehlin significantly correlated with carbohydrate craving for carbohydrate and fat solution and with vegetable craving for fat solution only. Hunger hormone levels, hunger and food craving ratings demonstrated that the hierarchical order that appears in satiating efficiencies of isovolumetric-isocaloric ingested macronutrients is protein > fat > carbohydrate. Our study reveals that the type of nutrient exerts a significant influence on metabolic parameters, hunger and food craving. PMID:29218021

Effect of Electronic Excitation on Hydrogen Atom Transfer (Tautomerization) Reactions for the DNA Base Adenine

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Salter, Latasha M.; Kwak, Dochan (Technical Monitor)

2002-01-01

Geometrical structures and energetic properties for four different tautomers of adenine are calculated in this study, using multi-configurational wave functions. Both the ground and the lowest single excited state potential energy surface are studied. The energetic order of the tautomers on the ground state potential surface is 9H less than 7H less than 3H less than 1H, while on the excited state surface this order is found to be different: 3H less than 1H less than 9H less than 7H. Minimum energy reaction paths are obtained for hydrogen atom transfer (9 yields 3 tautomerization) reactions in the ground and the lowest excited electronic state. It is found that the barrier heights and the shapes of the reaction paths are different for the ground and the excited electronic state, suggesting that the probability of such tautomerization reaction is higher on the excited state potential energy surface. The barrier for this reaction in the excited state may become very low in the presence of water or other polar solvent molecules, and therefore such tautomerization reaction may play an important role in the solution phase photochemistry of adenine.

Relationship between Solvation Thermodynamics from IST and DFT Perspectives.

PubMed

Levy, Ronald M; Cui, Di; Zhang, Bin W; Matubayasi, Nobuyuki

2017-04-20

Inhomogeneous solvation theory (IST) and classical density functional theory (DFT) each provide a framework for relating distribution functions of solutions to their thermodynamic properties. As reviewed in this work, both IST and DFT can be formulated in a way that use two "end point" simulations, one of the pure solvent and the other of the solution, to determine the solute chemical potential and other thermodynamic properties of the solution and of subvolumes in regions local to the solute containing hydrating waters. In contrast to IST, where expressions for the excess energy and entropy of solution are the object of analysis, in the DFT end point formulation of the problem, the solute-solvent potential of mean force (PMF) plays a central role. The indirect part of the PMF corresponds to the lowest order (1-body) truncation of the IST expression. Because the PMF is a free energy function, powerful numerical methods can be used to estimate it. We show that the DFT expressions for the solute excess chemical potential can be written in a form which is local, involving integrals only over regions proximate to the solute. The DFT end point route to estimating solvation free energies provides an alternative path to that of IST for analyzing solvation effects on molecular recognition and conformational changes in solution, which can lead to new insights. In order to illustrate the kind of information that is contained in the solute-solvent PMF, we have carried out simulations of β-cyclodextrin in water. This solute is a well studied "host" molecule to which "guest" molecules bind; host-guest systems serve as models for molecular recognition. We illustrate the range of values the direct and indirect parts of the solute-solvent PMF can have as a water molecule is brought to the interface of β-cyclodextrin from the bulk; we discuss the "competition" between these two terms, and the role it plays in molecular recognition.

Critical Role of Surface Energy in Guiding Crystallization of Solution-Coated Conjugated Polymer Thin Films

DOE PAGES

Zhang, Fengjiao; Mohammadi, Erfan; Luo, Xuyi; ...

2017-10-02

It is well-known that substrate surface properties have a profound impact on morphology of thin films solution coated atop and the resulting solid-state properties. However, design rules for guiding the substrate selection have not yet been established. Such design rules are particularly important for solution coated semiconducting polymers, as the substratedirected thin film morphology can impact charge transport properties by orders of magnitude. We hypothesize that substrate surface energies dictate the thin film morphology by modulating the free energy barrier to heterogeneous nucleation. To test this hypothesis, we systematically vary the substrate surface energy via surface functionalization techniques. We performmore » in-depth morphology and device characterizations to establish the relationship between substrate surface energy, thin film morphology and charge transport properties, employing a donor-accepter (D-A) conjugated polymer. Here, we find that decreasing the substrate surface energy progressively increases thin film crystallinity, degree of molecular ordering and extent of domain alignment. Notably, the enhanced morphology on the lowest surface energy substrate lead to a 10-fold increase in the charge carrier mobility. We further develop a free energy model relating the substrate surface energy to the penalty of heterogeneous nucleation from solution in the thin film geometry. The model correctly predicts the experimental trend, thereby validating our hypothesis. This work is a significant step towards establishing design rules and understanding the critical role of substrates in determining morphology of solution coated thin films.« less

Critical Role of Surface Energy in Guiding Crystallization of Solution-Coated Conjugated Polymer Thin Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fengjiao; Mohammadi, Erfan; Luo, Xuyi

It is well-known that substrate surface properties have a profound impact on morphology of thin films solution coated atop and the resulting solid-state properties. However, design rules for guiding the substrate selection have not yet been established. Such design rules are particularly important for solution coated semiconducting polymers, as the substratedirected thin film morphology can impact charge transport properties by orders of magnitude. We hypothesize that substrate surface energies dictate the thin film morphology by modulating the free energy barrier to heterogeneous nucleation. To test this hypothesis, we systematically vary the substrate surface energy via surface functionalization techniques. We performmore » in-depth morphology and device characterizations to establish the relationship between substrate surface energy, thin film morphology and charge transport properties, employing a donor-accepter (D-A) conjugated polymer. Here, we find that decreasing the substrate surface energy progressively increases thin film crystallinity, degree of molecular ordering and extent of domain alignment. Notably, the enhanced morphology on the lowest surface energy substrate lead to a 10-fold increase in the charge carrier mobility. We further develop a free energy model relating the substrate surface energy to the penalty of heterogeneous nucleation from solution in the thin film geometry. The model correctly predicts the experimental trend, thereby validating our hypothesis. This work is a significant step towards establishing design rules and understanding the critical role of substrates in determining morphology of solution coated thin films.« less

Software for the Design of Swimming Pool Dehumidifiers Units

NASA Astrophysics Data System (ADS)

Rubina, Aleš; Blasinski, Petr; Tesař, Zdeněk

2013-06-01

The article deals with the description and solution of physical phenomena taking place during evaporation of water. The topicality of the theme is given a number of built indoor swimming pool and wellness centers at present. In addressing HVAC systems serving these areas, it is necessary to know the various design parameters in the interior including the water temperature as the pool temperature and humidity. Following is a description of the calculation module, air handling units, including optimizing the settings of the physical changes in order to ensure the lowest energy consumption for air treatment and required maintaining internal microclimate parameters.

Renormalization Group Theory of Bolgiano Scaling in Boussinesq Turbulence

NASA Technical Reports Server (NTRS)

Rubinstein, Robert

1994-01-01

Bolgiano scaling in Boussinesq turbulence is analyzed using the Yakhot-Orszag renormalization group. For this purpose, an isotropic model is introduced. Scaling exponents are calculated by forcing the temperature equation so that the temperature variance flux is constant in the inertial range. Universal amplitudes associated with the scaling laws are computed by expanding about a logarithmic theory. Connections between this formalism and the direct interaction approximation are discussed. It is suggested that the Yakhot-Orszag theory yields a lowest order approximate solution of a regularized direct interaction approximation which can be corrected by a simple iterative procedure.

Evaluation of recent GRACE monthly solution series with an ice sheet perspective

NASA Astrophysics Data System (ADS)

Horwath, Martin; Groh, Andreas

2016-04-01

GRACE monthly global gravity field solutions have undergone a remarkable evolution, leading to the latest (Release 5) series by CSR, GFZ, and JPL, to new series by other processing centers, such as ITSG and AIUB, as well as to efforts to derive combined solutions, particularly by the EGSIEM (European Gravity Service for Improved Emergency Management) project. For applications, such as GRACE inferences on ice sheet mass balance, the obvious question is on what GRACE solution series to base the assessment. Here we evaluate different GRACE solution series (including the ones listed above) in a unified framework. We concentrate on solutions expanded up to degree 90 or higher, since this is most appropriate for polar applications. We empirically assess the error levels in the spectral as well as in the spatial domain based on the month-to-month scatter in the high spherical harmonic degrees. We include empirical assessment of error correlations. We then apply all series to infer Antarctic and Greenland mass change time series and compare the results in terms of apparent signal content and noise level. We find that the ITSG solutions show lowest noise level in the high degrees (above 60). A preliminary combined solution from the EGSIEM project shows lowest noise in the degrees below 60. This virtue maps into the derived ice mass time series, where the EGSIEM-based results show the lowest noise in most cases. Meanwhile, there is no indication that any of the considered series systematically dampens actual geophysical signals.

Cloud Tracking from Satellite Pictures.

DTIC Science & Technology

1981-07-01

sufficiently smooth contours, this information can be obtained from very few low-order coefficients. The inverse transform of the two lowest-order...obtained from very few low- order coefficients. The inverse transform of the two lowest-order coefficients is an ellipse approximating the original...coefficients obtained from the contour of Fig. 9. .. . ........ .. .. ... ..... 67 11. Inverse transform of truncated FD series .. .. . .. .... 67 12

Optical spectra obtained from amorphous films of rubrene: Evidence for predominance of twisted isomer

NASA Astrophysics Data System (ADS)

Kytka, M.; Gisslen, L.; Gerlach, A.; Heinemeyer, U.; Kováč, J.; Scholz, R.; Schreiber, F.

2009-06-01

In order to investigate the optical properties of rubrene we study the vibronic progression of the first absorption band (lowest π →π∗ transition). We analyze the dielectric function ɛ2 of rubrene in solution and thin films using the displaced harmonic oscillator model and derive all relevant parameters of the vibronic progression. The findings are supplemented by density functional calculations using B3LYP hybrid functionals. Our theoretical results for the molecule in two different conformations, i.e., with a twisted or planar tetracene backbone, are in very good agreement with the experimental data obtained for rubrene in solution and thin films. Moreover, a simulation based on the monomer spectrum and the calculated transition energies of the two conformations indicates that the thin film spectrum of rubrene is dominated by the twisted isomer.

Optical spectra obtained from amorphous films of rubrene: Evidence for predominance of twisted isomer.

PubMed

Kytka, M; Gisslen, L; Gerlach, A; Heinemeyer, U; Kovác, J; Scholz, R; Schreiber, F

2009-06-07

In order to investigate the optical properties of rubrene we study the vibronic progression of the first absorption band (lowest pi-->pi( *) transition). We analyze the dielectric function epsilon(2) of rubrene in solution and thin films using the displaced harmonic oscillator model and derive all relevant parameters of the vibronic progression. The findings are supplemented by density functional calculations using B3LYP hybrid functionals. Our theoretical results for the molecule in two different conformations, i.e., with a twisted or planar tetracene backbone, are in very good agreement with the experimental data obtained for rubrene in solution and thin films. Moreover, a simulation based on the monomer spectrum and the calculated transition energies of the two conformations indicates that the thin film spectrum of rubrene is dominated by the twisted isomer.

On the nature of the Mott transition in multiorbital systems

NASA Astrophysics Data System (ADS)

Facio, Jorge I.; Vildosola, V.; García, D. J.; Cornaglia, Pablo S.

2017-02-01

We analyze the nature of a Mott metal-insulator transition in multiorbital systems using dynamical mean-field theory. The auxiliary multiorbital quantum impurity problem is solved using continuous-time quantum Monte Carlo and the rotationally invariant slave-boson (RISB) mean-field approximation. We focus our analysis on the Kanamori Hamiltonian and find that there are two markedly different regimes determined by the nature of the lowest-energy excitations of the atomic Hamiltonian. The RISB results at T →0 suggest the following rule of thumb for the order of the transition at zero temperature: a second-order transition is to be expected if the lowest-lying excitations of the atomic Hamiltonian are charge excitations, while the transition tends to be first order if the lowest-lying excitations are in the same charge sector as the atomic ground state. At finite temperatures, the transition is first order and its strength, as measured, e.g., by the jump in the quasiparticle weight at the transition, is stronger in the parameter regime where the RISB method predicts a first-order transition at zero temperature. Interestingly, these results seem to apply to a wide variety of models and parameter regimes.

A connection between the maximum displacements of rogue waves and the dynamics of poles in the complex plane.

PubMed

Liu, T Y; Chiu, T L; Clarkson, P A; Chow, K W

2017-09-01

Rogue waves of evolution systems are displacements which are localized in both space and time. The locations of the points of maximum displacements of the wave profiles may correlate with the trajectories of the poles of the exact solutions from the perspective of complex variables through analytic continuation. More precisely, the location of the maximum height of the rogue wave in laboratory coordinates (real space and time) is conjectured to be equal to the real part of the pole of the exact solution, if the spatial coordinate is allowed to be complex. This feature can be verified readily for the Peregrine breather (lowest order rogue wave) of the nonlinear Schrödinger equation. This connection is further demonstrated numerically here for more complicated scenarios, namely the second order rogue wave of the Boussinesq equation (for bidirectional long waves in shallow water), an asymmetric second order rogue wave for the nonlinear Schrödinger equation (as evolution system for slowly varying wave packets), and a symmetric second order rogue wave of coupled Schrödinger systems. Furthermore, the maximum displacements in physical space occur at a time instant where the trajectories of the poles in the complex plane reverse directions. This property is conjectured to hold for many other systems, and will help to determine the maximum amplitudes of rogue waves.

A connection between the maximum displacements of rogue waves and the dynamics of poles in the complex plane

NASA Astrophysics Data System (ADS)

Liu, T. Y.; Chiu, T. L.; Clarkson, P. A.; Chow, K. W.

2017-09-01

Rogue waves of evolution systems are displacements which are localized in both space and time. The locations of the points of maximum displacements of the wave profiles may correlate with the trajectories of the poles of the exact solutions from the perspective of complex variables through analytic continuation. More precisely, the location of the maximum height of the rogue wave in laboratory coordinates (real space and time) is conjectured to be equal to the real part of the pole of the exact solution, if the spatial coordinate is allowed to be complex. This feature can be verified readily for the Peregrine breather (lowest order rogue wave) of the nonlinear Schrödinger equation. This connection is further demonstrated numerically here for more complicated scenarios, namely the second order rogue wave of the Boussinesq equation (for bidirectional long waves in shallow water), an asymmetric second order rogue wave for the nonlinear Schrödinger equation (as evolution system for slowly varying wave packets), and a symmetric second order rogue wave of coupled Schrödinger systems. Furthermore, the maximum displacements in physical space occur at a time instant where the trajectories of the poles in the complex plane reverse directions. This property is conjectured to hold for many other systems, and will help to determine the maximum amplitudes of rogue waves.

Comparison of three different techniques for application of water solutions to Finn Chambers®.

PubMed

Frick-Engfeldt, Malin; Gruvberger, Birgitta; Isaksson, Marléne; Hauksson, Inese; Pontén, Ann; Bruze, Magnus

2010-11-01

With regard to contact allergy, the dose of a sensitizer per unit skin area is an important factor for both sensitization and elicitation, and therefore a known amount/volume of test preparation should be applied at patch testing. To compare three different techniques for the application of aqueous solutions to Finn Chambers, in order to determine the precision and accuracy of each technique when the recommended 15 µl volume is applied. Four technicians applied formaldehyde 1.0% aq. (wt/vol) and methylchloroisothiazolinone/methylisothiazolinone 200 ppm (wt/vol) in sets of 10 onto Finn Chambers, with three different techniques: (i) micro-pipetting; (ii) dripping the solutions; and (iii) dripping the solutions followed by removal of excess solution with a soft tissue. Assessment of the variations was performed with the use of descriptive data. The ability to apply the exact amount was assessed by Fisher's exact test by categorizing each application as in or out of the range 12-18 µl. The micro-pipette technique had the best accuracy and precision, as well as the lowest inter-individual variation. The technique in which excess solution was removed had good precision, but failed in the application of the defined amount, i.e. 15 µl. © 2010 John Wiley & Sons A/S.

First-principles investigation of competing magnetic interactions in (Mn ,Fe )Ru2Sn Heusler solid solutions

NASA Astrophysics Data System (ADS)

Decolvenaere, Elizabeth; Gordon, Michael; Seshadri, Ram; Van der Ven, Anton

2017-10-01

Many Heusler compounds possess magnetic properties well suited for applications as spintronic materials. The pseudobinary Mn0.5Fe0.5Ru2Sn , formed as a solid solution of two full Heuslers, has recently been shown to exhibit exchange hardening suggestive of two magnetic phases, despite existing as a single chemical phase. We have performed a first-principles study of the chemical and magnetic degrees of freedom in the Mn1 -xFexRu2Sn pseudobinary to determine the origin of the unique magnetic behavior responsible for exchange hardening within a single phase. We find a transition from antiferromagnetic (AFM) to ferromagnetic (FM) behavior upon replacement of Mn with Fe, consistent with experimental results. The lowest energy orderings in Mn1 -xFexRu2Sn consist of chemically and magnetically uniform (111) planes, with Fe-rich regions preferring FM ordering and Mn-rich regions preferring AFM ordering, independent of the overall composition. Analysis of the electronic structure suggests that the magnetic behavior of this alloy arises from a competition between AFM-favoring Sn-mediated superexchange and FM-favoring RKKY exchange mediated by spin-polarized conduction electrons. Changes in valency upon replacement of Mn with Fe shifts the balance from superexchange-dominated interactions to RKKY-dominated interactions.

KINK AND SAUSAGE MODES IN NONUNIFORM MAGNETIC SLABS WITH CONTINUOUS TRANSVERSE DENSITY DISTRIBUTIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Hui; Li, Bo; Chen, Shao-Xia

2015-11-20

We examine the influence of a continuous density structuring transverse to coronal slabs on the dispersive properties of fundamental standing kink and sausage modes supported therein. We derive generic dispersion relations (DRs) governing linear fast waves in pressureless straight slabs with general transverse density distributions, and focus on cases where the density inhomogeneity takes place in a layer of arbitrary width and in arbitrary form. The physical relevance of the solutions to the DRs is demonstrated by the corresponding time-dependent computations. For all profiles examined, the lowest order kink modes are trapped regardless of longitudinal wavenumber k. A continuous density distribution introducesmore » a difference to their periods of ≲13% when k is the observed range relative to the case where the density profile takes a step function form. Sausage modes and other branches of kink modes are leaky at small k, and their periods and damping times are heavily influenced by how the transverse density profile is prescribed, in particular the length scale. These modes have sufficiently high quality to be observable only for physical parameters representative of flare loops. We conclude that while the simpler DR pertinent to a step function profile can be used for the lowest order kink modes, the detailed information on the transverse density structuring needs to be incorporated into studies of sausage modes and higher order kink modes.« less

Roy-Steiner equations for pion-nucleon scattering

NASA Astrophysics Data System (ADS)

Ditsche, C.; Hoferichter, M.; Kubis, B.; Meißner, U.-G.

2012-06-01

Starting from hyperbolic dispersion relations, we derive a closed system of Roy-Steiner equations for pion-nucleon scattering that respects analyticity, unitarity, and crossing symmetry. We work out analytically all kernel functions and unitarity relations required for the lowest partial waves. In order to suppress the dependence on the high energy regime we also consider once- and twice-subtracted versions of the equations, where we identify the subtraction constants with subthreshold parameters. Assuming Mandelstam analyticity we determine the maximal range of validity of these equations. As a first step towards the solution of the full system we cast the equations for the π π to overline N N partial waves into the form of a Muskhelishvili-Omnès problem with finite matching point, which we solve numerically in the single-channel approximation. We investigate in detail the role of individual contributions to our solutions and discuss some consequences for the spectral functions of the nucleon electromagnetic form factors.

Reducing background contributions in fluorescence fluctuation time-traces for single-molecule measurements in solution.

PubMed

Földes-Papp, Zeno; Liao, Shih-Chu Jeff; You, Tiefeng; Barbieri, Beniamino

2009-08-01

We first report on the development of new microscope means that reduce background contributions in fluorescence fluctuation methods: i) excitation shutter, ii) electronic switches, and iii) early and late time-gating. The elements allow for measuring molecules at low analyte concentrations. We first found conditions of early and late time-gating with time-correlated single-photon counting that made the fluorescence signal as bright as possible compared with the fluctuations in the background count rate in a diffraction-limited optical set-up. We measured about a 140-fold increase in the amplitude of autocorrelated fluorescence fluctuations at the lowest analyte concentration of about 15 pM, which gave a signal-to-background advantage of more than two-orders of magnitude. The results of this original article pave the way for single-molecule detection in solution and in live cells without immobilization or hydrodynamic/electrokinetic focusing at longer observation times than are currently available.

Adaptive multigrid domain decomposition solutions for viscous interacting flows

NASA Technical Reports Server (NTRS)

Rubin, Stanley G.; Srinivasan, Kumar

1992-01-01

Several viscous incompressible flows with strong pressure interaction and/or axial flow reversal are considered with an adaptive multigrid domain decomposition procedure. Specific examples include the triple deck structure surrounding the trailing edge of a flat plate, the flow recirculation in a trough geometry, and the flow in a rearward facing step channel. For the latter case, there are multiple recirculation zones, of different character, for laminar and turbulent flow conditions. A pressure-based form of flux-vector splitting is applied to the Navier-Stokes equations, which are represented by an implicit lowest-order reduced Navier-Stokes (RNS) system and a purely diffusive, higher-order, deferred-corrector. A trapezoidal or box-like form of discretization insures that all mass conservation properties are satisfied at interfacial and outflow boundaries, even for this primitive-variable, non-staggered grid computation.

Hydration effects on the electrostatic potential around tuftsin.

PubMed

Valdeavella, C V; Blatt, H D; Yang, L; Pettitt, B M

1999-08-01

The electrostatic potential and component dielectric constants from molecular dynamics (MD) trajectories of tuftsin, a tetrapeptide with the amino acid sequence Thr-Lys-Pro-Arg in water and in saline solution are presented. The results obtained from the analysis of the MD trajectories for the total electrostatic potential at points on a grid using the Ewald technique are compared with the solution to the Poisson-Boltzmann (PB) equation. The latter was solved using several sets of dielectric constant parameters. The effects of structural averaging on the PB results were also considered. Solute conformational mobility in simulations gives rise to an electrostatic potential map around the solute dominated by the solute monopole (or lowest order multipole). The detailed spatial variation of the electrostatic potential on the molecular surface brought about by the compounded effects of the distribution of water and ions close to the peptide, solvent mobility, and solute conformational mobility are not qualitatively reproducible from a reparametrization of the input solute and solvent dielectric constants to the PB equation for a single structure or for structurally averaged PB calculations. Nevertheless, by fitting the PB to the MD electrostatic potential surfaces with the dielectric constants as fitting parameters, we found that the values that give the best fit are the values calculated from the MD trajectories. Implications of using such field calculations on the design of tuftsin peptide analogues are discussed.

Preferential flow systems amended with biogeochemical components: imaging of a two-dimensional study

NASA Astrophysics Data System (ADS)

Pales, Ashley R.; Li, Biting; Clifford, Heather M.; Kupis, Shyla; Edayilam, Nimisha; Montgomery, Dawn; Liang, Wei-zhen; Dogan, Mine; Tharayil, Nishanth; Martinez, Nicole; Moysey, Stephen; Powell, Brian; Darnault, Christophe J. G.

2018-04-01

The vadose zone is a highly interactive heterogeneous system through which water enters the subsurface system by infiltration. This paper details the effects of simulated plant exudate and soil component solutions upon unstable flow patterns in a porous medium (ASTM silica sand; US Silica, Ottawa, IL, USA) through the use of two-dimensional tank light transmission method (LTM). The contact angle (θ) and surface tension (γ) of two simulated plant exudate solutions (i.e., oxalate and citrate) and two soil component solutions (i.e., tannic acid and Suwannee River natural organic matter, SRNOM) were analyzed to determine the liquid-gas and liquid-solid interface characteristics of each. To determine if the unstable flow formations were dependent on the type and concentration of the simulated plant exudates and soil components, the analysis of the effects of the simulated plant exudate and soil component solutions were compared to a control solution (Hoagland nutrient solution with 0.01 M NaCl). Fingering flow patterns, vertical and horizontal water saturation profiles, water saturation at the fingertips, finger dimensions and velocity, and number of fingers were obtained using the light transmission method. Significant differences in the interface properties indicated a decrease between the control and the plant exudate and soil component solutions tested; specifically, the control (θ = 64.5° and γ = 75.75 mN m-1) samples exhibited a higher contact angle and surface tension than the low concentration of citrate (θ = 52.6° and γ = 70.8 mN m-1). Wetting front instability and fingering flow phenomena were reported in all infiltration experiments. The results showed that the plant exudates and soil components influenced the soil infiltration as differences in finger geometries, velocities, and water saturation profiles were detected when compared to the control. Among the tested solutions and concentrations of soil components, the largest finger width (10.19 cm) was generated by the lowest tannic acid solution concentration (0.1 mg L-1), and the lowest finger width (6.00 cm) was induced by the highest SRNOM concentration (10 mg L-1). Similarly, for the plant exudate solutions, the largest finger width (8.36 cm) was generated by the lowest oxalate solution concentration (0.1 mg L-1), and the lowest finger width (6.63 cm) was induced by the lowest citrate concentration (0.1 mg L-1). The control solution produced fingers with average width of 8.30 cm. Additionally, the wettability of the medium for the citrate, oxalate, and SRNOM solutions increased with an increase in concentration. Our research demonstrates that the plant exudates and soil components which are biochemical compounds produced and released in soil are capable of influencing the process of infiltration in soils. The results of this research also indicate that soil wettability, expressed as cosθ1/2, should be included in the scaling of the finger dimension, i.e., finger width, when using the Miller and Miller (1956) scaling theory for the scaling of flow in porous media.

MIB Galerkin method for elliptic interface problems.

PubMed

Xia, Kelin; Zhan, Meng; Wei, Guo-Wei

2014-12-15

Material interfaces are omnipresent in the real-world structures and devices. Mathematical modeling of material interfaces often leads to elliptic partial differential equations (PDEs) with discontinuous coefficients and singular sources, which are commonly called elliptic interface problems. The development of high-order numerical schemes for elliptic interface problems has become a well defined field in applied and computational mathematics and attracted much attention in the past decades. Despite of significant advances, challenges remain in the construction of high-order schemes for nonsmooth interfaces, i.e., interfaces with geometric singularities, such as tips, cusps and sharp edges. The challenge of geometric singularities is amplified when they are associated with low solution regularities, e.g., tip-geometry effects in many fields. The present work introduces a matched interface and boundary (MIB) Galerkin method for solving two-dimensional (2D) elliptic PDEs with complex interfaces, geometric singularities and low solution regularities. The Cartesian grid based triangular elements are employed to avoid the time consuming mesh generation procedure. Consequently, the interface cuts through elements. To ensure the continuity of classic basis functions across the interface, two sets of overlapping elements, called MIB elements, are defined near the interface. As a result, differentiation can be computed near the interface as if there is no interface. Interpolation functions are constructed on MIB element spaces to smoothly extend function values across the interface. A set of lowest order interface jump conditions is enforced on the interface, which in turn, determines the interpolation functions. The performance of the proposed MIB Galerkin finite element method is validated by numerical experiments with a wide range of interface geometries, geometric singularities, low regularity solutions and grid resolutions. Extensive numerical studies confirm the designed second order convergence of the MIB Galerkin method in the L ∞ and L 2 errors. Some of the best results are obtained in the present work when the interface is C 1 or Lipschitz continuous and the solution is C 2 continuous.

Interim results of quality-control sampling of surface water for the Upper Colorado River National Water-Quality Assessment Study Unit, water years 1995-96

USGS Publications Warehouse

Spahr, N.E.; Boulger, R.W.

1997-01-01

Quality-control samples provide part of the information needed to estimate the bias and variability that result from sample collection, processing, and analysis. Quality-control samples of surface water collected for the Upper Colorado River National Water-Quality Assessment study unit for water years 1995?96 are presented and analyzed in this report. The types of quality-control samples collected include pre-processing split replicates, concurrent replicates, sequential replicates, post-processing split replicates, and field blanks. Analysis of the pre-processing split replicates, concurrent replicates, sequential replicates, and post-processing split replicates is based on differences between analytical results of the environmental samples and analytical results of the quality-control samples. Results of these comparisons indicate that variability introduced by sample collection, processing, and handling is low and will not affect interpretation of the environmental data. The differences for most water-quality constituents is on the order of plus or minus 1 or 2 lowest rounding units. A lowest rounding unit is equivalent to the magnitude of the least significant figure reported for analytical results. The use of lowest rounding units avoids some of the difficulty in comparing differences between pairs of samples when concentrations span orders of magnitude and provides a measure of the practical significance of the effect of variability. Analysis of field-blank quality-control samples indicates that with the exception of chloride and silica, no systematic contamination of samples is apparent. Chloride contamination probably was the result of incomplete rinsing of the dilute cleaning solution from the outlet ports of the decaport sample splitter. Silica contamination seems to have been introduced by the blank water. Sampling and processing procedures for water year 1997 have been modified as a result of these analyses.

σ -SCF: A Direct Energy-targeting Method To Mean-field Excited States

NASA Astrophysics Data System (ADS)

Ye, Hongzhou; Welborn, Matthew; Ricke, Nathan; van Voorhis, Troy

The mean-field solutions of electronic excited states are much less accessible than ground state (e.g. Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF, tend to fall into the lowest solution consistent with a given symmetry - a problem known as ``variational collapse''. In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states - ground or excited - are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H2, HF). This work was funded by a Grant from NSF (CHE-1464804).

Evidence for higher order QED effects in e+ e- pair production at the BNL Relativistic Heavy Ion Collider.

PubMed

Baltz, A J

2008-02-15

A new lowest order QED calculation for BNL Relativistic Heavy-Ion Collider e+ e- pair production has been carried out with a phenomenological treatment of the Coulomb dissociation of the heavy-ion nuclei observed in the STAR ZDC triggers. The lowest order QED result for the experimental acceptance is nearly 2 standard deviations larger than the STAR data. A corresponding higher-order QED calculation is consistent with the data.

41 CFR 101-26.100-1 - Procurement of lowest cost items.

Code of Federal Regulations, 2010 CFR

2010-07-01

... similar items to meet particular end-use requirements under the GSA stock program, special order program... functional end-use procurement needs of the various ordering agencies. Therefore, in submitting requisitions... source from which the lowest cost item can be obtained which will adequately serve the functional end-use...

Manipulation of σ{sub y}/κ ratio in single phase FCC solid-solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, J. I.; Oh, H. S.; Park, E. S., E-mail: espark@snu.ac.kr

2016-08-08

We investigate how to manipulate the ratio between thermal conductivity (κ) and yield strength (σ{sub y}) in face-centered cubic solid-solutions by varying the number of principal elements (NPEs) and temperature. The influence of NPEs on κ and its electronic (κ{sub e}) and lattice (κ{sub l}) contribution is evaluated using the Wiedemann–Franz law. Positive Δκ/ΔT and the highest κ{sub l}/κ{sub e} ratio in high-entropy alloys (HEAs) can be understood by considering severe lattice distortion and compositional complexity. Among the solid-solutions from Ni to quinary alloys, the NiCoFeCrMn HEA exhibits the lowest κ. However, σ{sub y} increases with increasing NPEs and decreasingmore » temperature. Thus, the NiCoFeCrMn HEA exhibits the highest σ{sub y}/κ ratio, higher than those of representative cryogenic alloys, which can be distinctively increased with a decrease in temperature. These results would give us a guideline on how to manipulate properties using HEA design concept in order to develop idealized cryogenic materials.« less

Stability of dust ion acoustic solitary waves in a collisionless unmagnetized nonthermal plasma in presence of isothermal positrons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sardar, Sankirtan; Bandyopadhyay, Anup, E-mail: abandyopadhyay1965@gmail.com; Das, K. P.

A three-dimensional KP (Kadomtsev Petviashvili) equation is derived here describing the propagation of weakly nonlinear and weakly dispersive dust ion acoustic wave in a collisionless unmagnetized plasma consisting of warm adiabatic ions, static negatively charged dust grains, nonthermal electrons, and isothermal positrons. When the coefficient of the nonlinear term of the KP-equation vanishes an appropriate modified KP (MKP) equation describing the propagation of dust ion acoustic wave is derived. Again when the coefficient of the nonlinear term of this MKP equation vanishes, a further modified KP equation is derived. Finally, the stability of the solitary wave solutions of the KPmore » and the different modified KP equations are investigated by the small-k perturbation expansion method of Rowlands and Infeld [J. Plasma Phys. 3, 567 (1969); 8, 105 (1972); 10, 293 (1973); 33, 171 (1985); 41, 139 (1989); Sov. Phys. - JETP 38, 494 (1974)] at the lowest order of k, where k is the wave number of a long-wavelength plane-wave perturbation. The solitary wave solutions of the different evolution equations are found to be stable at this order.« less

Topological transitions in unidirectional flow of nematic liquid crystal

NASA Astrophysics Data System (ADS)

Cummings, Linda; Anderson, Thomas; Mema, Ensela; Kondic, Lou

2015-11-01

Recent experiments by Sengupta et al. (Phys. Rev. Lett. 2013) revealed interesting transitions that can occur in flow of nematic liquid crystal under carefully controlled conditions within a long microfluidic channel of rectangular cross-section, with homeotropic anchoring at the walls. At low flow rates the director field of the nematic adopts a configuration that is dominated by the surface anchoring, being nearly parallel to the channel height direction over most of the cross-section; but at high flow rates there is a transition to a flow-dominated state, where the director configuration at the channel centerline is aligned with the flow (perpendicular to the channel height direction). We analyze simple channel-flow solutions to the Leslie-Ericksen model for nematics. We demonstrate that two solutions exist, at all flow rates, but that there is a transition between the elastic free energies of these solutions: the anchoring-dominated solution has the lowest energy at low flow rates, and the flow-dominated solution has lowest energy at high flow rates. NSF DMS 1211713.

Assessment of Service Quality in Teaching Hospitals of Yazd University of Medical Sciences: Using Multi-criteria Decision Making Techniques.

PubMed

Shafii, Milad; Rafiei, Sima; Abooee, Fatemeh; Bahrami, Mohammad Amin; Nouhi, Mojtaba; Lotfi, Farhad; Khanjankhani, Khatere

2016-08-01

Hospitals as integrated parts of the wide-ranging health care systems have dominant focus on health care provision to meet, maintain and promote people's health needs of a community. This study aimed to assess the service quality of teaching hospitals of Yazd University of Medical Sciences using Fuzzy Analytical Hierarchy Process (FAHP) and Technique for Order Preference by Similarity to Ideal Solution (TOPSIS). A literature review and a qualitative method were used to obtain experts' viewpoints about the quality dimensions of hospital services to design a questionnaire. Then, using a self-made questionnaire, perceptions of 300 patients about the quality of delivered services were gathered. Finally, FAHP was applied to weigh each quality dimension and TOPSIS method to rank hospital wards. Six dimensions including responsiveness, assurance, security, tangibles, health communication and Patient orientation were identified as affecting aspects of hospital services quality among which, security and tangibles got the highest and lowest importance respectively (0.25406, 0.06883). Findings also revealed that in hospital A, orthopedics and ophthalmology wards obtained the highest score in terms of quality while cardiology department got the lowest ranking (0.954, 0.323). In hospital B, the highest and the lowest ranking was belonged to cardiology and surgical wards (0.895, 0.00) while in hospital C, surgical units were rated higher than internal wards (0.959, 0.851). Findings emphasized that the security dimension got the lowest ranking among SERVQUAL facets in studied hospitals. This requires hospital executives to pay special attention to the issue of patients' security and plan effectively for its promotion.

The antimicrobial sensitivity of Streptococcus mutans and Streptococcus sangius to colloidal solutions of different nanoparticles applied as mouthwashes

PubMed Central

Ahrari, Farzaneh; Eslami, Neda; Rajabi, Omid; Ghazvini, Kiarash; Barati, Sahar

2015-01-01

Background: Metal nanoparticles have been recently applied in dentistry because of their antibacterial properties. This study aimed to evaluate antibacterial effects of colloidal solutions containing zinc oxide (ZnO), copper oxide (CuO), titanium dioxide (TiO2) and silver (Ag) nanoparticles on Streptococcus mutans and Streptococcus sangius and compare the results with those of chlorhexidine and sodium fluoride mouthrinses. Materials and Methods: After adding nanoparticles to a water-based solution, six groups were prepared. Groups I to IV included colloidal solutions containing nanoZnO, nanoCuO, nanoTiO2 and nanoAg, respectively. Groups V and VI consisted of 2.0% sodium fluoride and 0.2% chlorhexidine mouthwashes, respectively as controls. We used serial dilution method to find minimum inhibitory concentrations (MICs) and with subcultures obtained minimum bactericidal concentrations (MBCs) of the solutions against S. mutans and S. sangius. The data were analyzed by analysis of variance and Duncan test and P < 0.05 was considered as significant. Results: The sodium fluoride mouthrinse did not show any antibacterial effect. The nanoTiO2-containing solution had the lowest MIC against both microorganisms and also displayed the lowest MBC against S. mutans (P < 0.05). The colloidal solutions containing nanoTiO2 and nanoZnO showed the lowest MBC against S. sangius (P < 0.05). On the other hand, chlorhexidine showed the highest MIC and MBC against both streptococci (P < 0.05). Conclusion: The nanoTiO2-containing mouthwash proved to be an effective antimicrobial agent and thus it can be considered as an alternative to chlorhexidine or sodium fluoride mouthrinses in the oral cavity provided the lack of cytotoxic and genotoxic effects on biologic tissues. PMID:25709674

Constraint Optimization Problem For The Cutting Of A Cobalt Chrome Refractory Material

NASA Astrophysics Data System (ADS)

Lebaal, Nadhir; Schlegel, Daniel; Folea, Milena

2011-05-01

This paper shows a complete approach to solve a given problem, from the experimentation to the optimization of different cutting parameters. In response to an industrial problem of slotting FSX 414, a Cobalt-based refractory material, we have implemented a design of experiment to determine the most influent parameters on the tool life, the surface roughness and the cutting forces. After theses trials, an optimization approach has been implemented to find the lowest manufacturing cost while respecting the roughness constraints and cutting force limitation constraints. The optimization approach is based on the Response Surface Method (RSM) using the Sequential Quadratic programming algorithm (SQP) for a constrained problem. To avoid a local optimum and to obtain an accurate solution at low cost, an efficient strategy, which allows improving the RSM accuracy in the vicinity of the global optimum, is presented. With these models and these trials, we could apply and compare our optimization methods in order to get the lowest cost for the best quality, i.e. a satisfying surface roughness and limited cutting forces.

Gross-Pitaevski map as a chaotic dynamical system.

PubMed

Guarneri, Italo

2017-03-01

The Gross-Pitaevski map is a discrete time, split-operator version of the Gross-Pitaevski dynamics in the circle, for which exponential instability has been recently reported. Here it is studied as a classical dynamical system in its own right. A systematic analysis of Lyapunov exponents exposes strongly chaotic behavior. Exponential growth of energy is then shown to be a direct consequence of rotational invariance and for stationary solutions the full spectrum of Lyapunov exponents is analytically computed. The present analysis includes the "resonant" case, when the free rotation period is commensurate to 2π, and the map has countably many constants of the motion. Except for lowest-order resonances, this case exhibits an integrable-chaotic transition.

Antimicrobial liquid formulations: a blind taste comparison of three brands of penicillin VK and three brands of amoxicillin.

PubMed

Chan, D S; Demers, D M; Bass, J W

1996-02-01

To rate the perception of taste, texture, smell and aftertaste of various brands of penicillin VK and amoxicillin. Oral, liquid formulations of three brands of penicillin VK (PenVee K, V-Cillin-K, VeeTids) and three brands of amoxicillin (Amoxil, Trimox, Wymox) were evaluated for smell, texture, taste, and aftertaste by 30 volunteers in a blind study. Each category was scored on a scale of 1 to 5. The order in which the drugs were sampled was randomized for the first three groups of five participants. The order then was reversed for the remaining three groups of participants. A 537-bed US Army teaching hospital. Participants included 30 healthy adult volunteers from the Departments of Pediatrics, Nursing, and Pharmacy. Drugs received cumulative scores in each category, as well as an overall total score ranking. The data were analyzed using one-way ANOVA for repeated measures with a post hoc Duncan's multiple range test to determine significant differences between individual means. Overall, Trimox and Amoxil scored significantly higher than the remaining drugs. Although V-Cillin-K scored highest in the smell category, its score was significantly below those of Trimox and Amoxil in the texture, taste, aftertaste, and overall categories. Overall, the three penicillin VK solutions scored lower than the three amoxicillin suspensions, with PenVee K ranking the lowest. Among the penicillin VK solutions, V-Cillin-K scored significantly higher overall than the other two penicillin VK solutions. Overall, all three amoxicillin oral, liquid suspensions that were studied scored significantly better than the three penicillin VK solutions.

Resource-Aware Mobile-Based Health Monitoring.

PubMed

Masud, Mohammad M; Adel Serhani, Mohamed; Navaz, Alramzana Nujum

2017-03-01

Monitoring heart diseases often requires frequent measurements of electrocardiogram (ECG) signals at different periods of the day, and at different situations (e.g., traveling, and exercising). This can only be implemented using mobile devices in order to cope with mobility of patients under monitoring, thus supporting continuous monitoring practices. However, these devices are energy-aware, have limited computing resources (e.g., CPU speed and memory), and might lose network connectivity, which makes it very challenging to maintain a continuity of the monitoring episode. In this paper, we propose a mobile monitoring solution to cope with these challenges by compromising on the fly resources availability, battery level, and network intermittence. In order to solve this problem, first we divide the whole process into several subtasks such that each subtask can be executed sequentially either in the server or in the mobile or in parallel in both devices. Then, we developed a mathematical model that considers all the constraints and finds a dynamic programing solution to obtain the best execution path (i.e., which substep should be done where). The solution guarantees an optimum execution time, while considering device battery availability, execution and transmission time, and network availability. We conducted a series of experiments to evaluate our proposed approach using some key monitoring tasks starting from preprocessing to classification and prediction. The results we have obtained proved that our approach gives the best (lowest) running time for any combination of factors including processing speed, input size, and network bandwidth. Compared to several greedy but nonoptimal solutions, the execution time of our approach was at least 10 times faster and consumed 90% less energy.

Corrosion of carbon steels, stainless steels, and titanium in aqueous lithium bromide solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guinon, J.L.; Garcia-Anton, J.; Perez-Herranz, V.

1994-03-01

Effects of lithium bromide (LiBr) concentration, pH, temperature, exposure time, and the action of some inhibitors on corrosion of several carbon (C) steels, stainless steels (SS), and a titanium (Ti) alloy were studied. Corrosion rates were determined by the polarization resistance method and compared to rates determined by weight-loss measurements. Pitting potentials (E[sub p]) were evaluated in neutral LiBr solution and with different inhibitors. Pit density and average pit depth depended on the metal tested, with lowest values for Ti, the next lowest values for type 316 SS (UNS S31600), and the highest values for UNS G41350 tempered steel.

Electronic spectra and photophysics of platinum(II) complexes with alpha-diimine ligands - Solid-state effects. I - Monomers and ligand pi dimers

NASA Technical Reports Server (NTRS)

Miskowski, Vincent M.; Houlding, Virginia H.

1989-01-01

Two types of emission behavior for Pt(II) complexes containing alpha-diimine ligands have been observed in dilute solution. If the complex also has weak field ligands such as chloride, ligand field (d-d) excited states become the lowest energy excited states. If only strong field ligands are present, a diimine 3(pi-pi/asterisk/) state becomes the lowest. In none of the cases studied did metal-to-ligand charge transfer excited state lie lowest.

Influence of soil organic matter composition on the partition of organic compounds

USGS Publications Warehouse

Rutherford, D.W.; Chiou, C.T.; Klle, D.E.

1992-01-01

The sorption at room temperature of benzene and carbon tetrachloride from water on three high-organic-content soils (muck, peat, and extracted peat) and on cellulose was determined in order to evaluate the effect of sorbent polarity on the solute partition coefficients. The isotherms are highly linear for both solutes on all the organic matter samples, which is consistent with a partition model. For both solutes, the extracted peat shows the greatest sorption capacity while the cellulose shows the lowest capacity; the difference correlates with the polar-to-nonpolar group ratio [(O + N)/C] of the sorbent samples. The relative increase of solute partition coefficient (Kom) with a decrease of sample polar content is similar for both solutes, and the limiting sorption capacity on a given organic matter sample is comparable between the solutes. This observation suggests that one can estimate the polarity effect of a sample of soil organic matter (SOM) on Kom of various nonpolar solutes by determining the partition coefficient of single nonpolar solute when compositional analysis of the SOM is not available. The observed dependence of Kom on sample polarity is used to account for the variation of Kom values of individual compounds on different soils that results from change in the polar group content of SOM. On the assumption that the carbon content of SOM in "ordinary soils" is 53-63%, the calculated variation of Kom is a factor of ???3. This value is in agreement with the limit of variation of most Kom data with soils of relatively high SOM contents.

Synthesis, characterization, and spectroscopic investigation of benzoxazole conjugated Schiff bases.

PubMed

Santos, Fabiano S; Costa, Tania M H; Stefani, Valter; Gonçalves, Paulo F B; Descalzo, Rodrigo R; Benvenutti, Edilson V; Rodembusch, Fabiano S

2011-11-24

Two Schiff bases were synthesized by reaction of 2-(4'-aminophenyl)benzoxazole derivatives with 4-N,N-diethylaminobenzaldehyde. UV-visible (UV-vis) and steady-state fluorescence in solution were applied in order to characterize its photophysical behavior. The Schiff bases present absorption in the UV region with fluorescence emission in the blue-green region, with a large Stokes' shift. The UV-vis data indicates that each dye behaves as two different chromophores in solution in the ground state. The fluorescence emission spectra of the dye 5a show that an intramolecular proton transfer (ESIPT) mechanism takes place in the excited state, whereas a twisted internal charge transfer (TICT) state is observed for the dye 5b. Theoretical calculations were performed in order to study the conformation and polarity of the molecules at their ground and excited electronic states. Using density functional theory (DFT) methods at theoretical levels BLYP/Aug-SV(P) for geometry optimizations and B3LYP/6-311++G(2d,p) for single-point energy evaluations, the calculations indicate that the lowest energy conformations are in all cases nonplanar and that the dipole moments of the excited state relaxed structures are much larger than those of the ground state structures, which corroborates the experimental UV-vis absorption results.

Single-Mode Propagation in Optical Waveguides and Fibres: A Critical Review of its Treatment in Physics Textbooks

ERIC Educational Resources Information Center

Ruddock, Ivan S.

2009-01-01

The derivation and description of the modes in optical waveguides and fibres are reviewed. The version frequently found in undergraduate textbooks is shown to be incorrect and misleading due to the assumption of an axial ray of light corresponding to the lowest order mode. It is pointed out that even the lowest order must still be represented in…

Collaborative Robots and Knowledge Management - A Short Review

NASA Astrophysics Data System (ADS)

Mușat, Flaviu-Constantin; Mihu, Florin-Constantin

2017-12-01

Because the requirements of the customers are more and more high related to quality, quantity, delivery times at lowest costs possible, the industry had to come with automated solutions to improve these requirements. Starting from the automated lines developed by Ford and Toyota, we have now developed automated and self-sustained working lines, which is possible nowadays-using collaborative robots. By using the knowledge management system we can improve the development of the future of this kind of area of research. This paper shows the benefits and the smartness use of the robots that are performing the manipulation activities that increases the work place ergonomically and improve the interaction between human - machine in order to assist in parallel tasks and lowering the physically human efforts.

Assessment of safety culture among job positions in high-rise construction: a hybrid fuzzy multi criteria decision-making (FMCDM) approach.

PubMed

Ardeshir, A; Mohajeri, M

2018-06-01

The construction industry is known as one of the most dangerous industries, which not only requires sound operation of executive laws and regulations, but also necessitates the safety culture of all workers at workshops. Therefore, the aim of this research is to identify the factors of safety culture and ranking occupations in jobsites based on those factors in order to proactively improve the safety culture of construction projects and subsequently promote safety conditions and worksites. In this study, safety culture criteria are weighted by a combination of Fuzzy Decision Trail and Evaluation Laboratory and Fuzzy ANP methods. Next, different job positions in high-rise projects are ranked using the Fuzzy Technique for Order of Preference by Similarity to Ideal Solution method. Findings demonstrated that the project manager, site superintendent and supervisor occupations had the highest and labourers had the lowest level of safety culture in the high-rise construction industry. Furthermore, factors such as safety supervision and training must be considered more seriously in order to create a positive safety culture among workers.

Control of silicification by genetically engineered fusion proteins: silk-silica binding peptides.

PubMed

Zhou, Shun; Huang, Wenwen; Belton, David J; Simmons, Leo O; Perry, Carole C; Wang, Xiaoqin; Kaplan, David L

2015-03-01

In the present study, an artificial spider silk gene, 6mer, derived from the consensus sequence of Nephila clavipes dragline silk gene, was fused with different silica-binding peptides (SiBPs), A1, A3 and R5, to study the impact of the fusion protein sequence chemistry on silica formation and the ability to generate a silk-silica composite in two different bioinspired silicification systems: solution-solution and solution-solid. Condensed silica nanoscale particles (600-800 nm) were formed in the presence of the recombinant silk and chimeras, which were smaller than those formed by 15mer-SiBP chimeras, revealing that the molecular weight of the silk domain correlated to the sizes of the condensed silica particles in the solution system. In addition, the chimeras (6mer-A1/A3/R5) produced smaller condensed silica particles than the control (6mer), revealing that the silica particle size formed in the solution system is controlled by the size of protein assemblies in solution. In the solution-solid interface system, silicification reactions were performed on the surface of films fabricated from the recombinant silk proteins and chimeras and then treated to induce β-sheet formation. A higher density of condensed silica formed on the films containing the lowest β-sheet content while the films with the highest β-sheet content precipitated the lowest density of silica, revealing an inverse correlation between the β-sheet secondary structure and the silica content formed on the films. Intriguingly, the 6mer-A3 showed the highest rate of silica condensation but the lowest density of silica deposition on the films, compared with 6mer-A1 and -R5, revealing antagonistic crosstalk between the silk and the SiBP domains in terms of protein assembly. These findings offer a path forward in the tailoring of biopolymer-silica composites for biomaterial related needs. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Efflux Of Nitrate From Hydroponically Grown Wheat

NASA Technical Reports Server (NTRS)

Huffaker, R. C.; Aslam, M.; Ward, M. R.

1992-01-01

Report describes experiments to measure influx, and efflux of nitrate from hydroponically grown wheat seedlings. Ratio between efflux and influx greater in darkness than in light; increased with concentration of nitrate in nutrient solution. On basis of experiments, authors suggest nutrient solution optimized at lowest possible concentration of nitrate.

Use of the reciprocity theorem for a closed form solution of scattering of the lowest axially symmetric torsional wave mode by a defect in a pipe.

PubMed

Lee, Jaesun; Achenbach, Jan D; Cho, Younho

2018-03-01

Guided waves can effectively be used for inspection of large scale structures. Surface corrosion is often found as major defect type in large scale structures such as pipelines. Guided wave interaction with surface corrosion can provide useful information for sizing and classification. In this paper, the elastodynamic reciprocity theorem is used to formulate and solve complicated scattering problems in a simple manner. The approach has already been applied to scattering of Rayleigh and Lamb waves by defects to produce closed form solutions of amplitude of scattered waves. In this paper, the scattering of the lowest axially symmetric torsional mode, which is widely used in commercial applications, is analyzed by the reciprocity theorem. In the present paper, the theorem is used to determine the scattering of the lowest torsional mode by a tapered defect that was earlier considered experimentally and numerically by the finite element method. It is shown that by the presented method it is simple to obtain the ratio of amplitudes of scattered torsional modes for a tapered notch. The results show a good agreement with earlier numerical results. The wave field superposition technique in conjunction with the reciprocity theorem simplifies the solution of the scattering problem to yield a closed form solution which can play a significant role in quantitative signal interpretation. Copyright © 2017 Elsevier B.V. All rights reserved.

Heat and solute tracers: how do they compare in heterogeneous aquifers?

PubMed

Irvine, Dylan J; Simmons, Craig T; Werner, Adrian D; Graf, Thomas

2015-04-01

A comparison of groundwater velocity in heterogeneous aquifers estimated from hydraulic methods, heat and solute tracers was made using numerical simulations. Aquifer heterogeneity was described by geostatistical properties of the Borden, Cape Cod, North Bay, and MADE aquifers. Both heat and solute tracers displayed little systematic under- or over-estimation in velocity relative to a hydraulic control. The worst cases were under-estimates of 6.63% for solute and 2.13% for the heat tracer. Both under- and over-estimation of velocity from the heat tracer relative to the solute tracer occurred. Differences between the estimates from the tracer methods increased as the mean velocity decreased, owing to differences in rates of molecular diffusion and thermal conduction. The variance in estimated velocity using all methods increased as the variance in log-hydraulic conductivity (K) and correlation length scales increased. The variance in velocity for each scenario was remarkably small when compared to σ2 ln(K) for all methods tested. The largest variability identified was for the solute tracer where 95% of velocity estimates ranged by a factor of 19 in simulations where 95% of the K values varied by almost four orders of magnitude. For the same K-fields, this range was a factor of 11 for the heat tracer. The variance in estimated velocity was always lowest when using heat as a tracer. The study results suggest that a solute tracer will provide more understanding about the variance in velocity caused by aquifer heterogeneity and a heat tracer provides a better approximation of the mean velocity. © 2013, National Ground Water Association.

Does diurnal variation in cough reflex testing exist in healthy young adults?

PubMed

Perry, Sarah; Huckabee, Maggie-Lee

2017-05-01

The aim of this study was to investigate whether diurnal variation in cough reflex sensitivity exists in healthy young adults when a tidal-breathing method is used. Fifty-three participants (19-37 years) underwent cough reflex testing on two occasions: once in the morning (between 9 am - midday) and once in the afternoon (between 2-5 pm). The order of testing was counter-balanced. Within each assessment, participants inhaled successively higher citric acid concentrations via a facemask, with saline solution randomly interspersed to control for a placebo response. The lowest concentration that elicited a reflexive cough response was recorded. Morning cough thresholds (mean=0.6mol/L) were not different from afternoon cough thresholds (mean=0.6mol/L), p=0.16, T=101, r=-0.14. We found no evidence of diurnal variability in cough reflex testing. There was, however, an order effect irrespective of time of day, confirming that healthy participants are able to volitionally modulate their cough response. Copyright © 2017 Elsevier B.V. All rights reserved.

NIMROD modeling of poloidal flow damping in tokamaks using kinetic closures

NASA Astrophysics Data System (ADS)

Jepson, J. R.; Hegna, C. C.; Held, E. D.

2017-10-01

Calculations of poloidal flow damping in a tokamak are undertaken using two different implementations of the ion drift kinetic equation (DKE) in the extended MHD code NIMROD. The first approach is hybrid fluid/kinetic and uses a Chapman Enskog-like (CEL) Ansatz. Closure of the evolving lower-order fluid moment equations for n, V , and T is provided by solutions to the ion CEL-DKE written in the macroscopic flow reference frame. The second implementation solves the DKE using a delta-f approach. Here, the delta-f distribution describes all of the information beyond a static, lowest-order Maxwellian. We compare the efficiency and accuracy of these two approaches for a simple initial value problem that monitors the relaxation of the poloidal flow profile in high- and low-aspect-ratio tokamak geometry. The computation results are compared against analytic predictions of time dependent closures for the parallel viscous force. Supported by DoE Grants DE-FG02-86ER53218 and DE-FG02-04ER54746.

Temperature Compensation of Aluminum Nitride Lamb Wave Resonators Utilizing the Lowest-Order Symmetric Mode

DTIC Science & Technology

2012-12-14

PZT ceramic plate [40]. Since then Lamb wave devices utilizing the lowest-order antisymmetric (A0) mode propagation in ZnO thin plate were widely...Million Pt Platinum PVDF Polyvinylidene Flouride PZT Lead Zirconium Titanate Q Quality Factor R Resistor RIE Reactive Ion Etching Rm Motional...GaAs), silicon carbide (SiC), langasite (LGS), lead zirconium titanate ( PZT ), and polyvinylidene flouride (PVDF). Each piezoelectric material has

Standard state thermodynamic properties of completely ionized aqueous sodium sulfate using high dilution calorimetry up to 598.15 K.

PubMed

Djamali, Essmaiil; Chen, Keith; Cobble, James W

2009-08-27

Pabalan and Pitzer (Geochim. Cosmochim. Acta 1988, 52, 2393-2404) reported a comprehensive set of thermodynamic properties of aqueous solutions of sodium sulfate without using ion association or hydrolysis. However, there is now ample evidence available indicating that the ion association cannot be ignored at temperatures T>or=373 K. For example, even at the lowest concentration of their studies (m>or=0.05) and at 573.15 K, less than 20% of SO4(2-)(aq) is available as free ions. In the present study, the integral heats of solution of sodium sulfate were measured to very low concentrations (10(-4) m) up to 573.16 K. The data were analyzed correcting for the hydrolysis of SO4(2-)(aq) and the association of Na+(aq) with SO4(2-)(aq) and NaSO4-(aq) in order to obtain the final standard state thermodynamic properties of completely ionized aqueous sodium sulfate, Na2SO4(aq). From these and the available solubility data, the stoichiometric activity coefficients of saturated aqueous solutions of sodium sulfate were calculated up to 573.15 K and compared with literature data. The stoichiometric activity coefficients of aqueous solutions of sodium sulfate, as a function of temperature at all concentrations (0

Catheter port cleansing techniques and the entry of povidone-iodine into the epidural space.

PubMed

Paice, J A; DuPen, A; Schwertz, D

1999-04-01

To determine whether three epidural catheter port cleansing techniques used to apply a povidone-iodine solution differed with respect to the introduction of this solution through the epidural catheter. Experimental. Laboratory. Five DuPen (Davol, Cranston, RI) epidural catheters. Five DuPen epidural catheters each were cleansed twice with (a) a commercially available 10% povidone-iodine swabstick, (b) a commercially available pledget impregnated with 10% povidone-iodine, and (c) a gauze pad saturated with 10% povidone-iodine. The order of cleansing was randomized. Each solution was used to clean the port for 30 seconds, and the port was allowed to dry for 30 seconds, similar to the technique used in the clinical setting. After cleaning the catheter port, water was injected through the catheter, and the solution from the tip of the catheter was analyzed using absorbance spectrophotometry. Cleansing techniques, presence of povidone-iodine in catheter. A statistically significant difference existed between the three cleansing techniques, with the pledget yielding the lowest values of povidone-iodine contamination of the epidural catheter (Freidman test, p = 0.02). Use of pledgets allowed the least amount of povidone-iodine to enter the epidural catheter as compared with the swabsticks or gauze pads. Commercially available pledgets used to cleanse catheter injection ports may limit the introduction of 10% povidone-iodine into the epidural or intrathecal space.

Carrier tests to assess the effective sporicidal concentration of a liquid chemical disinfectant for a sanitization program.

PubMed

Ceccanti, Stefano; Giampieri, Simona; Burgalassi, Susi

2011-01-01

The aim of the present investigation was to evaluate the microbial efficacy against highly resistant bacterial spores on different substrates using the lowest effective concentration of a market liquid sporicide based on peracetic acid. The validation was carried out following modified European regulatory agencies procedures or test methods and USP guidelines, employing carriers of materials usually treated with the sporicidal solution and present in grade A cleanrooms and spores of four different microorganisms: Bacillus subtilis and Clostridium sporogenes, both from the ATCC collection, and Bacillus cereus and Bacillus sphaericus as environmental isolates. A statistical evaluation of data was made to estimate the variance for different study conditions. The experiments highlighted that 70% suitable dilution of the ready-to-use peracetic acid solution was effective in both clean and dirty conditions, showing at least 2 log spore reduction after treatment. To obtain effective sporicidal action on the surfaces in cleanrooms it is sufficient to use a sporicidal solution with a ready-to-use concentration of 70% while ensuring a contact time of 10 min. In any case, the reduction of sporicide concentration ensures a high degree of disinfection and provides a consumption savings. Wide-spectrum disinfectants are used in the pharmaceutical industry for the decontamination of work surfaces and equipment, but these products have some degree of toxicity for operators. This work arises from the needs of pharmaceutical companies to find the lowest effective concentration of sanitizers in order to reduce toxicity to personnel. The sanitizer used in the study was a market liquid sporicide based on peracetic acid. When we started our work no similar studies were reported in the literature, so we took European regulatory agencies and USP guidelines as a starting point, employing carriers of hard, non-porous materials usually treated with the sporicidal solution and present in sterile rooms and spores of four different microorganisms. The experiments highlighted that it is sufficient to use a 70% sporicidal solution concentration with a contact time of 10 min to reduce the number of spores to acceptable values for medicinal production. The reduction of sporicide concentration both ensures a high degree of disinfection and provides a safer working environment and consumption savings.

Photophysical properties of ortho-metalated monomeric and dimeric complexes containing rhodium(III) and iridium(III) metal centers

NASA Astrophysics Data System (ADS)

Marshall, Jason Alexander

Photophysical properties of dichloro-bridged dimers and monomeric tris complexes of the type [M(NC)2Cl]2 and M(NC)3, where NC refers to the ortho-metalating ligands 2-phenylpyridine (ppy), benzo[h]quinoline (bzq), or 2-(p-tolyl)pyridine (ptpy) and M is Rh(III) or Ir(III), were investigated. Excited-state emission of Rh(III) complexes are highly structured and independent of temperature from 4--100 K in glassy media, with long lifetimes (102 mus to ms). Emission is not observed from the pale yellow, fluid solutions of Rh(III) complexes at room temperature. Below 7K, decay kinetics are sensitive to temperature and are complicated, requiring multi-exponential fits in 4:1 EtOH/MeOH. The spectroscopic properties are consistent with the assignment of a lowest 3pipi* excited-state manifold perturbed by an admixture of higher-lying states possessing strong spin-orbit interactions. The complicated decays are attributed to spin-relaxation-limited behavior between spin-levels in the 3pipi* manifold. Deep yellow solutions of Ir(III) complexes in 4:1 EtOH/MeOH are observed to emit in both glassy media and in fluid solution, displaying severe changes in spectral shape as the glass softens which are not attributable to rigidochromic shifts. Low-temperature spectra are structured with emission origins in the range 496--520 nm whereas room-temperature emission of complexes in fluid solution are characteristically broad structureless bands with maxima redshifted from spectra measured in rigid media. Both the emission and the excited-state lifetimes display temperature dependence, with lifetimes in the microsecond to tens of microseconds range at 77 K, increasing by more than an order of magnitude as the temperature is decreased to 4 K. Each of these characteristic band shapes arises from separate components of the emission which have been time-resolved from the low-temperature spectrum. A long-lived, structured component of the emission, only observed in rigid media, has been assigned as 3pipi*. The spectroscopic properties of the short-lived component, observed in the time-resolved low-temperature emission spectrum and in the room-temperature fluid-solution emission spectrum, are consistent with a lowest 3MLCT excited state manifold.

Solute-Solvent Charge-Transfer Excitations and Optical Absorption of Hydrated Hydroxide from Time-Dependent Density-Functional Theory.

PubMed

Opalka, Daniel; Sprik, Michiel

2014-06-10

The electronic structure of simple hydrated ions represents one of the most challenging problems in electronic-structure theory. Spectroscopic experiments identified the lowest excited state of the solvated hydroxide as a charge-transfer-to-solvent (CTTS) state. In the present work we report computations of the absorption spectrum of the solvated hydroxide ion, treating both solvent and solute strictly at the same level of theory. The average absorption spectrum up to 25 eV has been computed for samples taken from periodic ab initio molecular dynamics simulations. The experimentally observed CTTS state near the onset of the absorption threshold has been analyzed at the generalized-gradient approximation (GGA) and with a hybrid density-functional. Based on results for the lowest excitation energies computed with the HSE hybrid functional and a Davidson diagonalization scheme, the CTTS transition has been found 0.6 eV below the first absorption band of liquid water. The transfer of an electron to the solvent can be assigned to an excitation from the solute 2pπ orbitals, which are subject to a small energetic splitting due to the asymmetric solvent environment, to the significantly delocalized lowest unoccupied orbital of the solvent. The distribution of the centers of the excited state shows that CTTS along the OH(-) axis of the hydroxide ion is avoided. Furthermore, our simulations indicate that the systematic error arising in the calculated spectrum at the GGA originates from a poor description of the valence band energies in the solution.

The Nature of the Intramolecular Charge Transfer State in Peridinin

PubMed Central

Wagner, Nicole L.; Greco, Jordan A.; Enriquez, Miriam M.; Frank, Harry A.; Birge, Robert R.

2013-01-01

Experimental and theoretical evidence is presented that supports the theory that the intramolecular charge transfer (ICT) state of peridinin is an evolved state formed via excited-state bond-order reversal and solvent reorganization in polar media. The ICT state evolves in <100 fs and is characterized by a large dipole moment (∼35 D). The charge transfer character involves a shift of electron density within the polyene chain, and it does not involve participation of molecular orbitals localized in either of the β-rings. Charge is moved from the allenic side of the polyene into the furanic ring region and is accompanied by bond-order reversal in the central portion of the polyene chain. The electronic properties of the ICT state are generated via mixing of the “11Bu+” ionic state and the lowest-lying “21Ag–” covalent state. The resulting ICT state is primarily 1Bu+-like in character and exhibits not only a large oscillator strength but an unusually large doubly excited character. In most solvents, two populations exist in equilibrium, one with a lowest-lying ICT ionic state and a second with a lowest-lying “21Ag–” covalent state. The two populations are separated by a small barrier associated with solvent relaxation and cavity formation. PMID:23528091

Iron removal on feldspar by using Averrhoa bilimbii as bioleaching agent

NASA Astrophysics Data System (ADS)

Amin, Muhammad; Aji, Bramantyo B.; Supriyatna, Yayat Iman; Bahfie, Fathan

2017-01-01

Investigation of Averrhoa bilimbii as bioleaching agent was carried out. Parameters of leaching duration, acid concentration, and temperature were performed in iron removal process. Feldspar with sized 149 µm was diluted in 30 ml acid solution in order to reduce its iron content. The experimental results showed a good technical feasibility of the process which iron oxide content of feldspar was decreased from 2.24% to 0.29%. The lowest iron concentration remained was obtained after 5 hours of leaching treatment at 60 °C, and concentrated (100 vol%) Averrhoa bilimbii extract as bioleaching agent. SEM characterizations were carried out on the feldspar before and after the leaching treatment. The result shows that there were no significant effect of leaching process on the ore morphology.

N-representability of the Jastrow wave function pair density of the lowest-order.

PubMed

Higuchi, Katsuhiko; Higuchi, Masahiko

2017-08-08

Conditions for the N-representability of the pair density (PD) are needed for the development of the PD functional theory. We derive sufficient conditions for the N-representability of the PD that is calculated from the Jastrow wave function within the lowest order. These conditions are used as the constraints on the correlation function of the Jastrow wave function. A concrete procedure to search the suitable correlation function is also presented.

Multistrange Meson-Baryon Dynamics and Resonance Generation

NASA Astrophysics Data System (ADS)

Khemchandani, K. P.; Martínez Torres, A.; Hosaka, A.; Nagahiro, H.; Navarra, F. S.; Nielsen, M.

2018-05-01

In this talk I review our recent studies on meson-baryon systems with strangeness - 1 and - 2. The motivation of our works is to find resonances generated as a consequence of coupled channel meson-baryon interactions. The coupled channels are all meson-baryon systems formed by combining a pseudoscalar or a vector meson with an octet baryon such that the system has the strange quantum number equal to - 1 or - 2. The lowest order meson-baryon interaction amplitudes are obtained from Lagrangians based on the chiral and the hidden local symmetries related to the vector mesons working as the gauge bosons. These lowest order amplitudes are used as an input to solve the Bethe-Salpeter equation and a search for poles is made in the resulting amplitudes, in the complex plane. In case of systems with strangeness - 1, we find evidence for the existence of some hyperons such as: Λ(2000), Σ(1750), Σ(1940), Σ(2000). More recently, in the study of strangeness - 2 systems we have found two narrow resonances which can be related to Ξ (1690) and Ξ(2120). In this latter work, we have obtained the lowest order amplitudes relativistically as well as in the nonrelativistic approximation to solve the scattering equations. We find that the existence of the poles in the complex plane does not get affected by the computation of the scattering equation with the lowest order amplitudes obtained in the nonrelativistic approximation.

Dynamic equations for an isotropic spherical shell using the power series method and surface differential operators

NASA Astrophysics Data System (ADS)

Okhovat, Reza; Boström, Anders

2017-04-01

Dynamic equations for an isotropic spherical shell are derived by using a series expansion technique. The displacement field is split into a scalar (radial) part and a vector (tangential) part. Surface differential operators are introduced to decrease the length of all equations. The starting point is a power series expansion of the displacement components in the thickness coordinate relative to the mid-surface of the shell. By using the expansions of the displacement components, the three-dimensional elastodynamic equations yield a set of recursion relations among the expansion functions that can be used to eliminate all but the four of lowest order and to express higher order expansion functions in terms of those of lowest orders. Applying the boundary conditions on the surfaces of the spherical shell and eliminating all but the four lowest order expansion functions give the shell equations as a power series in the shell thickness. After lengthy manipulations, the final four shell equations are obtained in a relatively compact form which are given to second order in shell thickness explicitly. The eigenfrequencies are compared to exact three-dimensional theory with excellent agreement and to membrane theory.

Solvent effects on the absorption spectrum and first hyperpolarizability of keto-enol tautomeric forms of anil derivatives: A Monte Carlo/quantum mechanics study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adriano Junior, L.; Fonseca, T. L.; Castro, M. A.

2016-06-21

Theoretical results for the absorption spectrum and electric properties of the enol and keto tautomeric forms of anil derivatives in the gas-phase and in solution are presented. The electronic properties in chloroform, acetonitrile, methanol, and water were determined by carrying out sequential Monte Carlo simulations and quantum mechanics calculations based on the time dependent density functional theory and on the second-order Møller–Plesset perturbation theory method. The results illustrate the role played by electrostatic interactions in the electronic properties of anil derivatives in a liquid environment. There is a significant increase of the dipole moment in solution (20%-100%) relative to themore » gas-phase value. Solvent effects are mild for the absorption spectrum and linear polarizability but they can be particularly important for first hyperpolarizability. A large first hyperpolarizability contrast between the enol and keto forms is observed when absorption spectra present intense lowest-energy absorption bands. Dynamic results for the first hyperpolarizability are in qualitative agreement with the available experimental results.« less

Trajectory Design Employing Convex Optimization for Landing on Irregularly Shaped Asteroids

NASA Technical Reports Server (NTRS)

Pinson, Robin M.; Lu, Ping

2016-01-01

Mission proposals that land spacecraft on asteroids are becoming increasingly popular. However, in order to have a successful mission the spacecraft must reliably and softly land at the intended landing site with pinpoint precision. The problem under investigation is how to design a propellant optimal powered descent trajectory that can be quickly computed onboard the spacecraft, without interaction from the ground control. The propellant optimal control problem in this work is to determine the optimal finite thrust vector to land the spacecraft at a specified location, in the presence of a highly nonlinear gravity field, subject to various mission and operational constraints. The proposed solution uses convex optimization, a gravity model with higher fidelity than Newtonian, and an iterative solution process for a fixed final time problem. In addition, a second optimization method is wrapped around the convex optimization problem to determine the optimal flight time that yields the lowest propellant usage over all flight times. Gravity models designed for irregularly shaped asteroids are investigated. Success of the algorithm is demonstrated by designing powered descent trajectories for the elongated binary asteroid Castalia.

In Vitro Degradation Behaviors of Manganese-Calcium Phosphate Coatings on an Mg-Ca-Zn Alloy

PubMed Central

Su, Yichang; Su, Yingchao; Zai, Wei

2018-01-01

In order to decrease the degradation rate of magnesium (Mg) alloys for the potential orthopedic applications, manganese-calcium phosphate coatings were prepared on an Mg-Ca-Zn alloy in calcium phosphating solutions with different addition of Mn2+. Influence of Mn content on degradation behaviors of phosphate coatings in the simulated body fluid was investigated to obtain the optimum coating. With the increasing Mn addition, the corrosion resistance of the manganese-calcium phosphate coatings was gradually improved. The optimum coating prepared in solution containing 0.05 mol/L Mn2+ had a uniform and compact microstructure and was composed of MnHPO4·3H2O, CaHPO4·2H2O, and Ca3(PO4)2. The electrochemical corrosion test in simulated body fluid revealed that polarization resistance of the optimum coating is 36273 Ωcm2, which is about 11 times higher than that of phosphate coating without Mn addition. The optimum coating also showed the most stable surface structure and lowest hydrogen release in the immersion test in simulated body fluid. PMID:29643970

State variation in rates of cesarean and VBAC delivery: 1989 and 1993.

PubMed

Clarke, S C; Taffel, S M

1996-01-01

There is wide variation among states in rates of cesarean and vaginal births after cesarean (VBAC) deliveries. In general, states in the South have the highest cesarean rates, states in the West have the lowest, and states in the Northeast and Midwest are intermediate. Louisiana had the highest overall rate in 1993 (27.7 per 100 births) while Alaska had the lowest rate (15.2). The majority of states had declines in their cesarean rate between 1989 and 1993. Patterns in primary cesarean rates are similar to those of the overall rate-states in the South generally have the highest rates while states in the West have the lowest rates. Primary cesarean rates ranged between a high of 19.6 in Louisiana to a low of 10.6 in Wisconsin. In general, states with low cesarean rates have among the highest rates of VBAC delivery. Alaska had the highest VBAC rate (40.0), which was almost quadruple the rate of Louisiana (11.2), the state with the lowest rate. Most states had substantial increases in VBAC rates between 1989 and 1993. When examining cesarean rates by maternal age and birth order, states with the highest overall rates also have among the highest age/birth order-specific rates. Cesarean rates were lowest for mothers under 25 years of age having a second or higher order birth in Alaska, 10.4, and highest for mothers 35 years of age or over having a first birth in Mississippi, 51.3. Standardized cesarean rates which were adjusted for differences between states in maternal age and birth order distributions did not diminish the variation among areas.

[Gustometry usefulness for the evaluation of taste sense efficiency. Part I. The range of taste substances concentrations and the result of gustometry examination].

PubMed

Klimacka-Nawrot, Ewa; Suchecka, Wanda; Błońska-Fajfrowska, Barbara

2007-01-01

There are various methods of taste substances application in gustometry examination. The Polish Committee of Standards (Polski Komitet Normalizacyjny--PKN) recommends the performance of sensitivity taste examinations with the use of method based on rinsing out the mouth with water solutions of taste substances (sip-and-spit method) at their growing concentrations. The aim of the present research was to assess the usefulness of taste substances dilutions, whose concentrations were consistent with guidelines of the PKN for the evaluation of the results of examination of sweet, salty and sour taste sensitivity. 795 volunteers, i.e. 473 women and 322 men, aged 18-66, were the subject of study. The range of concentrations in sucrose solutions (0.34-12.00 g/l) as well as in sodium chloride solutions (0.16-2.00 g/l) were proper for examination in order to recognize taste threshold with the most volunteers. However, the use of concentrations in citric acid solutions (in the range 0.13-0.60 g/l) did not enable to investigate the taste sensitivity by reason of the large percentage of persons (85.2%) who correctly recognized the sour taste of the solution with the lowest citric acid concentration. The range of citric acid concentration (0.0036-0.2000 g/l) appeared to be more proper for examination of the sour taste sensitivity. The concentrations of sucrose and sodium chloride solutions recommended by PKN are proper for the examination of sweet and salty taste sensitivity with the use of sip-and-spit method however concentrations of citric acid solutions should be lower than recommended.

Cowpea pod (Vigna unguiculata) biomass as a low-cost biosorbent for removal of Pb(II) ions from aqueous solution.

PubMed

Guyo, U; Moyo, M

2017-01-01

The use of cowpea pod (CPP) biomass for the removal of Pb(II) ions from aqueous solution was investigated. The effects of factors such as dosage concentration (0.2 to 1.6 g L -1 ), pH (2 to 8), contact time (5 to 120 min), metal ion concentrations (10 to 80 mg L -1 ) and temperature (20 to 50 °C) were examined through batch studies. The biosorption data conformed best to the Langmuir model at the three working temperatures (20, 30 and 40 °C) as revealed by the correlation coefficients (R 2 ) which were greater than 0.940. The maximum sorption capacity of the CPP for Pb(II) was 32.96 mg g -1 at 313 K. Furthermore, the kinetic data fitted well to the pseudo-second-order model as it had the lowest sum of square error (SSE) values and correlation coefficients close to unity (R 2  > 0.999). The thermodynamic parameters (ΔG°, ΔS° and ΔH°) showed that the biosorption process was spontaneous, feasible and endothermic. The results obtained in the present study indicated that cowpea pod biomass could be used for the effective removal of Pb(II) from aqueous solution.

Comparison of continuum and particle simulations of expanding rarefied flows

NASA Technical Reports Server (NTRS)

Lumpkin, Forrest E., III; Boyd, Iain D.; Venkatapathy, Ethiraj

1993-01-01

Comparisons of Navier-Stokes solutions and particle simulations for a simple two-dimensional model problem at a succession of altitudes are performed in order to assess the importance of rarefaction effects on the base flow region. In addition, an attempt is made to include 'Burnett-type' extensions to the Navier-Stokes constitutive relations. The model geometry consists of a simple blunted wedge with a 0.425 meter nose radius, a 70 deg cone half angle, a 1.7 meter base length, and a rounded shoulder. The working gas is monatomic with a molecular weight and viscosity similar to air and was chosen to focus the study on the continuum and particle methodologies rather than the implementation of thermo-chemical modeling. Three cases are investigated, all at Mach 29, with densities corresponding to altitudes of 92 km, 99 km, and 105 km. At the lowest altitude, Navier-Stokes solutions agree well with particle simulations. At the higher altitudes, the Navier-Stokes equations become less accurate. In particular, the Navier-Stokes equations and particle method predict substantially different flow turning angle in the wake near the after body. Attempts to achieve steady continuum solutions including 'Burnett-type' terms failed. Further research is required to determine whether the boundary conditions, the equations themselves, or other unknown causes led to this failure.

Diminish electrostatic in piezoresponse force microscopy through longer or ultra-stiff tips

NASA Astrophysics Data System (ADS)

Gomez, A.; Puig, T.; Obradors, X.

2018-05-01

Piezoresponse Force Microscopy is a powerful but delicate nanoscale technique that measures the electromechanical response resulting from the application of a highly localized electric field. Though mechanical response is normally due to piezoelectricity, other physical phenomena, especially electrostatic interaction, can contribute to the signal read. We address this problematic through the use of longer ultra-stiff probes providing state of the art sensitivity, with the lowest electrostatic interaction and avoiding working in high frequency regime. In order to find this solution we develop a theoretical description addressing the effects of electrostatic contributions in the total cantilever vibration and its quantification for different setups. The theory is subsequently tested in a Periodically Poled Lithium Niobate (PPLN) crystal, a sample with well-defined 0° and 180° domains, using different commercial available conductive tips. We employ the theoretical description to compare the electrostatic contribution effects into the total phase recorded. Through experimental data our description is corroborated for each of the tested commercially available probes. We propose that a larger probe length can be a solution to avoid electrostatic forces, so the cantilever-sample electrostatic interaction is reduced. Our proposed solution has great implications into avoiding artifacts while studying soft biological samples, multiferroic oxides, and thin film ferroelectric materials.

Enhanced spin-ordering temperature in ultrathin FeTe films grown on a topological insulator

NASA Astrophysics Data System (ADS)

Singh, Udai Raj; Warmuth, Jonas; Kamlapure, Anand; Cornils, Lasse; Bremholm, Martin; Hofmann, Philip; Wiebe, Jens; Wiesendanger, Roland

2018-04-01

We studied the temperature dependence of the diagonal double-stripe spin order in 1 and 2 unit cell thick layers of FeTe grown on the topological insulator B i2T e3 via spin-polarized scanning tunneling microscopy. The spin order persists up to temperatures which are higher than the transition temperature reported for bulk F e1 +yTe with lowest possible excess Fe content y . The enhanced spin order stability is assigned to a strongly decreased y with respect to the lowest values achievable in bulk crystal growth, and effects due to the interface between the FeTe and the topological insulator. The result is relevant for understanding the recent observation of a coexistence of superconducting correlations and spin order in this system.

Biochemical basis of osmotic potential for several hardwood species

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shirshac, T.L.; Gebre, G.M.; Tschaplinski, T.J.

1995-06-01

Metabolite concentrations in leaves of several tree species in an upland oak forest were characterized to determine the biochemical basis of species differences in osmotic potential at saturation. Hydrologic treatments at the site included ambient, wet (+33% throughfall precipitation), and dry (-33% throughfall precipitation). All samples collected from the ambient plot in May have been analyzed for free primary amino acids, inorganic ions, soluble carbohydrates, phenolic compounds, and organic acids. In all species, free primary amino acids accounted for less than 1% of the total solute pool. Dogwood had the lowest total solute concentration (687 {mu}mol/g dw), corresponding to themore » highest osmotic potential at saturation (-1.05 MPa). Understory red maple, sugar maple, scarlet oak, white oak, and overstory red maple had increasing total solute concentrations, with chestnut oak having the highest solute concentration (1126 {mu}mol/g dw) and the lowest osmotic potential (-1.76 MPa). Osmotic adjustment to water stress was evident in chestnut oak in the dry treatment throughout the growing season--up to a 0.21 MPa difference in the dry plot relative to the ambient plot in September. The data on carbohydrate concentrations, however, only partially account for the adjustments. Given that inorganic ions constituted almost 50% of the total solute pool in chestnut oak in May, any large solute adjustment would likely result from changes in inorganic ions.« less

Determination of the bioaccessible fraction of metals in urban aerosol using simulated lung fluids

NASA Astrophysics Data System (ADS)

Coufalík, Pavel; Mikuška, Pavel; Matoušek, Tomáš; Večeřa, Zbyněk

2016-09-01

Determination of the bioaccessible fraction of metals in atmospheric aerosol is a significant issue with respect to air pollution in the urban environment. The aim of this work was to compare of metal bioaccessibility determined according to the extraction yields of six simulated lung fluids. Aerosol samples of the PM1 fraction were collected in Brno, Czech Republic. The total contents of Cd, Ce, Cr, Cu, Fe, Mn, Ni, Pb, V, and Zn in the samples were determined and their enrichment factors were calculated. The bioaccessible proportions of elements were determined by means of extraction in Gamble's solution, Gamble's solution with dipalmitoyl phosphatidyl choline (DPPC), artificial lysosomal fluid, saline, water, and in a newly proposed solution based on DPPC, referred to as "Simulated Alveoli Fluid" (SAF). The chemical composition and surface tension of the simulated lung fluids were the main parameters influencing extraction yields. Gamble's solutions and the newly designed solution of SAF exhibited the lowest extraction efficiency, and also had the lowest surface tensions. The bioaccessibility of particulate metals should be assessed by synthetic lung fluids with a low surface tension, which simulate better the behavior and composition of native lung surfactant. The bioaccessibility of metals in aerosol assessed by means of the extraction in water or artificial lysosomal fluid can be overestimated.

Phototautomerization of 3-hydroxyflavone in the lowest triplet state

NASA Astrophysics Data System (ADS)

Tokumura, Kunihiro; Kurauchi, Mutsuo; Yagata, Nobuo; Itoh, Michiya

1996-08-01

Selective excitation of benzil in the presence of 3-hydroxyflavone (3HF) in fluid solution results in diffusional triplet energy transfer from benzil to 3HF, and the T n←T 1 absorption spectrum of 3HF (acceptor) was determined by transient absorption spectroscopy. It is demonstrated that red probe pulse excitation of the lowest triplet state (T 1) of the normal tautomer yields green fluorescence from the phototautomer in the lowest excited singlet state (S' 1). Generation of S' 1 upon the excitation of T 1 may be ascribed to an efficient T n→T' n proton transfer followed by T n'→T' 2 relaxation and T' 2→S' 1 reverse intersystem crossing.

Biological Characterization of the Biocontrol Agent Bacillus amyloliquefaciens CPA-8: The Effect of Temperature, pH and Water Activity on Growth, Susceptibility to Antibiotics and Detection of Enterotoxic Genes.

PubMed

Gotor-Vila, Amparo; Teixidó, Neus; Sisquella, María; Torres, Rosario; Usall, Josep

2017-09-01

This work focuses on the biological understanding of the biocontrol agent Bacillus amyloliquefaciens CPA-8 in order to accomplish the characterization required in the registration process for the development of a microorganism-based product. The tolerance of CPA-8 to grow under different pH-temperature and water activity (a w )-temperature conditions was widely demonstrated. Regarding the pH results, optimum growth at the evaluated conditions was observed at 37 °C and pH between 7 and 5. On the contrary, the slowest growth was recorded at 20 °C and pH 4.5. Moreover, the type of solute used to reduce a w had a great influence on the minimum a w at which the bacterium was able to grow. The lowest a w values for CPA-8 growth in media modified with glycerol and glucose were 0.950 and 0.960, respectively. Besides, the lowest a w for CPA-8 growth increased when the temperature decreased to 20 °C, at which CPA-8 was not able to grow at less than 0.990 a w , regardless of the type of solute. Antibiotic susceptibility tests were carried out to determine which antibiotic could affect the behavior of the bacteria and revealed that CPA-8 was clearly resistant to hygromycin. Finally, a PCR amplification assay to detect the presence of enterotoxic genes from Bacillus cereus in CPA-8 was also performed. CPA-8 gave negative results for all the genes tested except for nheA gene, which is not enough for the toxicity expression, suggesting that fruit treated with this antagonist will not be a potential vehicle for foodborne illnesses.

Influence of formulation properties on chemical stability of captopril in aqueous preparations.

PubMed

Kristensen, S; Lao, Y E; Brustugun, J; Braenden, J U

2008-12-01

The influence of various formulation properties on the chemical stability of captopril in aqueous media at pH 3 was investigated, in order to reformulate and increase the shelf-life of an oral mixture of the drug. At this pH, chemical stability is improved by an increase in drug concentration (1-5 mg/ml) and a decrease in temperature (5-36 degrees C), the latter demonstrated by a linear Arrhenius-plot. The activation energy is low (Ea = 10.2 kcal/mol), thus the Q10 value is only 1.8 in pure aqueous solutions. The degradation at the lowest concentration investigated in pure aqueous solution apparently follows zero order kinetics. The reaction order is changed at higher concentrations. We are presenting a hypothesis of intramolecular proton transfer from the thiol to the ionized carboxylic group as the initial step in the oxidative degradation pathways of captopril. Long-term stability of 1 mg/ml captopril in aqueous solutions at pH 3, stored at 36 degrees C for one year, shows that the sugar alcohol sorbitol accelerates degradation of the drug while Na-EDTA at a concentration as low as 0.01% is sufficient to stabilize these samples. Purging with N2-gas prior to storage is not essential for drug stability, as long as Na-EDTA is present. Only at a low level of Na-EDTA (0.01%) combined with a high level of sorbitol (35%), purging with N2-gas appears to have a small effect. The destabilizing effect of sugar alcohols is confirmed by accelerated degradation also in the presence of glycerol. The efficient stabilization in the presence of Na-EDTA at a low concentration indicates that the metal-ion-catalyzed oxidation pathway dominates the chemical degradation process at low pH, although several mechanisms seem to be involved depending on excipients present.

[Comparative evaluation of stability of benzylpenicillin in acid media of natural solutions and in culture fluid].

PubMed

Peretokina, N S; Lin'kova, O S; Erdman, I E; Sinitsyn, M A

1992-07-01

Inactivation of benzylpenicillin in real media i.e. fermentation broths and their filtrates was studied in comparison with the published data on inactivation of commercial benzylpenicillin in aqueous solutions as dependent on the medium pH and temperature. The lowest constant of benzylpenicillin inactivation was shown to be in the fermentation broths.

Assessing GHG emissions, ecological footprint, and water linkage for different fuels.

PubMed

Chavez-Rodriguez, Mauro F; Nebra, Silvia A

2010-12-15

Currently, transport is highly dependent on fossil fuels and responsible for about 23% of world energy-related GHG (greenhouse gas) emissions. Ethanol from sugar cane and corn emerges as an alternative for gasoline in order to mitigate GHG emissions. Additionally, deeper offshore drilling projects such as in the Brazilian Pre-Salt reservoirs and mining projects of nonconventional sources like Tar Sands in Canada could be a solution for supplying demand of fossil fuels in the short and midterm. Based on updated literature, this paper presents an assessment of GHG emissions for four different fuels: ethanol from sugar cane and from corn and gasoline from conventional crude oil and from tar sands. An Ecological Footprint analysis is also presented, which shows that ethanol from sugar cane has the lowest GHG emissions and requires the lowest biocapacity per unit of energy produced among these fuels. Finally, an analysis using the Embodied Water concept is made with the introduction of a new concept, the "CO(2)-Water", to illustrate the impacts of releasing carbon from underground to atmosphere and of the water needed to sequestrate it over the life cycle of the assessed fuels. Using this method resulted that gasoline from fossil fuels would indirectly "require" on average as much water as ethanol from sugar cane per unit of fuel energy produced.

Fluorene- and benzofluorene-cored oligomers as low threshold and high gain amplifying media

NASA Astrophysics Data System (ADS)

Kazlauskas, Karolis; Kreiza, Gediminas; Bobrovas, Olegas; AdomÄ--nienÄ--, Ona; AdomÄ--nas, Povilas; Jankauskas, Vygintas; JuršÄ--nas, Saulius

2015-07-01

Deliberate control of intermolecular interactions in fluorene- and benzofluorene-cored oligomers was attempted via introduction of different-length alkyl moieties to attain high emission amplification and low amplified spontaneous emission (ASE) threshold at high oligomer concentrations. Containing fluorenyl peripheral groups decorated with different-length alkyl moieties, the oligomers were found to express weak concentration quenching of emission, yet excellent carrier drift mobilities (close to 10-2 cm2/V/s) in the amorphous films. Owing to the larger radiative decay rates (>1.0 × 109 s-1) and smaller concentration quenching, fluorene-cored oligomers exhibited down to one order of magnitude lower ASE thresholds at higher concentrations as compared to those of benzofluorene counterparts. The lowest threshold (300 W/cm2) obtained for the fluorene-cored oligomers at the concentration of 50 wt % in polymer matrix is among the lowest reported for solution-processed amorphous films in ambient conditions, what makes the oligomers promising for lasing application. Great potential in emission amplification was confirmed by high maximum net gain (77 cm-1) revealed for these compounds. Although the photostability of the oligomers was affected by photo-oxidation, it was found to be comparable to that of various organic lasing materials including some commercial laser dyes evaluated under similar excitation conditions.

Properties of colour reference solutions of the European Pharmacopoea in CIE L*a*b* colour space.

PubMed

Subert, J; Farsa, O; Gajdosová, Z

2006-12-01

The coordinates of CIE L*a*b* uniform colour space have been acquired from the transmitance spectra of colour reference solutions of European Pharmacopoeia (Ph.Eur.). Calculation of colour differences of these solutions from purified water deltaE* gave their values in the range between 0.7 (B9 solution) to 36 (Y1 solution) CIE units. Excluding red colour reference soulutions, deltaE* values did not depend on concentrations of colour compounds linearly. Small deltaE* values founded by the brown and brownish-yellow colour reference solutions of the lowest concentrations can possibly cause some problems of visual examination of the degree of coloration of liquids according to Ph.Eur.

Vortex/surface interaction

NASA Technical Reports Server (NTRS)

Bodstein, G. C. R.; George, A. R.; Hui, C. Y.

1993-01-01

This paper considers the interaction of a vortex generated upstream in a flow field with a downstream aerodynamic surface that possesses a large chord. The flow is assumed to be steady, incompressible, inviscid and irrotational, and the surface to be semiinfinite. The vortex is considered to be a straight vortex filament. To lowest order the problem is modeled using potential theory, where the 3D Laplace's equation for the velocity potential on the surface is solved exactly. The closed-form equation for pressure distribution obtained from this theory is found to have a square root singularity at the leading-edge. It also converges, as x goes to infinity, to the solution of the 2D point-vortex/infinite plane problem. The pressure coefficient presents an anti-symmetric behavior, near the leading-edge and a symmetric behavior as x goes to infinity.

Very highly excited vibrational states of LiCN using a discrete variable representation

NASA Astrophysics Data System (ADS)

Henderson, James R.; Tennyson, Jonathan

Calculations are presented for the lowest 900 vibrational (J = 0) states of the LiCN floppy system for a two dimensional potential energy surface (rCN frozen). Most of these states lie well above the barrier separating the two linear isomers of the molecule and the point where the classical dynamics of the system becomes chaotic. Analysis of the wavefunctions of individual states in the high energy region shows that while most have an irregular nodal structure, a significant number of states appear regular - corresponding to solutions of standard, 'mode localized' hamiltonians. Motions corresponding in zero-order to Li-CN and Li-NC normal modes as well as free rotor states are identified. The distribution of level spacings is also studied and yields results in good agreement with those obtained by analysing nodal structures.

Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO4-

NASA Astrophysics Data System (ADS)

Sharma, Prachi; Truhlar, Donald G.; Gagliardi, Laura

2018-03-01

The electronic spectrum of permanganate ions contains various highly multiconfigurational ligand-to-metal charge transfer states and is notorious for being one of the most challenging systems to be treated by quantum-chemical methods. Here we studied the lowest nine vertical excitation energies using restricted active space second-order perturbation theory (RASPT2) and multiconfiguration pair-density functional theory (MC-PDFT) to test and compare these two theories in computing such a challenging spectrum. The results are compared to literature data, including time-dependent density functional theory, completely renormalized equation-of-motion couple-cluster theory with single and double excitations, symmetry-adapted-cluster configuration interaction, and experimental spectra in the gas phase and solution. Our results show that MC-PDFT accurately predicts the spectrum at a significantly reduced cost as compared to RASPT2.

Multiconfiguration pair-density functional theory investigation of the electronic spectrum of MnO4.

PubMed

Sharma, Prachi; Truhlar, Donald G; Gagliardi, Laura

2018-03-28

The electronic spectrum of permanganate ions contains various highly multiconfigurational ligand-to-metal charge transfer states and is notorious for being one of the most challenging systems to be treated by quantum-chemical methods. Here we studied the lowest nine vertical excitation energies using restricted active space second-order perturbation theory (RASPT2) and multiconfiguration pair-density functional theory (MC-PDFT) to test and compare these two theories in computing such a challenging spectrum. The results are compared to literature data, including time-dependent density functional theory, completely renormalized equation-of-motion couple-cluster theory with single and double excitations, symmetry-adapted-cluster configuration interaction, and experimental spectra in the gas phase and solution. Our results show that MC-PDFT accurately predicts the spectrum at a significantly reduced cost as compared to RASPT2.

σ-SCF: A direct energy-targeting method to mean-field excited states

NASA Astrophysics Data System (ADS)

Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D.; Van Voorhis, Troy

2017-12-01

The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry—a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states—ground or excited—are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H2, HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

σ-SCF: A direct energy-targeting method to mean-field excited states.

PubMed

Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D; Van Voorhis, Troy

2017-12-07

The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry-a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states-ground or excited-are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H 2 , HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

Application of the N-quantum approximation to the proton radius problem

NASA Astrophysics Data System (ADS)

Cowen, Steven

This thesis is organized into three parts: 1. Introduction and bound state calculations of electronic and muonic hydrogen, 2. Bound states in motion, and 3.Treatment of soft photons. In the first part, we apply the N-Quantum Approximation (NQA) to electronic and muonic hydrogen and search for any new corrections to energy levels that could account for the 0.31 meV discrepancy of the proton radius problem. We derive a bound state equation and compare our numerical solutions and wave functions to those of the Dirac equation. We find NQA Lamb shift diagrams and calculate the associated energy shift contributions. We do not find any new corrections large enough to account for the discrepancy. In part 2, we discuss the effects of motion on bound states using the NQA. We find classical Lorentz contraction of the lowest order NQA wave function. Finally, in part 3, we develop a clothing transformation for interacting fields in order to produce the correct asymptotic limits. We find the clothing eliminates a trilinear interacting Hamiltonian term and produces a quadrilinear soft photon interaction term.

Influence of modulation periods on the tribological behavior of Si/a-C: H multilayer film

NASA Astrophysics Data System (ADS)

Zhu, Linan; Wu, Yanxia; Zhang, Shujiao; Yu, Shengwang; Tang, Bin; Liu, Ying; Zhou, Bing; Shen, Yanyan

2018-01-01

A series of Si/a-C: H multilayer films with different modulation periods were fabricated on stainless steel and silicon substrates by radio-frequency magnetron sputtering. The influence of the modulation period on the structure, morphology, mechanical properties and tribological behaviors in different environments (air, simulated acid rain, and NaCl solution) was investigated. The results show that the content of the sp2 hybrid carbon, surface roughness and hardness of the multilayer film increased firstly and then decreased with the decreased modulation period. Furthermore, the combination of the sublayer agrees well with the formation of the SiC crystal at the interface. Interestingly, the films show quite substantially different tribological properties in various test environments. The lowest friction coefficient is 0.2 for the S1 film in air. However, the lowest friction coefficient can reach 0.13 in solution. Importantly, the tribological behavior of the multilayer film is mainly determined by its hardness, as well as surface roughness in air while it is closely related with modulation period and interface structure in solution.

78 FR 61416 - Self-Regulatory Organizations; Miami International Securities Exchange LLC; Notice of Filing and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-03

... zero or the lowest Minimum Trading Increment or (ii) the Expanded Quote Range has been calculated as zero. The proposal codifies existing functionality during the Exchange's Opening Process. Specifically... either zero or the lowest Minimum Trading Increment and market order sell interest has a quantity greater...

The role of topography in geodetic gravity field modelling

NASA Technical Reports Server (NTRS)

Forsberg, R.; Sideris, M. G.

1989-01-01

Masses associated with the topography, bathymetry, and its isostatic compensation are a dominant source of gravity field variations, especially at shorter wavelengths. On global scales the topographic/isostatic effects are also significant, except for the lowest harmonics. In practice, though, global effects need not be taken into account as such effects are included in the coefficients of the geopotential reference fields. On local scales, the short-wavelength gravity variations due to the topography may, in rugged terrain, be an order of magnitude larger than other effects. In such cases, explicit or implicit terrain reduction procedures are mandatory in order to obtain good prediction results. Such effects may be computed by space-domain integration or by fast Fourier transformation (FFT) methods. Numerical examples are given for areas of the Canadian Rockies. In principle, good knowledge of the topographic densities is required to produce the smoothest residual field. Densities may be determined from sample measurements or by gravimetric means, but both are somewhat troublesome methods in practice. The use of a standard density, e.g., 2.67 g/cu cm, may often yield satisfactory results and may be put within a consistent theoretical framework. The independence of density assumptions is the key point of the classical Molodensky approach to the geodetic boundary value problem. The Molodensky solutions take into account that land gravity field observations are done on a non-level surface. Molodensky's problem may be solved by integral expansions or more effective FFT methods, but the solution should not be intermixed with the use of terrain reductions. The methods are actually complimentary and may both be required in order to obtain the smoothest possible signal, least prone to aliasing and other effects coming from sparse data coverage, typical of rugged topography.

Skin antiseptics and the risk of operating theatre fires.

PubMed

Spigelman, Allan D; Swan, Judith R

2005-07-01

Following press reports of patients catching fire or receiving chemical burns in the operating theatre, a review was conducted on the flammability of skin antiseptics. The purpose of the paper was to clarify confusion regarding povidine-iodine (Betadine), which had been reported as being flammable, and also to determine the use of alcohol-based solutions in the Hunter Area Health Service. A risk assessment was conducted and risk reduction strategies outlined. Risk assessment was made following a literature review and an audit of 10 operating theatres in the Hunter Area Health Service. Risk for operating room fires from alcohol-based skin antiseptics was confirmed. Antiseptics in aqueous solutions only smoulder. The Hunter Health survey indicated that although alcohol-based solutions were not used in operating theatres, they were used in anaesthetic bays for insertion of epidural and central line catheters. Strategies to reduce the risk of fire include discontinuation of use of alcohol-based skin antiseptics in operating theatres; using fire retardant surgical drapes; installing over-current protection devices on electrical equipment; minimizing flammable conditions by avoiding nitrous oxide and using the lowest required concentration of inspired oxygen; use of non-flammable cuffed endotracheal tubes; education and training of operating theatre personnel in fire hazards. Operating theatre fires continue to be a major risk for patient safety. In order to reduce this risk, the strategies outlined here should be followed.

Towards a unification of the hierarchical reference theory and the self-consistent Ornstein-Zernike approximation.

PubMed

Reiner, A; Høye, J S

2005-12-01

The hierarchical reference theory and the self-consistent Ornstein-Zernike approximation are two liquid state theories that both furnish a largely satisfactory description of the critical region as well as phase coexistence and the equation of state in general. Furthermore, there are a number of similarities that suggest the possibility of a unification of both theories. As a first step towards this goal, we consider the problem of combining the lowest order gamma expansion result for the incorporation of a Fourier component of the interaction with the requirement of consistency between internal and free energies, leaving aside the compressibility relation. For simplicity, we restrict ourselves to a simplified lattice gas that is expected to display the same qualitative behavior as more elaborate models. It turns out that the analytically tractable mean spherical approximation is a solution to this problem, as are several of its generalizations. Analysis of the characteristic equations shows the potential for a practical scheme and yields necessary conditions that any closure to the Ornstein-Zernike relation must fulfill for the consistency problem to be well posed and to have a unique differentiable solution. These criteria are expected to remain valid for more general discrete and continuous systems, even if consistency with the compressibility route is also enforced where possible explicit solutions will require numerical evaluations.

Hybrid Quantum Mechanical and Molecular Mechanics Study of the SN2 Reaction of CCl4 + OH- in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Ting; Yin, Hongyun; Wang, Dunyou

2012-02-16

The bimolecular nucleophilic substitution reaction of CCl{sub 4} and OH{sup -} in aqueous solution was investigated on the basis of a combined quantum mechanical and molecular mechanics method. A multilayered representation approach is employed to achieve high accuracy results at the CCSD(T) level of theory. The potential of mean force calculations at the DFT level and CCSD(T) level of theory yield reaction barrier heights of 22.7 and 27.9 kcal/mol, respectively. Both the solvation effects and the solvent-induced polarization effect have significant contributions to the reaction energetics, for example, the solvation effect raises the saddle point by 10.6 kcal/mol. The calculatedmore » rate constant coefficient is 8.6 x 10{sup -28} cm{sup 3} molecule{sup -1} s{sup -1} at the standard state condition, which is about 17 orders magnitude smaller than that in the gas phase. Among the four chloromethanes (CH{sub 3}Cl, CH{sub 2}Cl{sub 2}, CHCl{sub 3}, and CCl{sub 4}), CCl{sub 4} has the lowest free energy activation barrier for the reaction with OH{sup -1} in aqueous solution, confirming the trend that substitution of Cl by H in chloromethanes diminishes the reactivity.« less

Soliton matter in the two-dimensional linear sigma model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dodd, L.R.; Lohe, M.A.; Rossi, M.

1987-10-01

We consider a one-dimensional model of nuclear matter where the quark clusters are described by solutions of the sigma model on a linear lattice in the self-consistent mean field approximation. Exact expressions are given for the baglike solutions confined to a finite interval, corresponding in the infinite interval limit to the free solitons previously found by Campbell and Liao. Periodic, self-consistent solutions which satisfy Bloch's theorem are constructed. Their energies and associated quark sigma field distributions are calculated numerically as functions of the baryon spacing, and compared with those of the uniform quark plasma. The predicted configuration of the groundmore » state depends critically on the assumed manner of filling the lowest band of quark single-particle levels, and on the density. In the absence of additional repulsive forces in the model, we find that the high density massless quark plasma is energetically favored and that there is a smooth transition from the baglike state to a uniform plasma with nonvanishing sigma field at comparatively large lattice constants 2dapprox. =10m/sub q//sup -1/ (m/sub q/ is the quark mass). If dilute filling of the entire band is employed, the clustered state is stable and a first order phase transition can occur for a range of much smaller lattice spacings 2dapprox. =4m/sub q//sup -1/. .AE« less

Raman spectroscopic features of Al- Fe3+- poor magnesiochromite and Fe2+- Fe3+- rich ferrian chromite solid solutions

NASA Astrophysics Data System (ADS)

Kharbish, Sherif

2018-04-01

Naturally occurring Al- Fe3 +- poor magnesiochromite and Fe2+- Fe3 +- rich ferrian chromite solid solutions have been analyzed by micro-Raman spectroscopy. The results reflect a strong positive correlation between the Fe3 + # [Fe3+/(Fe3 ++Cr + Al)] and the positions of all Raman bands. A positive correlation of the Raman band positions with Mg# [Mg/(Mg + Fe2 +)] is less stringent. Raman spectra of magnesiochromite and ferrian chromite show seven and six bands, respectively, in the spectral region of 800 - 100 cm- 1. The most intense band in both minerals is identified as symmetric stretching vibrational mode, ν 1( A 1 g ). In the intermediate Raman-shift region (400-600 cm- 1), the significant bands are attributed to the ν 3( F 2 g ) > ν 4( F 2 g ) > ν 2( E g ) modes. The bands with the lowest Raman shifts (< 200 cm- 1) are assigned to F 2 g ( trans) translatory lattice modes. Extra bands in magnesiochromite (two bands) and in ferrian chromite (one weak band) are attributed to lowering in local symmetry and order/disorder effects.

Statistical analysis of nonlinearly reconstructed near-infrared tomographic images: Part I--Theory and simulations.

PubMed

Pogue, Brian W; Song, Xiaomei; Tosteson, Tor D; McBride, Troy O; Jiang, Shudong; Paulsen, Keith D

2002-07-01

Near-infrared (NIR) diffuse tomography is an emerging method for imaging the interior of tissues to quantify concentrations of hemoglobin and exogenous chromophores non-invasively in vivo. It often exploits an optical diffusion model-based image reconstruction algorithm to estimate spatial property values from measurements of the light flux at the surface of the tissue. In this study, mean-squared error (MSE) over the image is used to evaluate methods for regularizing the ill-posed inverse image reconstruction problem in NIR tomography. Estimates of image bias and image standard deviation were calculated based upon 100 repeated reconstructions of a test image with randomly distributed noise added to the light flux measurements. It was observed that the bias error dominates at high regularization parameter values while variance dominates as the algorithm is allowed to approach the optimal solution. This optimum does not necessarily correspond to the minimum projection error solution, but typically requires further iteration with a decreasing regularization parameter to reach the lowest image error. Increasing measurement noise causes a need to constrain the minimum regularization parameter to higher values in order to achieve a minimum in the overall image MSE.

Benefits of improved municipal solid waste management on greenhouse gas reduction in Luangprabang, Laos.

PubMed

Vilaysouk, Xaysackda; Babel, Sandhya

2017-07-01

Climate change is a consequence of greenhouse gas emissions. Greenhouse gas (GHG) emissions from the waste sector contribute to 3% of total anthropogenic emissions. In this study, applicable solutions for municipal solid waste (MSW) management in Luangprabang (LPB) and Laos were examined. Material flow analysis of MSW was performed to estimate the amount of MSW generated in 2015. Approximately 29,419 tonnes of MSW is estimated for 2015. Unmanaged landfilling was the main disposal method, while MSW open burning was also practiced to some extent. The International Panel on Climate Change 2006 model and the Atmospheric Brown Clouds Emission Inventory Manual were used to estimate GHG emissions from existing MSW management, and total emissions are 33,889 tonnes/year carbon dioxide-equivalents (CO 2 -eq). Three scenarios were developed in order to reduce GHG emissions and environmental problems. Improvement of the MSW management by expanding MSW collection services, introducing composting and recycling, and avoiding open burning, can be considered as solutions to overcome the problems for LPB. The lowest GHG emissions are achieved in the scenario where composting and recycling are proposed, with the total GHG emissions reduction by 18,264 tonnes/year CO 2 -eq.

Experimental measure of retinal impact force resulting from intraocular foreign body dropped onto retina through media of differing viscosity.

PubMed

Ernst, Benjamin J; Velez-Montoya, Raul; Kujundzic, Damir; Kujundzic, Elmira; Olson, Jeffrey L

2013-07-01

To evaluate and compare the perfluorocarbon liquid, silicone oil, and viscoelastic against standard saline, in their ability to dampen the impact force of a foreign body, dropped within the eye. In an experimental surgical model in where cohesive and adhesive forces of the substances are not enough to float heavy-than-water foreign bodies. A model of ophthalmic surgery was constructed. A BB pellet was dropped from 24 mm onto a force transducer through four different fluids: balanced salt solution, perfluoro-n-octane, viscoelastic, and silicone oil. The impact energy (force) for each case was measured and recorded by the force transducer. The mean force of impact for each fluid was compared using the Student t-test. Silicone oil resulted in the lowest force of impact. Both silicone oil and viscoelastic dampened the impact an order of magnitude more than perfluoro-n-octane and balanced salt solution. Silicone oil and viscoelastic cushioned the force from a dropped BB. They may be useful adjuncts to prevent iatrogenic retinal injury during vitrectomy for intraocular foreign body removal. © 2012 The Authors. Clinical and Experimental Ophthalmology © 2012 Royal Australian and New Zealand College of Ophthalmologists.

Infinite hierarchy of nonlinear Schrödinger equations and their solutions.

PubMed

Ankiewicz, A; Kedziora, D J; Chowdury, A; Bandelow, U; Akhmediev, N

2016-01-01

We study the infinite integrable nonlinear Schrödinger equation hierarchy beyond the Lakshmanan-Porsezian-Daniel equation which is a particular (fourth-order) case of the hierarchy. In particular, we present the generalized Lax pair and generalized soliton solutions, plane wave solutions, Akhmediev breathers, Kuznetsov-Ma breathers, periodic solutions, and rogue wave solutions for this infinite-order hierarchy. We find that "even- order" equations in the set affect phase and "stretching factors" in the solutions, while "odd-order" equations affect the velocities. Hence odd-order equation solutions can be real functions, while even-order equation solutions are always complex.

Navigation of the GRAIL Spacecraft Pair Through the Extended Mission at the Moon

NASA Technical Reports Server (NTRS)

Goodson, Troy D.; Antreasian, Peter G.; Bhat, Ram S.; Chung, Min-Kun; Criddle, Kevin E.; Hatch, Sara J.; Jefferson, David C.; Lau, Eunice L.; Roncoli, Ralph B.; Ryne, Mark S.;

Feeding behavior and social interactions of the Argentine ant Linepithema humile change with sucrose concentration.

PubMed

Sola, F J; Josens, R

2016-08-01

Liquid sugar baits are well accepted by the Argentine ant Linepithema humile and are suitable for the chemical control of this invasive species. We evaluated how sugar concentrations affect the foraging behavior of L. humile individuals. We quantified feeding variables for individual foragers (ingested load, feeding time and solution intake rate) when feeding on sucrose solutions of different concentrations, as well as post-feeding interactions with nestmates. Solutions of intermediate sucrose concentrations (10-30%) were the most consumed and had the highest intake rates, whereas solutions of high sucrose concentrations (60 and 70%) resulted in extended feeding times, low intake rates and ants having smaller crop loads. In terms of post-feeding interactions, individuals fed solutions of intermediate sucrose concentrations (20%) had the highest probability of conducting trophallaxis and the smallest latency to drop exposure (i.e. lowest time delay). Trophallaxis duration increased with increasing sucrose concentrations. Behavioral motor displays, including contacts with head jerking and walking with a gaster waggle, were lowest for individuals that ingested the more dilute sucrose solution (5%). These behaviors have been previously suggested to act as a communication channel for the activation and/or recruitment of nestmates. We show here that sucrose concentration affects feeding dynamics and modulates decision making related to individual behavior and social interactions of foragers. Our results indicate that intermediate sucrose concentrations (ca. 20%), appear to be most appropriate for toxic baits because they promote rapid foraging cycles, a high crop load per individual, and a high degree of stimulation for recruitment.

Evaluation of the CPU time for solving the radiative transfer equation with high-order resolution schemes applying the normalized weighting-factor method

NASA Astrophysics Data System (ADS)

Xamán, J.; Zavala-Guillén, I.; Hernández-López, I.; Uriarte-Flores, J.; Hernández-Pérez, I.; Macías-Melo, E. V.; Aguilar-Castro, K. M.

2018-03-01

In this paper, we evaluated the convergence rate (CPU time) of a new mathematical formulation for the numerical solution of the radiative transfer equation (RTE) with several High-Order (HO) and High-Resolution (HR) schemes. In computational fluid dynamics, this procedure is known as the Normalized Weighting-Factor (NWF) method and it is adopted here. The NWF method is used to incorporate the high-order resolution schemes in the discretized RTE. The NWF method is compared, in terms of computer time needed to obtain a converged solution, with the widely used deferred-correction (DC) technique for the calculations of a two-dimensional cavity with emitting-absorbing-scattering gray media using the discrete ordinates method. Six parameters, viz. the grid size, the order of quadrature, the absorption coefficient, the emissivity of the boundary surface, the under-relaxation factor, and the scattering albedo are considered to evaluate ten schemes. The results showed that using the DC method, in general, the scheme that had the lowest CPU time is the SOU. In contrast, with the results of theDC procedure the CPU time for DIAMOND and QUICK schemes using the NWF method is shown to be, between the 3.8 and 23.1% faster and 12.6 and 56.1% faster, respectively. However, the other schemes are more time consuming when theNWFis used instead of the DC method. Additionally, a second test case was presented and the results showed that depending on the problem under consideration, the NWF procedure may be computationally faster or slower that the DC method. As an example, the CPU time for QUICK and SMART schemes are 61.8 and 203.7%, respectively, slower when the NWF formulation is used for the second test case. Finally, future researches to explore the computational cost of the NWF method in more complex problems are required.

Arsenate (As V) in water: quantitative sensitivity relationships among biomarker, ecotoxicity and genotoxicity endpoints.

PubMed

Silva, Valéria C; Almeida, Sônia M; Resgalla, Charrid; Masfaraud, Jean-François; Cotelle, Sylvie; Radetski, Claudemir M

2013-06-01

It is useful to test ecotoxicity and genotoxicity endpoints in the environmental impact assessment. Here, we compare and discuss ecotoxicity and genotoxicity effects in organisms in response to exposure to arsenate (As V) in solution. Eco(geno)toxicity responses in Aliivibrio fischeri, Lytechinus variegatus, Daphnia magna, Skeletonema costatum and Vicia faba were analyzed by assessing different endpoints: biomass growth, peroxidase activity, mitotic index, micronucleus frequency, and lethality in accordance with the international protocols. Quantitative sensitivity relationships (QSR) between these endpoints were established in order to rank endpoint sensitivity. The results for the QSR values based on the lowest observed effect concentration (LOEC) ratios varied from 2 (for ratio of root peroxidase activity to leaf peroxidase activity) to 2286 (for ratio of higher plant biomass growth to root peroxidase activity). The QSR values allowed the following sensitivity ranking to be established: higher plant enzymatic activity>daphnids≈echinoderms>bacteria≈algae>higher plant biomass growth. The LOEC values for the mitotic index and micronucleus frequency (LOEC=0.25mgAsL(-1)) were similar to the lowest LOEC values observed in aquatic organisms. This approach to the QSR of different endpoints could form the basis for monitoring and predicting early effects of pollutants before they give rise to significant changes in natural community structures. Copyright © 2013 Elsevier Inc. All rights reserved.

Frequency response of nonlinear oscillations of air column in a tube with an array of Helmholtz resonators.

PubMed

Sugimoto, N; Masuda, M; Hashiguchi, T

2003-10-01

Nonlinear cubic theory is developed to obtain a frequency response of shock-free, forced oscillations of an air column in a closed tube with an array of Helmholtz resonators connected axially. The column is assumed to be driven by a plane piston sinusoidally at a frequency close or equal to the lowest resonance frequency with its maximum displacement fixed. By applying the method of multiple scales, the equation for temporal modulation of a complex pressure amplitude of the lowest mode is derived in a case that a typical acoustic Mach number is comparable with the one-third power of the piston Mach number, while the relative detuning of a frequency is comparable with the quadratic order of the acoustic Mach number. The steady-state solution gives the asymmetric frequency response curve with bending (skew) due to nonlinear frequency upshift in addition to the linear downshift. Validity of the theory is checked against the frequency response obtained experimentally. For high amplitude of oscillations, an effect of jet loss at the throat of the resonator is taken into account, which introduces the quadratic loss to suppress the peak amplitude. It is revealed that as far as the present check is concerned, the weakly nonlinear theory can give quantitatively adequate description up to the pressure amplitude of about 3% to the equilibrium pressure.

Ultrafast dynamics of the lowest-lying neutral states in carbon dioxide

DOE PAGES

Wright, Travis W.; Champenois, Elio G.; Cryan, James P.; ...

2017-02-17

Here, we present a study of the ultrafast dissociation dynamics of the lowest-lying electronic excited states in CO 2 by using ultraviolet (UV) and extreme-ultraviolet (XUV) pulses from high-order harmonic generation. We observe two primary dissociation channels: a direct dissociation channel along the 1Π g electronically excited manifold, and a second channel which results from the mixing of electronic states. The direct dissociation channel is found to have a lifetime which is shorter than our experimental resolution, whereas the second channel has a significantly longer lifetime of nearly 200 fs. In this long-lived channel we observe a beating of themore » vibrational populations with a period of ~133 fs.« less

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations: Inviscid Fluxes

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

2010-01-01

Cell-centered and node-centered approaches have been compared for unstructured finite-volume discretization of inviscid fluxes. The grids range from regular grids to irregular grids, including mixed-element grids and grids with random perturbations of nodes. Accuracy, complexity, and convergence rates of defect-correction iterations are studied for eight nominally second-order accurate schemes: two node-centered schemes with weighted and unweighted least-squares (LSQ) methods for gradient reconstruction and six cell-centered schemes two node-averaging with and without clipping and four schemes that employ different stencils for LSQ gradient reconstruction. The cell-centered nearest-neighbor (CC-NN) scheme has the lowest complexity; a version of the scheme that involves smart augmentation of the LSQ stencil (CC-SA) has only marginal complexity increase. All other schemes have larger complexity; complexity of node-centered (NC) schemes are somewhat lower than complexity of cell-centered node-averaging (CC-NA) and full-augmentation (CC-FA) schemes. On highly anisotropic grids typical of those encountered in grid adaptation, discretization errors of five of the six cell-centered schemes converge with second order on all tested grids; the CC-NA scheme with clipping degrades solution accuracy to first order. The NC schemes converge with second order on regular and/or triangular grids and with first order on perturbed quadrilaterals and mixed-element grids. All schemes may produce large relative errors in gradient reconstruction on grids with perturbed nodes. Defect-correction iterations for schemes employing weighted least-square gradient reconstruction diverge on perturbed stretched grids. Overall, the CC-NN and CC-SA schemes offer the best options of the lowest complexity and secondorder discretization errors. On anisotropic grids over a curved body typical of turbulent flow simulations, the discretization errors converge with second order and are small for the CC-NN, CC-SA, and CC-FA schemes on all grids and for NC schemes on triangular grids; the discretization errors of the CC-NA scheme without clipping do not converge on irregular grids. Accurate gradient reconstruction can be achieved by introducing a local approximate mapping; without approximate mapping, only the NC scheme with weighted LSQ method provides accurate gradients. Defect correction iterations for the CC-NA scheme without clipping diverge; for the NC scheme with weighted LSQ method, the iterations either diverge or converge very slowly. The best option in curved geometries is the CC-SA scheme that offers low complexity, second-order discretization errors, and fast convergence.

[Adsorbent effect of activated carbon on small molecular uremic toxin and its influence factors].

PubMed

Yang, Bo; Jiang, Yun-sheng; Li, Jun

2003-06-01

To analyze the adsorbent effect of activated carbon on uremic toxin and its influence factors. Uremic toxins (urea, creatinine and uric acid) were dissolved in the distilled water to obtain uremic toxic solution. Activated carbon was added to the solution, and the concentrations of uremic toxins were measured at different time spots. To determine the influence factors, some possible related materials, such as bile, amino acid, Ringer's, solution of glucose, HCl or NaOH respectively were added simultaneously. The concentrations of toxins in uremic toxic solution decreased 5 min after adding the activated carbon. The concentration of urea was the lowest at 30 min, but it increased after 50 min; while the concentrations of creatinine and uric acid reached the lowest level from 10 to 30 min after adding the activated carbon, and maintained at the same level after that. The bile, amino acid, electrolyte, glucose and pH value did not influence the adsorption of uric acid significantly, but they influenced the adsorption of urea and creatinine. Bile and amino acid influenced the concentration of urea remarkably, following glucose, NaOH and HCl. The effect of pH 2.0 solution on the creatinine concentration was the most significant, following glucose. Activated carbon has adsorptive effect on uremic toxins, but its adsorptive effect decreases as time goes on. Bile, glucose, amino acid, NaOH and HCl can affect the adsorptive effect of activated carbon on uremic toxins to some extent.

Enhanced nonlinearity interval mapping scheme for high-performance simulation-optimization of watershed-scale BMP placement

NASA Astrophysics Data System (ADS)

Zou, Rui; Riverson, John; Liu, Yong; Murphy, Ryan; Sim, Youn

2015-03-01

Integrated continuous simulation-optimization models can be effective predictors of a process-based responses for cost-benefit optimization of best management practices (BMPs) selection and placement. However, practical application of simulation-optimization model is computationally prohibitive for large-scale systems. This study proposes an enhanced Nonlinearity Interval Mapping Scheme (NIMS) to solve large-scale watershed simulation-optimization problems several orders of magnitude faster than other commonly used algorithms. An efficient interval response coefficient (IRC) derivation method was incorporated into the NIMS framework to overcome a computational bottleneck. The proposed algorithm was evaluated using a case study watershed in the Los Angeles County Flood Control District. Using a continuous simulation watershed/stream-transport model, Loading Simulation Program in C++ (LSPC), three nested in-stream compliance points (CP)—each with multiple Total Maximum Daily Loads (TMDL) targets—were selected to derive optimal treatment levels for each of the 28 subwatersheds, so that the TMDL targets at all the CP were met with the lowest possible BMP implementation cost. Genetic Algorithm (GA) and NIMS were both applied and compared. The results showed that the NIMS took 11 iterations (about 11 min) to complete with the resulting optimal solution having a total cost of 67.2 million, while each of the multiple GA executions took 21-38 days to reach near optimal solutions. The best solution obtained among all the GA executions compared had a minimized cost of 67.7 million—marginally higher, but approximately equal to that of the NIMS solution. The results highlight the utility for decision making in large-scale watershed simulation-optimization formulations.

Development of thermosensitive chitosan/glicerophospate injectable in situ gelling solutions for potential application in intraoperative fluorescence imaging and local therapy of hepatocellular carcinoma: a preliminary study.

PubMed

Salis, Andrea; Rassu, Giovanna; Budai-Szűcs, Maria; Benzoni, Ilaria; Csányi, Erzsébet; Berkó, Szilvia; Maestri, Marcello; Dionigi, Paolo; Porcu, Elena P; Gavini, Elisabetta; Giunchedi, Paolo

2015-01-01

Thermosensitive chitosan/glycerophosphate (C/GP) solutions exhibiting sol-gel transition around body temperature were prepared to develop a class of injectable hydrogel platforms for the imaging and loco-regional treatment of hepatocellular carcinoma (HCC). Indocyanine green (ICG) was loaded in the thermosensitive solutions in order to assess their potential for the detection of tumor nodules by fluorescence. The gel formation of these formulations as well as their gelling time, injectability, compactness and resistance of gel structure, gelling temperature, storage conditions, biodegradability, and in vitro dye release behavior were investigated. Ex vivo studies were carried out for preliminary evaluation using an isolated bovine liver. Gel strengths and gelation rates increased with the cross-link density between C and GP. These behaviors are more evident for C/GP solutions, which displayed a gel-like precipitation at 4°C. Furthermore, formulations with the lowest cross-link density between C and GP exhibited the best injectability due to a lower resistance to flow. The loading of the dye did not influence the gelation rate. ICG was not released from the hydrogels because of a strong electrostatic interaction between C and ICG. Ex vivo preliminary studies revealed that these injectable formulations remain in correspondence of the injected site. The developed ICG-loaded hydrogels have the potential for intraoperative fluorescence imaging and local therapy of HCC as embolic agents. They form in situ compact gels and have a good potential for filling vessels and/or body cavities.

Control of silicification by genetically engineered fusion proteins: Silk–silica binding peptides

PubMed Central

Zhou, Shun; Huang, Wenwen; Belton, David J.; Simmons, Leo O.; Perry, Carole C.; Wang, Xiaoqin; Kaplan, David L.

2014-01-01

In the present study, an artificial spider silk gene, 6mer, derived from the consensus sequence of Nephila clavipes dragline silk gene, was fused with different silica-binding peptides (SiBPs), A1, A3 and R5, to study the impact of the fusion protein sequence chemistry on silica formation and the ability to generate a silk–silica composite in two different bioinspired silicification systems: solution–solution and solution– solid. Condensed silica nanoscale particles (600–800 nm) were formed in the presence of the recombinant silk and chimeras, which were smaller than those formed by 15mer-SiBP chimeras [1], revealing that the molecular weight of the silk domain correlated to the sizes of the condensed silica particles in the solution system. In addition, the chimeras (6mer-A1/A3/R5) produced smaller condensed silica particles than the control (6mer), revealing that the silica particle size formed in the solution system is controlled by the size of protein assemblies in solution. In the solution–solid interface system, silicification reactions were performed on the surface of films fabricated from the recombinant silk proteins and chimeras and then treated to induce β-sheet formation. A higher density of condensed silica formed on the films containing the lowest β-sheet content while the films with the highest β-sheet content precipitated the lowest density of silica, revealing an inverse correlation between the β-sheet secondary structure and the silica content formed on the films. Intriguingly, the 6mer-A3 showed the highest rate of silica condensation but the lowest density of silica deposition on the films, compared with 6mer-A1 and -R5, revealing antagonistic crosstalk between the silk and the SiBP domains in terms of protein assembly. These findings offer a path forward in the tailoring of biopolymer–silica composites for biomaterial related needs. PMID:25462851

Theoretical investigation of thermodynamic stability and mobility of the oxygen vacancy in ThO 2 –UO 2 solid solutions

DOE PAGES

Liu, B.; Aidhy, D. S.; Zhang, Y.; ...

2014-10-16

The thermodynamic stability and the migration energy barriers of oxygen vacancies in ThO 2 –UO 2 solid solutions are investigated by density functional theory calculations. In pure ThO 2, the formation energy of oxygen vacancy is 7.58 eV and 1.46 eV under O rich and O poor conditions, respectively, while its migration energy barrier is 1.97 eV. The addition of UO 2 into ThO 2 significantly decreases the energetics of formation and migration of the oxygen vacancy. Among the range of UO 2-ThO 2 solid solutions studied in this work, UO 2 exhibits the lowest formation energy (5.99 eV andmore » -0.13 eV under O rich and O poor conditions, respectively) and Th 0.25U0 .75O 2 exhibits the lowest migration energy barrier (~ 1 eV). Moreover, by considering chemical potential, the phase diagram of oxygen vacancy as a function of both temperature and oxygen partial pressure is shown, which could help to gain experimental control over oxygen vacancy concentration.« less

Soliton, rational, and periodic solutions for the infinite hierarchy of defocusing nonlinear Schrödinger equations.

PubMed

Ankiewicz, Adrian

2016-07-01

Analysis of short-pulse propagation in positive dispersion media, e.g., in optical fibers and in shallow water, requires assorted high-order derivative terms. We present an infinite-order "dark" hierarchy of equations, starting from the basic defocusing nonlinear Schrödinger equation. We present generalized soliton solutions, plane-wave solutions, and periodic solutions of all orders. We find that "even"-order equations in the set affect phase and "stretching factors" in the solutions, while "odd"-order equations affect the velocities. Hence odd-order equation solutions can be real functions, while even-order equation solutions are complex. There are various applications in optics and water waves.

New Parallel Algorithms for Structural Analysis and Design of Aerospace Structures

NASA Technical Reports Server (NTRS)

Nguyen, Duc T.

1998-01-01

Subspace and Lanczos iterations have been developed, well documented, and widely accepted as efficient methods for obtaining p-lowest eigen-pair solutions of large-scale, practical engineering problems. The focus of this paper is to incorporate recent developments in vectorized sparse technologies in conjunction with Subspace and Lanczos iterative algorithms for computational enhancements. Numerical performance, in terms of accuracy and efficiency of the proposed sparse strategies for Subspace and Lanczos algorithm, is demonstrated by solving for the lowest frequencies and mode shapes of structural problems on the IBM-R6000/590 and SunSparc 20 workstations.

Birth Order and Self-Concept in Adolescence.

ERIC Educational Resources Information Center

Gecas, Viktor; Pasley, Kay

1983-01-01

Very little support was found for any of several hypotheses concerning the effect of birth order on self-concept in adolescents. The strongest support was found for the hypothesis that middle-borns have the lowest self-evaluations. (Author/BW)

Modeling laser beam diffraction and propagation by the mode-expansion method.

PubMed

Snyder, James J

2007-08-01

In the mode-expansion method for modeling propagation of a diffracted beam, the beam at the aperture can be expanded as a weighted set of orthogonal modes. The parameters of the expansion modes are chosen to maximize the weighting coefficient of the lowest-order mode. As the beam propagates, its field distribution can be reconstructed from the set of weighting coefficients and the Gouy phase of the lowest-order mode. We have developed a simple procedure to implement the mode-expansion method for propagation through an arbitrary ABCD matrix, and we have demonstrated that it is accurate in comparison with direct calculations of diffraction integrals and much faster.

Effect of salt on the response of birds to sucrose

USGS Publications Warehouse

Rogers, J.G.; Maller, O.

1973-01-01

The preference of male red-winged blackbirds for solutions of sucrose and sucrose with 0.03 M sodium chloride was tested, using a two-bottle choice test. Preliminary experiments demonstrated that the birds were indifferent to 0.03 M NaCl in water. Both control and experimental animals exhibited indifference to the solutions at the lowest concentration and aversion at the highest. The data suggest that the added sodium chloride makes the sucrose stimulus more discriminable.

Hegelians Axel Honneth and Robert Williams on the Development of Human Morality

ERIC Educational Resources Information Center

Huttunen, Rauno

2012-01-01

An individual is in the lowest phase of moral development if he thinks only of his own personal interest and has only his own selfish agenda in his mind as he encounters other humans. This lowest phase corresponds well with sixteenth century British moral egoism which reflects the rise of the new economic order. Adam Smith (1723-1790) wanted to…

A finite element method with overlapping meshes for free-boundary axisymmetric plasma equilibria in realistic geometries

NASA Astrophysics Data System (ADS)

Heumann, Holger; Rapetti, Francesca

2017-04-01

Existing finite element implementations for the computation of free-boundary axisymmetric plasma equilibria approximate the unknown poloidal flux function by standard lowest order continuous finite elements with discontinuous gradients. As a consequence, the location of critical points of the poloidal flux, that are of paramount importance in tokamak engineering, is constrained to nodes of the mesh leading to undesired jumps in transient problems. Moreover, recent numerical results for the self-consistent coupling of equilibrium with resistive diffusion and transport suggest the necessity of higher regularity when approximating the flux map. In this work we propose a mortar element method that employs two overlapping meshes. One mesh with Cartesian quadrilaterals covers the vacuum chamber domain accessible by the plasma and one mesh with triangles discretizes the region outside. The two meshes overlap in a narrow region. This approach gives the flexibility to achieve easily and at low cost higher order regularity for the approximation of the flux function in the domain covered by the plasma, while preserving accurate meshing of the geometric details outside this region. The continuity of the numerical solution in the region of overlap is weakly enforced by a mortar-like mapping.

The Effect of Rod-Shaped Long-Period Stacking Ordered Phases Evolution on Corrosion Behavior of Mg95.33Zn2Y2.67 Alloy

PubMed Central

Wang, Jingfeng; Jiang, Weiyan; Li, Yang; Ma, Yao

2018-01-01

The morphology evolution of long-period stacking ordered (LPSO) phases on corrosion behavior of Mg95.33Zn2Y2.67 alloy is investigated systematically during as-cast, pre-extrusion heat-treated, as-extruded and post-extrusion heat-treated conditions. The second phases in the as-cast alloy are only LPSO phases with a few Y particles. The pre-extrusion heat treatment changed LPSO phases from blocks into a rudimentary rod shape with lamellar structure, subsequently into fine fragments by extrusion, and then into a regular rod shape with lamellar structure followed by post-extrusion heat treatment. Immersion tests and electrochemical measurements in 3.5 wt % NaCl solution reveal that the post-extrusion heat-treated alloy has the best corrosion resistance with the lowest corrosion rate. This is attributed to the rod-shaped LPSO phases, which could hinder corrosion proceeding, and result in corrosion orientated along the direction of rods and forming relatively dense long-strip corrosion products. Our findings demonstrate that the improved corrosion resistance of magnesium alloys with LPSO phases can be tailored effectively by the proceeding technology and post-heat treatment. PMID:29772721

An ab initio study on the four electronically lowest-lying states of CH 2 using the state-averaged complete active space second-order configuration interaction method

NASA Astrophysics Data System (ADS)

Yamaguchi, Yukio; Schaefer, Henry F., III

1997-12-01

Four electronically lowest-lying ( X˜ 3B 1, ã 1A 1, b˜ 1B 1, and c˜ 1A 1) states of CH 2 have been investigated systematically using ab initio electronic structure theory. Complete active space (CAS) self-consistent-field (SCF) second-order configuration interaction (SOCI) and state-averaged (SA) CASSCF-SOCI levels of theory have been employed. The CASSCF reference wave function was constructed by minimizing the total energy of a specified state, while the SACASSCF reference wave function was obtained by minimizing the equally weighted total energy of the four ( X˜ 3B 1, ã 1A 1, b˜ 1B 1, and c˜ 1A 1) states. The third excited state ( c˜ 1A 1 or 2 1A 1) is of particular theoretical interest because it is represented by the second root of CASSCF and SOCI Hamiltonian matrices. Theoretical treatments of states not the lowest of their symmetry require special attention due to their tendency of variational collapse to the lower-lying state(s). For these four lowest-lying states total energies and physical properties including dipole moments, harmonic vibrational frequencies, and associated infrared (IR) intensities were determined and compared with the results from the configuration interaction with single and double excitations (CISD) method and available experimental values. The CASSCF-SOCI method should provide the most reliable energetics and physical properties in the present study owing to its fully variational nature in the molecular orbital (MO) and CI spaces for a given state. It is demonstrated that the SACASSCF-SOCI wave functions produce results which are quite consistent with those from the CASSCF-SOCI method. Thus significantly increased application of the SACASSCF-SOCI method to the excited states of a wide variety of molecular systems is expected.

Extended nonlinear Schrödinger equation with higher-order odd and even terms and its rogue wave solutions.

PubMed

Ankiewicz, Adrian; Wang, Yan; Wabnitz, Stefan; Akhmediev, Nail

2014-01-01

We consider an extended nonlinear Schrödinger equation with higher-order odd (third order) and even (fourth order) terms with variable coefficients. The resulting equation has soliton solutions and approximate rogue wave solutions. We present these solutions up to second order. Moreover, specific constraints on the parameters of higher-order terms provide integrability of the resulting equation, providing a corresponding Lax pair. Particular cases of this equation are the Hirota and the Lakshmanan-Porsezian-Daniel equations. The resulting integrable equation admits exact rogue wave solutions. In particular cases, mentioned above, these solutions are reduced to the rogue wave solutions of the corresponding equations.

Exact traveling wave solutions of fractional order Boussinesq-like equations by applying Exp-function method

NASA Astrophysics Data System (ADS)

Rahmatullah; Ellahi, Rahmat; Mohyud-Din, Syed Tauseef; Khan, Umar

2018-03-01

We have computed new exact traveling wave solutions, including complex solutions of fractional order Boussinesq-Like equations, occurring in physical sciences and engineering, by applying Exp-function method. The method is blended with fractional complex transformation and modified Riemann-Liouville fractional order operator. Our obtained solutions are verified by substituting back into their corresponding equations. To the best of our knowledge, no other technique has been reported to cope with the said fractional order nonlinear problems combined with variety of exact solutions. Graphically, fractional order solution curves are shown to be strongly related to each other and most importantly, tend to fixate on their integer order solution curve. Our solutions comprise high frequencies and very small amplitude of the wave responses.

Connecting complexity with spectral entropy using the Laplace transformed solution to the fractional diffusion equation

NASA Astrophysics Data System (ADS)

Liang, Yingjie; Chen, Wen; Magin, Richard L.

2016-07-01

Analytical solutions to the fractional diffusion equation are often obtained by using Laplace and Fourier transforms, which conveniently encode the order of the time and the space derivatives (α and β) as non-integer powers of the conjugate transform variables (s, and k) for the spectral and the spatial frequencies, respectively. This study presents a new solution to the fractional diffusion equation obtained using the Laplace transform and expressed as a Fox's H-function. This result clearly illustrates the kinetics of the underlying stochastic process in terms of the Laplace spectral frequency and entropy. The spectral entropy is numerically calculated by using the direct integration method and the adaptive Gauss-Kronrod quadrature algorithm. Here, the properties of spectral entropy are investigated for the cases of sub-diffusion and super-diffusion. We find that the overall spectral entropy decreases with the increasing α and β, and that the normal or Gaussian case with α = 1 and β = 2, has the lowest spectral entropy (i.e., less information is needed to describe the state of a Gaussian process). In addition, as the neighborhood over which the entropy is calculated increases, the spectral entropy decreases, which implies a spatial averaging or coarse graining of the material properties. Consequently, the spectral entropy is shown to provide a new way to characterize the temporal correlation of anomalous diffusion. Future studies should be designed to examine changes of spectral entropy in physical, chemical and biological systems undergoing phase changes, chemical reactions and tissue regeneration.

Treatment of selected pharmaceuticals by ferrate(VI): performance, kinetic studies and identification of oxidation products.

PubMed

Zhou, Zhengwei; Jiang, Jia-Qian

2015-03-15

The performance of ferrate(VI) in treating sulfamethoxazole (SMX), diclofenac (DCF), carbamazepine (CBZ) and bezafibrate (BZF) in test solutions containing the four compounds was investigated. A series of jar-test experiments was performed on a bench-scale at pH 6-9 and at a ferrate(VI) dose of 1-5 mg Fe/L. The results suggested that ferrate(VI) can effectively remove SMX, DCF and CBZ from the test solutions, with greater than 80% removal under optimum conditions. However, the removal efficiency of BZF was very low, less than 25% under the studied conditions. Increasing the dose of ferrate(VI) improved the treatment performance, while the influence of solution pH on ferrate(VI) performance varied among the different target compounds. Ferrate(VI) demonstrated the highest reactivity with SMX at pH 8 and pH 9 (20 °C), with apparent second-order rate constants of 360±17 M(-1) s(-1) and 1.26±0.02 M(-1) s(-1), respectively. However, BZF showed the lowest removal by ferrate(VI) with the smallest rate constants (less than 0.5 M(-1) s(-1)) at pH 8 and pH 9. Furthermore, a number of oxidation products (OPs) of SMX, DCF and CBZ during ferrate(VI) oxidation were detected by liquid chromatography and mass spectrometry (LC-MS), and their degradation pathways were tentatively proposed. No OPs of BZF were detected during ferrate(VI) oxidation. Copyright © 2014 Elsevier B.V. All rights reserved.

Renormalization group analysis of the Reynolds stress transport equation

NASA Technical Reports Server (NTRS)

Rubinstein, R.; Barton, J. M.

1992-01-01

The pressure velocity correlation and return to isotropy term in the Reynolds stress transport equation are analyzed using the Yakhot-Orszag renormalization group. The perturbation series for the relevant correlations, evaluated to lowest order in the epsilon-expansion of the Yakhot-Orszag theory, are infinite series in tensor product powers of the mean velocity gradient and its transpose. Formal lowest order Pade approximations to the sums of these series produce a fast pressure strain model of the form proposed by Launder, Reece, and Rodi, and a return to isotropy model of the form proposed by Rotta. In both cases, the model constant are computed theoretically. The predicted Reynolds stress ratios in simple shear flows are evaluated and compared with experimental data. The possibility is discussed of driving higher order nonlinear models by approximating the sums more accurately.

Acquisition Management for Systems-of-Systems: Exploratory Model Development and Experimentation

DTIC Science & Technology

2009-04-22

outputs of the Requirements Development and Logical Analysis processes into alternative design solutions and selects a final design solution. Decision...Analysis Provides the basis for evaluating and selecting alternatives when decisions need to be made. Implementation Yields the lowest-level system... Dependenc y Matrix 1 ⎥ ⎥ ⎥ ⎦ ⎤ ⎢ ⎢ ⎢ ⎣ ⎡ 011 100 110 2 ⎥ ⎥ ⎥ ⎦ ⎤ ⎢ ⎢ ⎢ ⎣ ⎡ 000 100 100 a) Example of SoS b) Model Structure for Example SoS

Demonstration of the Energy Component of the Installation Master Plan Using the Net Zero Energy Planner Tool

DTIC Science & Technology

2015-10-07

solutions such as solar photovoltaics, solar thermal, wind energy, bio-mass ( wood chips, etc.), bio-gas, or synthetic gas are considered as part of the...Leonard Wood , MO, Fort Hunter Liggett, CA, Schofield Barracks, HI, and the Presidio of Monterey, CA. Energy planning may be conducted at varying levels...installation goals at the lowest cost. In- dustrial scale supply solutions such as solar photovoltaics, solar-thermal, wind energy, biomass ( wood chips

Equilibrium Strategy and Population-Size Effects in Lowest Unique Bid Auctions

NASA Astrophysics Data System (ADS)

Pigolotti, Simone; Bernhardsson, Sebastian; Juul, Jeppe; Galster, Gorm; Vivo, Pierpaolo

2012-02-01

In lowest unique bid auctions, N players bid for an item. The winner is whoever places the lowest bid, provided that it is also unique. We use a grand canonical approach to derive an analytical expression for the equilibrium distribution of strategies. We then study the properties of the solution as a function of the mean number of players, and compare them with a large data set of internet auctions. The theory agrees with the data with striking accuracy for small population-size N, while for larger N a qualitatively different distribution is observed. We interpret this result as the emergence of two different regimes, one in which adaptation is feasible and one in which it is not. Our results question the actual possibility of a large population to adapt and find the optimal strategy when participating in a collective game.

Combining hydrogen evolution and corrosion data - A case study on the economic viability of selected metal cathodes in microbial electrolysis cells

NASA Astrophysics Data System (ADS)

Brown, Robert Keith; Schmidt, Ulrike Christiane; Harnisch, Falk; Schröder, Uwe

2017-07-01

In this study, hydrogen evolution reaction (HER) catalytic and corrosion data is determined for selected metal cathode materials. The HER data was gathered using cyclic voltammetry (CV) in electrolytes with several pH values and varying current densities. Of the tested materials, the stainless steel alloy EN 1.4401/AISI 316 generally had the lowest HER overpotentials at the pH values 0.25, 7 and 9. At the higher pH values of 11 and 14 a custom NiMoFe alloy with a m/m% composition of 60-30-10 showed the lowest overpotentials. After each CV experiment, the electrolyte solution was analyzed to determine the corrosion of the metal cathodes. Results of corrosion measurements showed that the stainless steels EN 1.4401 had the lowest corrosion losses on average across all tested pH values. Combining HER and corrosion data revealed that: In the pH 9 electrolyte solution, EN 1.4401 was not always the best catalyst in terms of its overpotential, but it incurs the least material costs due to its lack of corrosion, this balance thereby making it the "best choice" under the given conditions. The combination of HER and corrosion data provides a more effective framework for discussing economic viability than either data set alone.

Investigation of passive films formed on the surface of alloy 690 in borate buffer solution

NASA Astrophysics Data System (ADS)

Jinlong, Lv; Tongxiang, Liang; Chen, Wang; Wenli, Guo

2015-10-01

The passive film formed on the surface of the alloy 690 in borate buffer solution was studied by potentiodynamic curves and electrochemical impedance spectroscopy. With the increasing of the passivation potential, the corrosion resistance of the alloy 690 reduced. Moreover, the corrosion resistance of the passive film was the lowest in the vicinity of 0.6 VSCE. These results were supported by XPS and Mott-Schottky analyses. The corrosion resistance of the alloy 690 increased with the increasing of passivated potential in borate buffer solution with chloride ion. The chloride ion decreased corrosion resistance of the alloy 690 according to point defect model.

Electronic-property dependent interactions between tetracycline and graphene nanomaterials in aqueous solution.

PubMed

He, Lin; Liu, Fei-Fei; Zhao, Mengyao; Qi, Zhen; Sun, Xuefei; Afzal, Muhammad Zaheer; Sun, Xiaomin; Li, Yanhui; Hao, Jingcheng; Wang, Shuguang

2018-04-01

Understanding the interactions between graphene nanomaterials (GNMs) and antibiotics in aqueous solution is critical to both the engineering applications of GNMs and the assessment of their potential impact on the fate and transport of antibiotics in the aquatic environment. In this study, adsorption of one common antibiotic, tetracycline, by graphene oxide (GO) and reduced graphene oxide (RGO) was examined with multi-walled carbon nanotubes (MWCNTs) and graphite as comparison. The results showed that the tetracycline adsorption capacity by the four selected carbonaceous materials on the unit mass basis followed an order of GO>RGO>MWCNTs>graphite. Upon normalization by surface area, graphite, RGO and MWCNTs had almost the same high tetracycline adsorption affinity while GO exhibited the lowest. We proposed π-electron-property dependent interaction mechanisms to explain the observed different adsorption behaviors. Density functional theory (DFT) calculations suggested that the oxygen-containing functional groups on GO surface reduced its π-electron-donating ability, and thus decreased the π-based interactions between tetracycline and GO surface. Comparison of adsorption efficiency at different pH indicated that electrostatic interaction also played an important role in tetracycline-GO interactions. Site energy analysis confirmed a highly heterogeneous distribution of the binding sites and strong tetracycline binding affinity of GO surface. Copyright © 2017. Published by Elsevier B.V.

Harbingers and latecomers - the order of appearance of exact coherent structures in plane Poiseuille flow

NASA Astrophysics Data System (ADS)

Zammert, Stefan; Eckhardt, Bruno

2017-02-01

The transition to turbulence in plane Poiseuille flow (PPF) is connected with the presence of exact coherent structures. We here discuss a variety of different structures that are relevant for the transition, compare the critical Reynolds numbers and optimal wavelengths for their appearance, and explore the differences between flows operating at constant mass flux or at constant pressure drop. The Reynolds numbers quoted here are based on the mean flow velocity and refer to constant mass flux. Reynolds numbers based on constant pressure drop are always higher. The Tollmien-Schlichting (TS) waves bifurcate subcritically from the laminar profile at Re = 5772 at wavelength 6.16 and reach down to Re = 2610 at a different optimal wave length of 4.65. Their streamwise localised counter part bifurcates at the even lower value Re = 2334. Three-dimensional exact solutions appear at much lower Reynolds numbers. We describe one exact solutions that has a critical Reynolds number of 316. Streamwise localised versions of this state require higher Reynolds numbers, with the lowest bifurcation occurring near Re = 1018. The analysis shows that the various branches of TS-waves cannot be connected with transition observed near Re ≈ 1000 and that the exact coherent structures related to downstream vortices come in at lower Reynolds numbers and prepare for the transition.

A new perspective for quintic B-spline based Crank-Nicolson-differential quadrature method algorithm for numerical solutions of the nonlinear Schrödinger equation

NASA Astrophysics Data System (ADS)

Başhan, Ali; Uçar, Yusuf; Murat Yağmurlu, N.; Esen, Alaattin

2018-01-01

In the present paper, a Crank-Nicolson-differential quadrature method (CN-DQM) based on utilizing quintic B-splines as a tool has been carried out to obtain the numerical solutions for the nonlinear Schrödinger (NLS) equation. For this purpose, first of all, the Schrödinger equation has been converted into coupled real value differential equations and then they have been discretized using both the forward difference formula and the Crank-Nicolson method. After that, Rubin and Graves linearization techniques have been utilized and the differential quadrature method has been applied to obtain an algebraic equation system. Next, in order to be able to test the efficiency of the newly applied method, the error norms, L2 and L_{∞}, as well as the two lowest invariants, I1 and I2, have been computed. Besides those, the relative changes in those invariants have been presented. Finally, the newly obtained numerical results have been compared with some of those available in the literature for similar parameters. This comparison clearly indicates that the currently utilized method, namely CN-DQM, is an effective and efficient numerical scheme and allows us to propose to solve a wide range of nonlinear equations.

Cadmium removal by Lemna minor and Spirodela polyrhiza.

PubMed

Chaudhuri, Devaleena; Majumder, Arunabha; Misra, Amal K; Bandyopadhyay, Kaushik

2014-01-01

The present study investigates the ability of two genus of duckweed (Lemna minor and Spirodela polyrhiza) to phytoremediate cadmium from aqueous solution. Duckweed was exposed to six different cadmium concentrations, such as, 0.5,1.0,1.5, 2.0, 2.5, and 3.0 mg/L and the experiment was continued for 22 days. Water samples were collected periodically for estimation of residual cadmium content in aqueous solution. At the end of treatment period plant samples were collected and accumulated cadmium content was measured. Cadmium toxicity was observed through relative growth factor and changes in chlorophyll content Experimental results showed that Lemna minor and Spirodela polyrhiza were capable of removing 42-78% and 52-75% cadmium from media depending upon initial cadmium concentrations. Cadmium was removed following pseudo second order kinetic model Maximum cadmium accumulation in Lemna minor was 4734.56 mg/kg at 2 mg/L initial cadmium concentration and 7711.00 mg/kg in Spirodela polyrhiza at 3 mg/L initial cadmium concentration at the end of treatment period. Conversely in both cases maximum bioconcentration factor obtained at lowest initial cadmium concentrations, i.e., 0.5 mg/L, were 3295.61 and 4752.00 for Lemna minor and Spirodela polyrhiza respectively. The present study revealed that both Lemna minor and Spirodela polyrhiza was potential cadmium accumulator.

Intrinsic viscosity and rheological properties of natural and substituted guar gums in seawater.

PubMed

Wang, Shibin; He, Le; Guo, Jianchun; Zhao, Jinzhou; Tang, Hongbiao

2015-05-01

The intrinsic viscosity and rheological properties of guar gum (GG), hydroxypropyl guar (HPG) and carboxymethyl guar (CMG) in seawater and the effects of shear rate, concentration, temperature and pH on these properties were investigated. An intrinsic viscosity-increasing effect was observed with GG and HPG in seawater (SW) compared to deionized water (DW), whereas the intrinsic viscosity of CMG in seawater was much lower than that in DW due to a screening effect that reduced the repulsion between the polymer chains. Regardless of the functional groups, all sample solutions was well characterized by a modified Cross model that exhibited the transition from Newtonian to pseudoplastic in the low shear rate range at the concentrations of interest to industries, and their viscosity increased with the increase in their concentration but decreased with the increase in temperature. In contrast to nonionic GG or HPG, anionic CMG had a slightly decreased viscosity property in SW, exhibiting polyelectrolyte viscosity behavior. The α value in the zero-shear rate viscosity vs. concentration power-law equation for the samples gave the order of CMG>HPG>GG while the SW solution of CMG had the lowest viscous flow activation energy and exhibited a strong pH-dependent viscosity by a different shear rate. Copyright © 2015 Elsevier B.V. All rights reserved.

Rogue wave solutions for the infinite integrable nonlinear Schrödinger equation hierarchy.

PubMed

Ankiewicz, A; Akhmediev, N

2017-07-01

We present rogue wave solutions of the integrable nonlinear Schrödinger equation hierarchy with an infinite number of higher-order terms. The latter include higher-order dispersion and higher-order nonlinear terms. In particular, we derive the fundamental rogue wave solutions for all orders of the hierarchy, with exact expressions for velocities, phase, and "stretching factors" in the solutions. We also present several examples of exact solutions of second-order rogue waves, including rogue wave triplets.

Influence of steeping solution and storage temperature on the color change of garlic.

PubMed

Bae, Song Hwan; Lee, Seog-Won; Kim, Mi-Ryung; Kim, Jin Man; Suh, Hyung Joo

2010-01-01

The objective of this study was to investigate the browning of garlic under different steeping conditions and storage temperatures. The brown indices of steeped garlics showed lowest values (7.3 and 7) in 25% and 50% EtOH at 7 d of storage. The degree of browning of steeped garlics was lowest (10.2 in 25% EtOH and 10.4 in 50% EtOH) in the samples soaked for 8 h at 13 d of storage. As the storage temperature was increased from 10 to 40 degrees C, the brown indices of garlics revealed an increasing trend relative to storage time regardless of steeping treatment. Overall, the kinetic parameters showed relatively low R(2) and irregular reaction constants, but the k(o) values showed an increasing trend with temperature under a zero-order model. The highest polyphenol content within the garlic bulbs was seen in controls (without steeping treatment, 588.9 microg/g), than 0% EtOH (water, 392.5 microg/g), than 25% EtOH (211.3 microg/g), and finally 50% EtOH (155.6 microg/g). The polyphenol oxidase activity of garlic showed a similar trend to that of polyphenol content. However, the texture properties of garlics steeped with 25% and 50% did not change. The garlic color preferred by consumers is a creamy-white, but this is susceptible to enzymatic browning when pre-peeled and chopped. When garlic was steeped in the 25% and 50% alcohol, the browning of garlic was prevented during storage.

Colorimetric detection of mercury(II) in a high-salinity solution using gold nanoparticles capped with 3-mercaptopropionate acid and adenosine monophosphate.

PubMed

Yu, Cheng-Ju; Tseng, Wei-Lung

2008-11-04

A new colorimetric sensor for sensing Hg2+ in a high-salinity solution has been developed using gold nanoparticles (AuNPs) decorated with 3-mercaptopropionate acid (MPA) and adenosine monophosphate (AMP). Because of the high negative charge density of AMP on each AuNP surface, MPA/AMP-capped AuNPs are well dispersed in a high-salt solution. In contrast, the aggregation of MPA-capped AuNPs was induced by sodium ions, which shield the negative charges of the carboxylic groups of MPA. Through the coordination between the carboxylic group of MPA and Hg2+, the selectivity of MPA/AMP-capped AuNPs for Hg2+ in a high-salt solution is remarkably high over that of the other metals without the addition of a masking agent or a change in the temperature. We have carefully investigated the effect of the AMP concentration on the stability and sensitivity of MPA/AMP-capped AuNPs. Under optimum conditions, the lowest detectable concentration of Hg2+ using this probe was 500 nM on the basis of the measurement of the ratio of absorption at 620 nm to that at 520 nm. The sensitivity to Hg2+ can be further improved by modifying the MPA/AMP-capped AuNPs with highly fluorescent rhodamine 6G (R6G). By monitoring the fluorescence enhancement, the lowest detectable concentration of Hg2+ using R6G/MPA/AMP-capped AuNPs was 50 nM.

Contribution to the development of low frequency terahertz coherent Raman micro-spectroscopy and microscopy

NASA Astrophysics Data System (ADS)

Ujj, Laszlo

2018-06-01

We report the construction and characterization of a coherent Raman tabletop system utilizing a novel astigmatic optical focusing geometry, a broadband nanosecond optical parametric oscillator and volumetric Bragg filters assisting 3CBCRS measuring system for the first time. In order to illustrate the versatility of the measurements and reveal the molecular information obtainable, two well-characterized chemicals were selected. Polarization sensitive epi-detected 3CBCRS spectra of liquid CCl4 and calcite crystal were recorded and analyzed. An unexpected polarization dependence of the signals of the lowest frequency modes of CCl4 was observed. The 1122 third order susceptibility component was phase flipped. The non-resonant susceptibility normalized 1122 component was found to be larger than the 1111 component for the lowest vibrational modes. This anomalous comportment was attributable to the anisotropy Raman tensor invariant in the third order nonlinear susceptibility tensor.

The lowest-order weak Galerkin finite element method for the Darcy equation on quadrilateral and hybrid meshes

NASA Astrophysics Data System (ADS)

Liu, Jiangguo; Tavener, Simon; Wang, Zhuoran

2018-04-01

This paper investigates the lowest-order weak Galerkin finite element method for solving the Darcy equation on quadrilateral and hybrid meshes consisting of quadrilaterals and triangles. In this approach, the pressure is approximated by constants in element interiors and on edges. The discrete weak gradients of these constant basis functions are specified in local Raviart-Thomas spaces, specifically RT0 for triangles and unmapped RT[0] for quadrilaterals. These discrete weak gradients are used to approximate the classical gradient when solving the Darcy equation. The method produces continuous normal fluxes and is locally mass-conservative, regardless of mesh quality, and has optimal order convergence in pressure, velocity, and normal flux, when the quadrilaterals are asymptotically parallelograms. Implementation is straightforward and results in symmetric positive-definite discrete linear systems. We present numerical experiments and comparisons with other existing methods.

EDTA: a synthetic draw solute for forward osmosis.

PubMed

Lutchmiah, Kerusha; Post, Jan W; Rietveld, Luuk C; Cornelissen, Emile R

2014-01-01

The draw solution is the driving force of the forward osmosis (FO) process; however, the solute loss of the draw solute to the feed side is a general, financial limitation for most applications. The anthropogenic amino acid ethylenediaminetetraacetic acid (EDTA) was investigated as a draw solution for FO. At concentrations of approximately 1.0 osmol/kg, EDTA demonstrated comparable water fluxes (Jv = 5.29 L/m(2) h) to the commonly used salt, NaCl (Jv = 4.86 L/m(2) h), and both produced better water fluxes than glucose (Jv = 3.46 L/m(2) h). EDTA showed the lowest solute loss with Js (reverse solute loss or solute leakage) = 0.54 g/m(2) h. The molecular weight, degree of ionisation and charge of EDTA played a major role in this efficiency and EDTA was therefore well rejected by the membrane, showing a low Js/Jv ratio of 0.10 g/L. Owing to the low solute loss of EDTA and its resistance to biodegradation, this compound has the potential to be used as a draw solute for FO during long periods without requiring much replenishment.

Energetics of slope flows: linear and weakly nonlinear solutions of the extended Prandtl model

NASA Astrophysics Data System (ADS)

Güttler, Ivan; Marinović, Ivana; Večenaj, Željko; Grisogono, Branko

2016-07-01

The Prandtl model succinctly combines the 1D stationary boundary-layer dynamics and thermodynamics of simple anabatic and katabatic flows over uniformly inclined surfaces. It assumes a balance between the along-the-slope buoyancy component and adiabatic warming/cooling, and the turbulent mixing of momentum and heat. In this study, energetics of the Prandtl model is addressed in terms of the total energy (TE) concept. Furthermore, since the authors recently developed a weakly nonlinear version of the Prandtl model, the TE approach is also exercised on this extended model version, which includes an additional nonlinear term in the thermodynamic equation. Hence, interplay among diffusion, dissipation and temperature-wind interaction of the mean slope flow is further explored. The TE of the nonlinear Prandtl model is assessed in an ensemble of solutions where the Prandtl number, the slope angle and the nonlinearity parameter are perturbed. It is shown that nonlinear effects have the lowest impact on variability in the ensemble of solutions of the weakly nonlinear Prandtl model when compared to the other two governing parameters. The general behavior of the nonlinear solution is similar to the linear solution, except that the maximum of the along-the-slope wind speed in the nonlinear solution reduces for larger slopes. Also, the dominance of PE near the sloped surface, and the elevated maximum of KE in the linear and nonlinear energetics of the extended Prandtl model are found in the PASTEX-94 measurements. The corresponding level where KE>PE most likely marks the bottom of the sublayer subject to shear-driven instabilities. Finally, possible limitations of the weakly nonlinear solutions of the extended Prandtl model are raised. In linear solutions, the local storage of TE term is zero, reflecting the stationarity of solutions by definition. However, in nonlinear solutions, the diffusion, dissipation and interaction terms (where the height of the maximum interaction is proportional to the height of the low-level jet by the factor ≈4/9) do not balance and the local storage of TE attains non-zero values. In order to examine the issue of non-stationarity, the inclusion of velocity-pressure covariance in the momentum equation is suggested for future development of the extended Prandtl model.

Motion of small bodies in classical field theory

NASA Astrophysics Data System (ADS)

Gralla, Samuel E.

2010-04-01

I show how prior work with R. Wald on geodesic motion in general relativity can be generalized to classical field theories of a metric and other tensor fields on four-dimensional spacetime that (1) are second-order and (2) follow from a diffeomorphism-covariant Lagrangian. The approach is to consider a one-parameter-family of solutions to the field equations satisfying certain assumptions designed to reflect the existence of a body whose size, mass, and various charges are simultaneously scaled to zero. (That such solutions exist places a further restriction on the class of theories to which our results apply.) Assumptions are made only on the spacetime region outside of the body, so that the results apply independent of the body’s composition (and, e.g., black holes are allowed). The worldline “left behind” by the shrinking, disappearing body is interpreted as its lowest-order motion. An equation for this worldline follows from the “Bianchi identity” for the theory, without use of any properties of the field equations beyond their being second-order. The form of the force law for a theory therefore depends only on the ranks of its various tensor fields; the detailed properties of the field equations are relevant only for determining the charges for a particular body (which are the “monopoles” of its exterior fields in a suitable limiting sense). I explicitly derive the force law (and mass-evolution law) in the case of scalar and vector fields, and give the recipe in the higher-rank case. Note that the vector force law is quite complicated, simplifying to the Lorentz force law only in the presence of the Maxwell gauge symmetry. Example applications of the results are the motion of “chameleon” bodies beyond the Newtonian limit, and the motion of bodies in (classical) non-Abelian gauge theory. I also make some comments on the role that scaling plays in the appearance of universality in the motion of bodies.

Bonding of Alkali-Alkaline Earth Molecules in the Lowest Σ^+ States of Doublet and Quartet Multiplicity

NASA Astrophysics Data System (ADS)

Pototschnig, Johann V.; Hauser, Andreas W.; Ernst, Wolfgang E.

2016-06-01

n the present study the ground state as well as the lowest ^4Σ^+ state were determined for 16 AK-AKE molecules. Multireference configuration interaction calculations were carried out in order to understand the bonding of diatomic alkali-alkaline earth (AK-AKE) molecules. The correlations between molecular properties (disociation energy, bond distances, electric dipole moment) and atomic properties (electronegativity, polarizability) will be discussed. A correlation between the dissociation energy and the dipole moment of the lowest ^4Σ^+ state was observed, while the dipole moment of the lowest ^2Σ^+ state does not show such a simple dependency. In this case an empirical relation could be established. The class of AK-AKE molecules was selected for this investigation due to their possible applications in ultracold molecular physics. J. V. Pototschnig, A. W. Hauser and W. E. Ernst, Phys. Chem. Chem. Phys., 2016,18, 5964-5973

The Effect of Water Hardness on Mortality of Zebrafish (Danio rerio) During Exposure to Oxytetracycline.

PubMed

Hundt, Matthias; Schreiber, Benjamin; Eckmann, Reiner; Lunestad, Bjørn Tore; Wünneman, Hannah; Schulz, Ralf

2016-02-01

Marking of fish otoliths with oxytetracycline and tetracycline is a widely used method to evaluate the effectiveness of stocking operations. Available protocols for the labeling of fish specify a number of factors influencing mark quality and potential risk for fish during marking. This study investigates the influence of water hardness on mortality of freshwater fish during marking with OTC. In order to pursue this question complexation of OTC with Mg(2+) and Ca(2+) cations was measured spectrophotometrically. Furthermore, zebrafish (Danio rerio) were immersed in OTC solutions (1200 mg/L; 48 h immersion) combined with varying levels of water hardness (5.5, 15.5, 25.5, 32.5°dH). The amount of OTC-Mg-Ca-complexes was positively correlated to water hardness. Moreover, it could be demonstrated that mortality of zebrafish during marking varied as a factor of water hardness. Highest mortalities occurred at the lowest (5.5°dH) and the highest (32.5°dH) tested levels during marking with OTC.

Space Radiation Transport Methods Development

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Tripathi, R. K.; Qualls, G. D.; Cucinotta, F. A.; Prael, R. E.; Norbury, J. W.; Heinbockel, J. H.; Tweed, J.

2002-01-01

Improved spacecraft shield design requires early entry of radiation constraints into the design process to maximize performance and minimize costs. As a result, we have been investigating high-speed computational procedures to allow shield analysis from the preliminary design concepts to the final design. In particular, we will discuss the progress towards a full three-dimensional and computationally efficient deterministic code for which the current HZETRN evaluates the lowest order asymptotic term. HZETRN is the first deterministic solution to the Boltzmann equation allowing field mapping within the International Space Station (ISS) in tens of minutes using standard Finite Element Method (FEM) geometry common to engineering design practice enabling development of integrated multidisciplinary design optimization methods. A single ray trace in ISS FEM geometry requires 14 milliseconds and severely limits application of Monte Carlo methods to such engineering models. A potential means of improving the Monte Carlo efficiency in coupling to spacecraft geometry is given in terms of reconfigurable computing and could be utilized in the final design as verification of the deterministic method optimized design.

On the Q-dependence of the lowest-order QED corrections and other properties of the ground 11S-states in the two-electron ions

NASA Astrophysics Data System (ADS)

Frolov, Alexei M.

2015-10-01

Formulas and expectation values which are need to determine the lowest-order QED corrections (∼α3) and corresponding recoil (or finite mass) corrections in the two-electron helium-like ions are presented. Other important properties of the two-electron ions are also determined to high accuracy, including the expectation values of the quasi-singular Vinti operator and < reN-2> and < ree-2> expectation values. Elastic scattering of fast electrons by the two-electron ions in the Born approximation is considered. Interpolation formulas are derived for the bound state properties of the two-electron ions as the function of the nuclear electric charge Q.

Quaternary ammonium promoted ultra selective and sensitive fluorescence detection of fluoride ion in water and living cells.

PubMed

Li, Long; Ji, Yuzhuo; Tang, Xinjing

2014-10-21

Highly selective and sensitive fluorescent probes with a quaternary ammonium moiety have been rationally designed and developed for fast and sensitive fluorescence detection of fluoride ion (F(-) from NaF, not TBAF) in aqueous solution and living cells. With the sequestration effect of quaternary ammonium, the detection time was less than 2 min and the detection limit of fluoride ion was as low as 0.57 ppm that is among the lowest detection limits in aqueous solutions of many fluoride fluorescence probes in the literature.

Periodic and rational solutions of the reduced Maxwell-Bloch equations

NASA Astrophysics Data System (ADS)

Wei, Jiao; Wang, Xin; Geng, Xianguo

2018-06-01

We investigate the reduced Maxwell-Bloch (RMB) equations which describe the propagation of short optical pulses in dielectric materials with resonant non-degenerate transitions. The general Nth-order periodic solutions are provided by means of the Darboux transformation. The Nth-order degenerate periodic and Nth-order rational solutions containing several free parameters with compact determinant representations are derived from two different limiting cases of the obtained general periodic solutions, respectively. Explicit expressions of these solutions from first to second order are presented. Typical nonlinear wave patterns for the four components of the RMB equations such as single-peak, double-peak-double-dip, double-peak and single-dip structures in the second-order rational solutions are shown. This kind of the rational solutions correspond to rogue waves in the reduced Maxwell-Bloch equations.

Treatment with activated carbon and other adsorbents as an effective method for the removal of volatile compounds in agricultural distillates.

PubMed

Balcerek, Maria; Pielech-Przybylska, Katarzyna; Patelski, Piotr; Dziekońska-Kubczak, Urszula; Jusel, Tomaš

2017-05-01

This study investigates the effect of treatment with activated carbon and other adsorbents on the chemical composition and organoleptics of a barley malt-based agricultural distillate. Contact with activated carbon is one of the methods by which the quality of raw distillates and spirit beverages can be improved. Samples placed in contact with 1 g activated carbon (SpiritFerm) per 100 ml distillate with ethanol content of 50% v/v for 1 h showed the largest reductions in the concentrations of most volatile compounds (aldehydes, alcohols, esters). Increasing the dose of adsorbent to over 1 g 100 ml -1 did not improve the purity of the agricultural distillate significantly. Of the tested compounds, acetaldehyde and methanol showed the lowest adsorption on activated carbon. The lowest concentrations of these congeners (expressed in mg l -1 alcohol 100% v/v) were measured in solutions with ethanol contents of 70-80% v/v, while solutions with an alcoholic strength by volume of 40% did not show statistically significant decreases in these compounds in relation the control sample. The reductions in volatile compounds were compared with those for other adsorbents based on silica or activated carbon and silica. An interesting alternative to activated carbon was found to be an adsorbent prepared from activated carbon and silica (Spiricol). Treatment with this adsorbent produced distillate with the lowest concentrations of acetaldehyde and isovaleraldehyde, and led to the greatest improvement in its organoleptics.

On the growth of solutions of a class of higher order linear differential equations with coefficients having the same order

NASA Astrophysics Data System (ADS)

Tu, Jin; Yi, Cai-Feng

2008-04-01

In this paper, the authors investigate the growth of solutions of a class of higher order linear differential equationsf(k)+Ak-1f(k-1)+...+A0f=0 when most coefficients in the above equations have the same order with each other, and obtain some results which improve previous results due to K.H. Kwon [K.H. Kwon, Nonexistence of finite order solutions of certain second order linear differential equations, Kodai Math. J. 19 (1996) 378-387] and ZE-X. Chen [Z.-X. Chen, The growth of solutions of the differential equation f''+e-zf'+Q(z)f=0, Sci. China Ser. A 31 (2001) 775-784 (in Chinese); ZE-X. Chen, On the hyper order of solutions of higher order differential equations, Chinese Ann. Math. Ser. B 24 (2003) 501-508 (in Chinese); Z.-X. Chen, On the growth of solutions of a class of higher order differential equations, Acta Math. Sci. Ser. B 24 (2004) 52-60 (in Chinese); Z.-X. Chen, C.-C. Yang, Quantitative estimations on the zeros and growth of entire solutions of linear differential equations, Complex Var. 42 (2000) 119-133].

Application of matched asymptotic expansions to lunar and interplanetary trajectories. Volume 2: Derivations of second-order asymptotic boundary value solutions

NASA Technical Reports Server (NTRS)

Lancaster, J. E.

1973-01-01

Previously published asymptotic solutions for lunar and interplanetery trajectories have been modified and combined to formulate a general analytical solution to the problem of N-bodies. The earlier first-order solutions, derived by the method of matched asymptotic expansions, have been extended to second order for the purpose of obtaining increased accuracy. The complete derivation of the second-order solution, including the application of a regorous matching principle, is given. It is shown that the outer and inner expansions can be matched in a region of order mu to the alpha power, where 2/5 alpha 1/2, and mu (the moon/earth or planet/sun mass ratio) is much less than one. The second-order asymptotic solution has been used as a basis for formulating a number of analytical two-point boundary value solutions. These include earth-to-moon, one- and two-impulse moon-to-Earth, and interplanetary solutions. Each is presented as an explicit analytical solution which does not require iterative steps to satisfy the boundary conditions. The complete derivation of each solution is shown, as well as instructions for numerical evaluation. For Vol. 1, see N73-27738.

On the magnetic circular dichroism of benzene. A density-functional study

NASA Astrophysics Data System (ADS)

Kaminský, Jakub; Kříž, Jan; Bouř, Petr

2017-04-01

Spectroscopy of magnetic circular dichroism (MCD) provides enhanced information on molecular structure and a more reliable assignment of spectral bands than absorption alone. Theoretical modeling can significantly enhance the information obtained from experimental spectra. In the present study, the time dependent density functional theory is employed to model the lowest-energy benzene transitions, in particular to investigate the role of the Rydberg states and vibrational interference in spectral intensities. The effect of solvent is explored on model benzene-methane clusters. For the lowest-energy excitation, the vibrational sub-structure of absorption and MCD spectra is modeled within the harmonic approximation, providing a very good agreement with the experiment. The simulations demonstrate that the Rydberg states have a much stronger effect on the MCD intensities than on the absorption, and a very diffuse basis set must be used to obtain reliable results. The modeling also indicates that the Rydberg-like states and associated transitions may persist in solutions. Continuum-like solvent models are thus not suitable for their modeling; solvent-solute clusters appear to be more appropriate, providing they are large enough.

General high-order breathers and rogue waves in the (3 + 1) -dimensional KP-Boussinesq equation

NASA Astrophysics Data System (ADS)

Sun, Baonan; Wazwaz, Abdul-Majid

2018-11-01

In this work, we investigate the (3 + 1) -dimensional KP-Boussinesq equation, which can be used to describe the nonlinear dynamic behavior in scientific and engineering applications. We derive general high-order soliton solutions by using the Hirota's bilinear method combined with the perturbation expansion technique. We also obtain periodic solutions comprising of high-order breathers, periodic line waves, and mixed solutions consisting of breathers and periodic line waves upon selecting particular parameter constraints of the obtained soliton solutions. Furthermore, smooth rational solutions are generated by taking a long wave limit of the soliton solutions. These smooth rational solutions include high-order rogue waves, high-order lumps, and hybrid solutions consisting of lumps and line rogue waves. To better understand the dynamical behaviors of these solutions, we discuss some illustrative graphical analyses. It is expected that our results can enrich the dynamical behavior of the (3 + 1) -dimensional nonlinear evolution equations of other forms.

The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO-NOH system: energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions.

PubMed

Bozkaya, Uğur; Turney, Justin M; Yamaguchi, Yukio; Schaefer, Henry F

2012-04-28

The lowest-lying electronic singlet and triplet potential energy surfaces (PES) for the HNO-NOH system have been investigated employing high level ab initio quantum chemical methods. The reaction energies and barriers have been predicted for two isomerization and four dissociation reactions. Total energies are extrapolated to the complete basis set limit applying focal point analyses. Anharmonic zero-point vibrational energies, diagonal Born-Oppenheimer corrections, relativistic effects, and core correlation corrections are also taken into account. On the singlet PES, the (1)HNO → (1)NOH endothermicity including all corrections is predicted to be 42.23 ± 0.2 kcal mol(-1). For the barrierless decomposition of (1)HNO to H + NO, the dissociation energy is estimated to be 47.48 ± 0.2 kcal mol(-1). For (1)NOH → H + NO, the reaction endothermicity and barrier are 5.25 ± 0.2 and 7.88 ± 0.2 kcal mol(-1). On the triplet PES the reaction energy and barrier including all corrections are predicted to be 7.73 ± 0.2 and 39.31 ± 0.2 kcal mol(-1) for the isomerization reaction (3)HNO → (3)NOH. For the triplet dissociation reaction (to H + NO) the corresponding results are 29.03 ± 0.2 and 32.41 ± 0.2 kcal mol(-1). Analogous results are 21.30 ± 0.2 and 33.67 ± 0.2 kcal mol(-1) for the dissociation reaction of (3)NOH (to H + NO). Unimolecular rate constants for the isomerization and dissociation reactions were obtained utilizing kinetic modeling methods. The tunneling and kinetic isotope effects are also investigated for these reactions. The adiabatic singlet-triplet energy splittings are predicted to be 18.45 ± 0.2 and 16.05 ± 0.2 kcal mol(-1) for HNO and NOH, respectively. Kinetic analyses based on solution of simultaneous first-order ordinary-differential rate equations demonstrate that the singlet NOH molecule will be difficult to prepare at room temperature, while the triplet NOH molecule is viable with respect to isomerization and dissociation reactions up to 400 K. Hence, our theoretical findings clearly explain why (1)NOH has not yet been observed experimentally.

General solution of the Bagley-Torvik equation with fractional-order derivative

NASA Astrophysics Data System (ADS)

Wang, Z. H.; Wang, X.

2010-05-01

This paper investigates the general solution of the Bagley-Torvik equation with 1/2-order derivative or 3/2-order derivative. This fractional-order differential equation is changed into a sequential fractional-order differential equation (SFDE) with constant coefficients. Then the general solution of the SFDE is expressed as the linear combination of fundamental solutions that are in terms of α-exponential functions, a kind of functions that play the same role of the classical exponential function. Because the number of fundamental solutions of the SFDE is greater than 2, the general solution of the SFDE depends on more than two free (independent) constants. This paper shows that the general solution of the Bagley-Torvik equation involves actually two free constants only, and it can be determined fully by the initial displacement and initial velocity.

Higher-order harmonics of general limited diffraction Bessel beams

NASA Astrophysics Data System (ADS)

Ding, De-Sheng; Huang, Jin-Huang

2016-12-01

In this paper, we extensively study the higher-order harmonic generation of the general limited diffraction m-th-order Bessel beam. The analysis is based on successive approximations of the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation. Asymptotic expansions are presented for higher-order harmonic Bessel beams in near and far fields. The validity of asymptotic approximation is also analyzed. The higher-order harmonic of the Bessel beam with the lowest zero-order is taken as a special example. Project supported by the National Natural Science Foundation of China (Grant Nos. 11074038 and 11374051).

Coherent electron emission beyond Young-type interference from diatomic molecules

NASA Astrophysics Data System (ADS)

Agueny, H.; Makhoute, A.; Dubois, A.; Hansen, J. P.

2016-01-01

It has been known for more than 15 years that the differential cross section of electrons emitted from diatomic molecules during interaction with energetic charged particles oscillates as a function of electron momentum. The origin of the phenomenon is two-center interference, which naturally relates it back to the Young double-slit experiment. In addition to a characteristic frequency which can be described by lowest-order perturbation theories, the observation and origin of higher-order harmonics of the basic oscillation frequency has been much discussed. Here, we show that high harmonics of the fundamental Young-type oscillation frequency observed in electron spectra in fast ion-molecule collisions can be clearly exposed in numerical solutions of the time-dependent Schrödinger equation within a one-dimensional model. Momentum distribution of the ejected electron is analyzed and shows that the phenomenon emerges when the charged particle beam collides with diatomic molecules with substantial large internuclear distance. Frequency spectra from nonperturbative calculations for electron emission from Rb2+ and Cs2+ exhibit a pronounced high-order oscillation in contrast to similar close-coupling calculations performed on H2 targets. The electron emission from these heavy molecules contains second- and third-order harmonics which are fully reproduced in an analytic model based on the Born series. Extending to triatomic molecular targets displays an increased range of harmonics. This suggests that electron emission spectra from new experiments on heavy diatomic and linear polyatomic molecular targets may provide a unique insight into competing coherent emission mechanisms and their relative strength.

Structural evolution study of 1-2 nm gold clusters

NASA Astrophysics Data System (ADS)

Beltrán, M. R.; Suárez Raspopov, R.; González, G.

2011-12-01

We have explored lowest energy minima structures of gold atom clusters both, charged and neutral (Aun^{ν}νn with n = 20, 28, 34, 38, 55, 75, 101, 146, 147, 192, 212 atoms and ν = 0, ±1). The structures have been obtained from first principles generalized gradient approximation, density functional theory (DFT) calculations based on norm-conserving pseudopotentials and numerical atomic basis sets. We have found two new disordered or defective isomers lower in energy than their ordered counterparts for n = 101, 147. The purpose of this work is to systematically study the difference between the electronic properties of the two lowest ordered and disordered isomers for each size. Our results agree with previous first principle calculations and with some recent experimental results (Au20 and Au101). For each case we report total energies, binding energies, ionization potentials, electron affinities, density of states, highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gaps, Housdorff chirality measure index and their simulated image in a high resolution transmission electron microscopy (HRTEM). The calculated properties of the two low lying (ordered and disordered) isomers show clear differences as to be singled out in a suitable experimental setting. An extensive discussion on the evolution with size of the cohesive energy, the ionization potentials, the electron affinities, the HOMO-LUMO gaps and their index of chirality to determine the crossover between them is given.

Validation of a multi-layer Green's function code for ion beam transport

NASA Astrophysics Data System (ADS)

Walker, Steven; Tweed, John; Tripathi, Ram; Badavi, Francis F.; Miller, Jack; Zeitlin, Cary; Heilbronn, Lawrence

To meet the challenge of future deep space programs, an accurate and efficient engineering code for analyzing the shielding requirements against high-energy galactic heavy radiations is needed. In consequence, a new version of the HZETRN code capable of simulating high charge and energy (HZE) ions with either laboratory or space boundary conditions is currently under development. The new code, GRNTRN, is based on a Green's function approach to the solution of Boltzmann's transport equation and like its predecessor is deterministic in nature. The computational model consists of the lowest order asymptotic approximation followed by a Neumann series expansion with non-perturbative corrections. The physical description includes energy loss with straggling, nuclear attenuation, nuclear fragmentation with energy dispersion and down shift. Code validation in the laboratory environment is addressed by showing that GRNTRN accurately predicts energy loss spectra as measured by solid-state detectors in ion beam experiments with multi-layer targets. In order to validate the code with space boundary conditions, measured particle fluences are propagated through several thicknesses of shielding using both GRNTRN and the current version of HZETRN. The excellent agreement obtained indicates that GRNTRN accurately models the propagation of HZE ions in the space environment as well as in laboratory settings and also provides verification of the HZETRN propagator.

Quantum resonances and regularity islands in quantum maps

PubMed

Sokolov; Zhirov; Alonso; Casati

2000-05-01

We study analytically as well as numerically the dynamics of a quantum map near a quantum resonance of an order q. The map is embedded into a continuous unitary transformation generated by a time-independent quasi-Hamiltonian. Such a Hamiltonian generates at the very point of the resonance a local gauge transformation described by the unitary unimodular group SU(q). The resonant energy growth is attributed to the zero Liouville eigenmodes of the generator in the adjoint representation of the group while the nonzero modes yield saturating with time contribution. In a vicinity of a given resonance, the quasi-Hamiltonian is then found in the form of power expansion with respect to the detuning from the resonance. The problem is related in this way to the motion along a circle in a (q2 - 1)-component inhomogeneous "magnetic" field of a quantum particle with q intrinsic degrees of freedom described by the SU(q) group. This motion is in parallel with the classical phase oscillations near a nonlinear resonance. The most important role is played by the resonances with the orders much smaller than the typical localization length q < l. Such resonances master for exponentially long though finite times the motion in some domains around them. Explicit analytical solution is possible for a few lowest and strongest resonances.

Explaining rISC and 100% efficient TADF (Conference Presentation)

NASA Astrophysics Data System (ADS)

Monkman, Andrew P.; Etherington, Marc; Graves, David; Data, Przemyslaw; Dos Santos, Paloma Lays; Nobuyasu, Roberto; Baiao Dias, Fernando M.

2016-09-01

Detailed photophysical measurements of intramolecular charge transfer (ICT) states have been made both in solution and solid state. Temperature dependent time resolved emission, delayed emission and photoinduced absorption are used to map the energy levels involved in molecule decay, and through detailed kinetic modelling of the thermally activated processes observed, true electron exchange energies and other energy barriers of the systems determined with the real states involved in the reversed intersystem crossing mechanism elucidated. For specific donor acceptor molecules, the CT singlet and local triplet states (of donor or acceptor) are found to be the lowest lying excited states of the molecule with very small energy barrier between them ? kT. In these cases the decay kinetics of the molecules become significantly different to normal molecules, and the effect of rapid recycling between CT singlet and local triplet states is observed which gives rise to the true triplet harvesting mechanism in TADF. Using a series of different TADF emitters we will show how the energy level ordering effects or does not effect TADF and how ultimate OLED performance is dictated by energy level ordering, from 5% to 22% external quantum efficiency. From this understanding, we are able to define three criterion for TADF in different molecules and these will be discussed.

Therapeutic effects of transdermal systems containing zinc-related materials on thermal burn rats.

PubMed

Otsuka, Makoto; Hatakeyama, Haruna; Shikamura, Masayuki; Otsuka, Kuniko; Ito, Atsuo

2015-01-01

The aim of the present study is to evaluate the efficacy of slow zinc (Zn) release from β-tricalcium phosphate powder (ZnTCP) containing 10 mol% Zn on rats with thermal burns. The first-aid tapes were contained zinc sulfate (ZnSO4) solution, ZnTCP suspensions or zinc oxide ointment. After thermal burn treatments were performed on Zn-deficient rats, the groups D1, D2 and D3 were treated with tapes containing ZnTCP, ZnSO4 and zinc oxide ointment. The effects of the tapes on wound area, plasma Zn levels and alkaline phosphatase activity (Alp) were investigated. The wound area profiles of all rat groups could be separated into before and after the scab formation at around day 6. The area under the curve (Aw-AUC) for wound area profiles, therefore, was evaluated as an index of therapeutic scores for the thermal wound. The order of Aw-AUC was D3>C>D2>D1. The degree of expansion at the initial stage by thermal burns of group D1 was the lowest and that of group D2 was the highest, and the order was D1

Comparison of fluorescence-based methods to determine nanoparticle uptake by phagocytes and non-phagocytic cells in vitro

PubMed Central

Claudia, Meindl; Kristin, Öhlinger; Jennifer, Ober; Eva, Roblegg; Eleonore, Fröhlich

2017-01-01

At many portals of entry the relative uptake by phagocytes and non-phagocytic cells has a prominent effect on availability and biological action of nanoparticles (NPs). Cellular uptake can be determined for fluorescence-labeled NPs. The present study compares three methods (plate reader, flow cytometry and image analysis) in order to investigate the influence of particle size and functionalization and medium content on cellular uptake of fluorescence–labeled polystyrene particles and to study the respective method’s suitability for uptake studies. For comparison between the techniques, ratios of macrophage to alveolar epithelial cell uptakes were used. Presence of serum protein in the exposure solution decreased uptake of carboxyl-functionalized and non-functionalized particles; there was no clear effect for the amine-functionalized particles. The 200 nm non- or carboxyl-functionalized NPs were taken up preferentially by phagocytes while for amine-functionalized particles preference was lowest. The presence of the serum slightly increased the preference for these particles. In conclusion, due to the possibility of calibration, plate reader measurements might present a better option than the other techniques to (semi)quantify differences between phagocytes and non-phagocytic cells for particles with different fluorescence. In order to obtain unbiased data the fluorescent labeling has to fulfill certain requirements. PMID:28065592

Application of matched asymptotic expansions to lunar and interplanetary trajectories. Volume 1: Technical discussion

NASA Technical Reports Server (NTRS)

Lancaster, J. E.

1973-01-01

Previously published asymptotic solutions for lunar and interplanetary trajectories have been modified and combined to formulate a general analytical solution to the problem on N-bodies. The earlier first-order solutions, derived by the method of matched asymptotic expansions, have been extended to second order for the purpose of obtaining increased accuracy. The derivation of the second-order solution is summarized by showing the essential steps, some in functional form. The general asymptotic solution has been used as a basis for formulating a number of analytical two-point boundary value solutions. These include earth-to-moon, one- and two-impulse moon-to-earth, and interplanetary solutions. The results show that the accuracies of the asymptotic solutions range from an order of magnitude better than conic approximations to that of numerical integration itself. Also, since no iterations are required, the asymptotic boundary value solutions are obtained in a fraction of the time required for comparable numerically integrated solutions. The subject of minimizing the second-order error is discussed, and recommendations made for further work directed toward achieving a uniform accuracy in all applications.

Twenty-Eighth Annual Rank-Order Distribution of Administrative Salaries Paid, 1994-95.

ERIC Educational Resources Information Center

Arkansas Univ., Fayetteville. Office of Institutional Research.

This report presents comparative data collected from 103 state-supported universities or university systems in 47 states, and 38 university systems representing 30 states, on the administrative salaries they paid in 1994-95. The salaries are presented in rank-order (from highest to lowest) to facilitate comparisons of a participant's relative…

Thirtieth Annual Rank-Order Distribution of Administrative Salaries Paid, 1996-97.

ERIC Educational Resources Information Center

Arkansas Univ., Fayetteville. Office of Institutional Research.

This report presents comparative data collected from 87 state-supported universities in 45 states, and 27 university systems representing 21 states, on the administrative salaries they paid in 1996-97. The salaries are presented in rank-order (from highest to lowest) to facilitate comparisons of a participant's relative standing with other…

Twenty-Ninth Annual Rank-Order Distribution of Administrative Salaries Paid, 1995-96.

ERIC Educational Resources Information Center

Arkansas Univ., Fayetteville. Office of Institutional Research.

This report presents comparative data collected from 98 state-supported universities in 47 states, and 38 university systems representing 30 states, on the administrative salaries they paid in 1994-95. The salaries are presented in rank-order (from highest to lowest) to facilitate comparisons of a participant's relative standing with other…

Insights and possible resolution to the information loss paradox via the tunneling picture

NASA Astrophysics Data System (ADS)

Singleton, Douglas; Vagenas, Elias C.; Zhu, Tao; Ren, Ji-Rong

2010-08-01

This paper investigates the information loss paradox in the WKB/tunneling picture of Hawking radiation. In the tunneling picture one can obtain the tunneling amplitude to all orders in ℏ. However all terms beyond the lowest, semi-classical term involve unknown constants. Despite this we find that one can still arrive at interesting restrictions on Hawking radiation to all orders in ℏ: (i) Taking into account only quantum corrections the spectrum remains thermal to all orders. Thus quantum corrections by themselves will not resolve the information loss paradox. (ii) The quantum corrections do imply that the temperature of the radiation goes to zero as the mass of the black hole goes to zero. This is in contrast to the lowest order result where the radiation temperature diverges as the mass of the black hole goes to zero. (iii) Finally we show that by taking both quantum corrections and back reaction into account it is possible under specific conditions to solve the information paradox by having the black hole evaporate completely with the information carried away by the correlations of the outgoing radiation.

Removal of xylenol orange from its aqueous solution using SDS self-microemulsifying systems: optimization by Box-Behnken statistical design.

PubMed

Shakeel, Faiyaz; Haq, Nazrul; Alanazi, Fars K; Alsarra, Ibrahim A

2014-04-01

The aim of present study was to develop and evaluate sodium dodecyl sulfate (SDS) self-microemulsifying systems (SMES) for the removal of an anionic dye xylenol orange (XO) from its bulk aqueous media via liquid-liquid adsorption. The composition of SDS SMES was optimized by Box-Behnken statistical design for the maximum removal of XO from its aqueous solution. Various SDS formulations were prepared by spontaneous emulsification method and characterized for thermodynamic stability, self-microemulsification efficiency, droplet size, and viscosity. Adsorption studies were conducted at 8, 16, and 24 h by mixing small amounts of SDS formulations with relatively large amounts of bulk aqueous solution of XO. Droplet size and viscosity of SDS formulations were significantly influenced by oil phase concentration (triacetin), while surfactant concentration had little impact on droplet size and viscosity. However, the percentage of removal of XO was influenced by triacetin concentration, surfactant concentration, and adsorption time. Based on lowest droplet size (35.97 nm), lowest viscosity (29.62 cp), and highest percentage of removal efficiency (89.77 %), formulation F14, containing 2 % w/w of triacetin and 40 % w/w of surfactant mixture (20 % w/w of SDS and 20 % w/w of polyethylene glycol 400), was selected as an optimized formulation for the removal of XO from its bulk aqueous media after 16 h. These results indicated that SDS SMES could be suitable alternates of solid-liquid adsorption for the removal of toxic dyes such as XO from its aqueous solution through liquid-liquid adsorption.

Formation of Indium-Doped Zinc Oxide Thin Films Using Ultrasonic Spray Pyrolysis: The Importance of the Water Content in the Aerosol Solution and the Substrate Temperature for Enhancing Electrical Transport.

PubMed

Biswal, Rajesh; Castañeda, Luis; Moctezuma, Rosario; Vega-Pérez, Jaime; Olvera, María De La Luz; Maldonado, Arturo

2012-03-12

Indium doped zinc oxide [ZnO:In] thin films have been deposited at 430°C on soda-lime glass substrates by the chemical spray technique, starting from zinc acetate and indium acetate. Pulverization of the solution was done by ultrasonic excitation. The variations in the electrical, structural, optical, and morphological characteristics of ZnO:In thin films, as a function of both the water content in the starting solution and the substrate temperature, were studied. The electrical resistivity of ZnO:In thin films is not significantly affected with the increase in the water content, up to 200 mL/L; further increase in water content causes an increase in the resistivity of the films. All films show a polycrystalline character, fitting well with the hexagonal ZnO wurtzite-type structure. No preferential growth in samples deposited with the lowest water content was observed, whereas an increase in water content gave rise to a (002) growth. The surface morphology of the films shows a consistency with structure results, as non-geometrical shaped round grains were observed in the case of films deposited with the lowest water content, whereas hexagonal slices, with a wide size distribution were observed in the other cases. In addition, films deposited with the highest water content show a narrow size distribution.

A new solution method for wheel/rail rolling contact.

PubMed

Yang, Jian; Song, Hua; Fu, Lihua; Wang, Meng; Li, Wei

2016-01-01

To solve the problem of wheel/rail rolling contact of nonlinear steady-state curving, a three-dimensional transient finite element (FE) model is developed by the explicit software ANSYS/LS-DYNA. To improve the solving speed and efficiency, an explicit-explicit order solution method is put forward based on analysis of the features of implicit and explicit algorithm. The solution method was first applied to calculate the pre-loading of wheel/rail rolling contact with explicit algorithm, and then the results became the initial conditions in solving the dynamic process of wheel/rail rolling contact with explicit algorithm as well. Simultaneously, the common implicit-explicit order solution method is used to solve the FE model. Results show that the explicit-explicit order solution method has faster operation speed and higher efficiency than the implicit-explicit order solution method while the solution accuracy is almost the same. Hence, the explicit-explicit order solution method is more suitable for the wheel/rail rolling contact model with large scale and high nonlinearity.

Cell-centered high-order hyperbolic finite volume method for diffusion equation on unstructured grids

NASA Astrophysics Data System (ADS)

Lee, Euntaek; Ahn, Hyung Taek; Luo, Hong

2018-02-01

We apply a hyperbolic cell-centered finite volume method to solve a steady diffusion equation on unstructured meshes. This method, originally proposed by Nishikawa using a node-centered finite volume method, reformulates the elliptic nature of viscous fluxes into a set of augmented equations that makes the entire system hyperbolic. We introduce an efficient and accurate solution strategy for the cell-centered finite volume method. To obtain high-order accuracy for both solution and gradient variables, we use a successive order solution reconstruction: constant, linear, and quadratic (k-exact) reconstruction with an efficient reconstruction stencil, a so-called wrapping stencil. By the virtue of the cell-centered scheme, the source term evaluation was greatly simplified regardless of the solution order. For uniform schemes, we obtain the same order of accuracy, i.e., first, second, and third orders, for both the solution and its gradient variables. For hybrid schemes, recycling the gradient variable information for solution variable reconstruction makes one order of additional accuracy, i.e., second, third, and fourth orders, possible for the solution variable with less computational work than needed for uniform schemes. In general, the hyperbolic method can be an effective solution technique for diffusion problems, but instability is also observed for the discontinuous diffusion coefficient cases, which brings necessity for further investigation about the monotonicity preserving hyperbolic diffusion method.

Overload control of artificial gravity facility using spinning tether system for high eccentricity transfer orbits

NASA Astrophysics Data System (ADS)

Gou, Xing-wang; Li, Ai-jun; Tian, Hao-chang; Wang, Chang-qing; Lu, Hong-shi

2018-06-01

As the major part of space life supporting systems, artificial gravity requires further study before it becomes mature. Spinning tether system is a good alternative solution to provide artificial gravity for the whole spacecraft other than additional devices, and its longer tether length could significantly reduce spinning velocity and thus enhance comfortability. An approximated overload-based feedback method is proposed to provide estimated spinning velocity signals for controller, so that gravity level could be accurately controlled without complicated GPS modules. System behavior in high eccentricity transfer orbits is also studied to give a complete knowledge of the spinning stabilities. The application range of the proposed method is studied in various orbit cases and spinning velocities, indicating that it is accurate and reliable for most of the mission phases especially for the final constant gravity level phase. In order to provide stable gravity level for transfer orbit missions, a sliding mode controller based on estimated angular signals is designed for closed-loop control. Numerical results indicate that the combination of overload-based feedback and sliding mode controller could satisfy most of the long-term artificial gravity missions. It is capable of forming flexible gravity environment in relatively good accuracy even in the lowest possible orbital radiuses and high eccentricity orbits of crewed space missions. The proposed scheme provides an effective tether solution for the artificial gravity construction in interstellar travel.

Fredholm and Wronskian representations of solutions to the KPI equation and multi-rogue waves

NASA Astrophysics Data System (ADS)

Gaillard, Pierre

2016-06-01

We construct solutions to the Kadomtsev-Petviashvili equation (KPI) in terms of Fredholm determinants. We deduce solutions written as a quotient of Wronskians of order 2N. These solutions, called solutions of order N, depend on 2N - 1 parameters. When one of these parameters tends to zero, we obtain N order rational solutions expressed as a quotient of two polynomials of degree 2N(N + 1) in x, y, and t depending on 2N - 2 parameters. So we get with this method an infinite hierarchy of solutions to the KPI equation.

Inflationary dynamics for matrix eigenvalue problems

PubMed Central

Heller, Eric J.; Kaplan, Lev; Pollmann, Frank

2008-01-01

Many fields of science and engineering require finding eigenvalues and eigenvectors of large matrices. The solutions can represent oscillatory modes of a bridge, a violin, the disposition of electrons around an atom or molecule, the acoustic modes of a concert hall, or hundreds of other physical quantities. Often only the few eigenpairs with the lowest or highest frequency (extremal solutions) are needed. Methods that have been developed over the past 60 years to solve such problems include the Lanczos algorithm, Jacobi–Davidson techniques, and the conjugate gradient method. Here, we present a way to solve the extremal eigenvalue/eigenvector problem, turning it into a nonlinear classical mechanical system with a modified Lagrangian constraint. The constraint induces exponential inflationary growth of the desired extremal solutions. PMID:18511564

Near-optimal strategies for sub-decimeter satellite tracking with GPS

NASA Technical Reports Server (NTRS)

Yunck, Thomas P.; Wu, Sien-Chong; Wu, Jiun-Tsong

1986-01-01

Decimeter tracking of low Earth orbiters using differential Global Positioning System (GPS) techniques is discussed. A precisely known global network of GPS ground receivers and a receiver aboard the user satellite are needed, and all techniques simultaneously estimate the user and GPS satellite orbits. Strategies include a purely geometric, a fully dynamic, and a hybrid strategy. The last combines dynamic GPS solutions with a geometric user solution. Two powerful extensions of the hybrid strategy show the most promise. The first uses an optimized synthesis of dynamics and geometry in the user solution, while the second uses a gravity adjustment method to exploit data from repeat ground tracks. These techniques promise to deliver subdecimeter accuracy down to the lowest satellite altitudes.

New optimization strategies of pavement maintenance: A case study for national road network in Indonesia using integrated road management system

NASA Astrophysics Data System (ADS)

Hamdi, Hadiwardoyo, Sigit P.; Correia, A. Gomes; Pereira, Paulo

2017-06-01

A road network requires timely maintenance to keep the road surface in good condition onward better services to improve accessibility and mobility. Strategies and maintenance techniques must be chosen in order to maximize road service level through cost-effective interventions. This approach requires an updated database, which the road network in Indonesia is supported by a manual and visual survey, also using NAASRA profiler. Furthermore, in this paper, the deterministic model of deterioration was used. This optimization model uses life cycle cost analysis (LCCA), applied in an integrated manner, using IRI indicator, and allows determining the priority of treatment, type of treatment and its relation to the cost. The purpose of this paper was focussed on the aspects of road maintenance management, i.e., maintenance optimization models for different levels of traffic and various initial of road distress conditions on the national road network in Indonesia. The implementation of Integrated Road Management System (IRMS) can provide a solution to the problem of cost constraints in the maintenance of the national road network. The results from this study found that as the lowest as agency cost, it will affect the increasing of user cost. With the achievement of the target plan scenario Pl000 with initial value IRI 2, it was found that the routine management throughout the year and in early reconstruction and periodic maintenance with a 30 mm thick overlay, will simultaneously provide a higher net benefit value and has the lowest total cost of transportation.

Effect of caries infiltration technique and fluoride therapy on the colour masking of white spot lesions.

PubMed

Rocha Gomes Torres, Carlos; Borges, Alessandra Buhler; Torres, Luciana Marcondes Sarmento; Gomes, Isabela Silva; de Oliveira, Rodrigo Simões

2011-03-01

A carious lesion is initiated through the subsurface demineralization of enamel, and presents clinically as a white spot, interfering with the aesthetics. This lesion should not receive restorative treatment because it is capable of remineralization. The aim of this study was to evaluate the performance of different treatments on masking white spot lesions by assessing the colour change. Artificial white spot lesions were produced in bovine enamel of 60 cylindrical-shaped samples. The samples were randomly divided into four groups: CON (control) - immersion in artificial saliva; DF - daily application of 0.05% fluoride solution; WF - weekly application of 2% fluoride gel; and IC - resin infiltration (Icon(®) - DMG). The assessment of colour was performed by a spectrophotometer in four distinct stages: baseline, after the production of artificial caries; after 4 weeks; after 8 weeks; and after a new acid challenge. The ΔL values were calculated at each stage in relation to the baseline colour. The application of RM ANOVA revealed significant differences between the factors' treatment and time (p=0.001). For the interaction between factors there were no significant differences (p=0.27). The Tukey's test (p<0.05) was then applied and showed that the specimens treated with Icon(®) exhibited the lowest means, followed by Group DF, Group CON, and Group WF, in that order. Resin infiltration was proven to be an effective treatment for masking white spot lesions. Also, after a new acid challenge, the group infiltrated with low viscosity resin presented the lowest means of colour change. Copyright © 2011. Published by Elsevier Ltd.

``Sequence space soup'' of proteins and copolymers

NASA Astrophysics Data System (ADS)

Chan, Hue Sun; Dill, Ken A.

1991-09-01

To study the protein folding problem, we use exhaustive computer enumeration to explore ``sequence space soup,'' an imaginary solution containing the ``native'' conformations (i.e., of lowest free energy) under folding conditions, of every possible copolymer sequence. The model is of short self-avoiding chains of hydrophobic (H) and polar (P) monomers configured on the two-dimensional square lattice. By exhaustive enumeration, we identify all native structures for every possible sequence. We find that random sequences of H/P copolymers will bear striking resemblance to known proteins: Most sequences under folding conditions will be approximately as compact as known proteins, will have considerable amounts of secondary structure, and it is most probable that an arbitrary sequence will fold to a number of lowest free energy conformations that is of order one. In these respects, this simple model shows that proteinlike behavior should arise simply in copolymers in which one monomer type is highly solvent averse. It suggests that the structures and uniquenesses of native proteins are not consequences of having 20 different monomer types, or of unique properties of amino acid monomers with regard to special packing or interactions, and thus that simple copolymers might be designable to collapse to proteinlike structures and properties. A good strategy for designing a sequence to have a minimum possible number of native states is to strategically insert many P monomers. Thus known proteins may be marginally stable due to a balance: More H residues stabilize the desired native state, but more P residues prevent simultaneous stabilization of undesired native states.

Parallel goal-oriented adaptive finite element modeling for 3D electromagnetic exploration

NASA Astrophysics Data System (ADS)

Zhang, Y.; Key, K.; Ovall, J.; Holst, M.

2014-12-01

We present a parallel goal-oriented adaptive finite element method for accurate and efficient electromagnetic (EM) modeling of complex 3D structures. An unstructured tetrahedral mesh allows this approach to accommodate arbitrarily complex 3D conductivity variations and a priori known boundaries. The total electric field is approximated by the lowest order linear curl-conforming shape functions and the discretized finite element equations are solved by a sparse LU factorization. Accuracy of the finite element solution is achieved through adaptive mesh refinement that is performed iteratively until the solution converges to the desired accuracy tolerance. Refinement is guided by a goal-oriented error estimator that uses a dual-weighted residual method to optimize the mesh for accurate EM responses at the locations of the EM receivers. As a result, the mesh refinement is highly efficient since it only targets the elements where the inaccuracy of the solution corrupts the response at the possibly distant locations of the EM receivers. We compare the accuracy and efficiency of two approaches for estimating the primary residual error required at the core of this method: one uses local element and inter-element residuals and the other relies on solving a global residual system using a hierarchical basis. For computational efficiency our method follows the Bank-Holst algorithm for parallelization, where solutions are computed in subdomains of the original model. To resolve the load-balancing problem, this approach applies a spectral bisection method to divide the entire model into subdomains that have approximately equal error and the same number of receivers. The finite element solutions are then computed in parallel with each subdomain carrying out goal-oriented adaptive mesh refinement independently. We validate the newly developed algorithm by comparison with controlled-source EM solutions for 1D layered models and with 2D results from our earlier 2D goal oriented adaptive refinement code named MARE2DEM. We demonstrate the performance and parallel scaling of this algorithm on a medium-scale computing cluster with a marine controlled-source EM example that includes a 3D array of receivers located over a 3D model that includes significant seafloor bathymetry variations and a heterogeneous subsurface.

Twenty-Seventh Annual Rank-Order Distribution of Administrative Salaries Paid, 1993-94.

ERIC Educational Resources Information Center

Arkansas Univ., Fayetteville. Office of Institutional Research.

This study presents comparative data collected from 85 state-supported universities or university systems in 45 states, and 35 university systems representing 28 states on the administrative salaries they paid in 1993-94. The salaries are presented in rank-order (from highest to lowest) to facilitate comparisons of a particular position's salary…

Minimize system cost by choosing optimal subsystem reliability and redundancy

NASA Technical Reports Server (NTRS)

Suich, Ronald C.; Patterson, Richard L.

1993-01-01

The basic question which we address in this paper is how to choose among competing subsystems. This paper utilizes both reliabilities and costs to find the subsystems with the lowest overall expected cost. The paper begins by reviewing some of the concepts of expected value. We then address the problem of choosing among several competing subsystems. These concepts are then applied to k-out-of-n: G subsystems. We illustrate the use of the authors' basic program in viewing a range of possible solutions for several different examples. We then discuss the implications of various solutions in these examples.

Acetone-based cellulose solvent.

PubMed

Kostag, Marc; Liebert, Tim; Heinze, Thomas

2014-08-01

Acetone containing tetraalkylammonium chloride is found to be an efficient solvent for cellulose. The addition of an amount of 10 mol% (based on acetone) of well-soluble salt triethyloctylammonium chloride (Et3 OctN Cl) adjusts the solvent's properties (increases the polarity) to promote cellulose dissolution. Cellulose solutions in acetone/Et3 OctN Cl have the lowest viscosity reported for comparable aprotic solutions making it a promising system for shaping processes and homogeneous chemical modification of the biopolymer. Recovery of the polymer and recycling of the solvent components can be easily achieved. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Equilibrium points, stability and numerical solutions of fractional-order predator-prey and rabies models

NASA Astrophysics Data System (ADS)

Ahmed, E.; El-Sayed, A. M. A.; El-Saka, H. A. A.

2007-01-01

In this paper we are concerned with the fractional-order predator-prey model and the fractional-order rabies model. Existence and uniqueness of solutions are proved. The stability of equilibrium points are studied. Numerical solutions of these models are given. An example is given where the equilibrium point is a centre for the integer order system but locally asymptotically stable for its fractional-order counterpart.

Static solutions for fourth order gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, William

2010-11-15

The Lichnerowicz and Israel theorems are extended to higher order theories of gravity. In particular it is shown that Schwarzschild is the unique spherically symmetric, static, asymptotically flat, black-hole solution, provided the spatial curvature is less than the quantum gravity scale outside the horizon. It is then shown that in the presence of matter (satisfying certain positivity requirements), the only static and asymptotically flat solutions of general relativity that are also solutions of higher order gravity are the vacuum solutions.

First-principles study of MoS2 and MoSe2 nanoclusters in the framework of evolutionary algorithm and density functional theory

NASA Astrophysics Data System (ADS)

Hashemi, Zohreh; Rafiezadeh, Shohreh; Hafizi, Roohollah; Hashemifar, S. Javad; Akbarzadeh, Hadi

2018-04-01

Evolutionary algorithm is combined with full-potential ab initio calculations to investigate conformational space of (MoS2)n and (MoSe2)n (n = 1-10) nanoclusters and to identify the lowest energy structural isomers of these systems. It is argued that within both BLYP and PBE functionals, these nanoclusters favor sandwiched planar configurations, similar to their ideal planar sheets. The second order difference in total energy (Δ2 E) of the lowest energy isomers is computed to estimate the abundance of the clusters at different sizes and to determine the magic sizes of (MoS2)n and (MoSe2)n nanoclusters. In order to investigate the electronic properties of nanoclusters, their energy gap is calculated by several methods, including hybrid functionals (B3LYP and PBE0), GW approach, and Δ scf method. At the end, the vibrational modes of the lowest lying isomers are calculated by using the force constants method and the IR active modes of the systems are identified. The vibrational spectra are used to calculate the Helmholtz free energy of the systems and then to investigate abundance of the nanoclusters at finite temperatures.

Exact solution for four-order acousto-optic Bragg diffraction with arbitrary initial conditions.

PubMed

Pieper, Ron; Koslover, Deborah; Poon, Ting-Chung

2009-03-01

An exact solution to the four-order acousto-optic (AO) Bragg diffraction problem with arbitrary initial conditions compatible with exact Bragg angle incident light is developed. The solution, obtained by solving a 4th-order differential equation, is formalized into a transition matrix operator predicting diffracted light orders at the exit of the AO cell in terms of the same diffracted light orders at the entrance. It is shown that the transition matrix is unitary and that this unitary matrix condition is sufficient to guarantee energy conservation. A comparison of analytical solutions with numerical predictions validates the formalism. Although not directly related to the approach used to obtain the solution, it was discovered that all four generated eigenvalues from the four-order AO differential matrix operator are expressed simply in terms of Euclid's Divine Proportion.

Two types of phase diagrams for two-species Bose-Einstein condensates and the combined effect of the parameters

NASA Astrophysics Data System (ADS)

Li, Z. B.; Liu, Y. M.; Yao, D. X.; Bao, C. G.

2017-07-01

Under the Thomas-Fermi approximation, an approach is proposed to solve the coupled Gross-Pitaevskii equations (CGP) for the two-species Bose-Einstein condensate analytically. The essence of this approach is to find out the building blocks to build the solution. By introducing the weighted strengths, relatively simpler analytical solutions have been obtained. A number of formulae have been deduced to relate the parameters when the system is experimentally tuned at various status. These formulae demonstrate the combined effect of the parameters, and are useful for the evaluation of their magnitudes. The whole parameter space is divided into zones, where each supports a specific phase. All the boundaries separating these zones have analytical expressions. Based on the division, the phase diagrams against any set of parameters can be plotted. In addition, by introducing a model for the asymmetric states, the total energies of the lowest symmetric and asymmetric states have been compared. Thereby, in which case the former will be replaced by the latter has been evaluated. The CGP can be written in a matrix form. For repulsive inter-species interaction V AB , when the parameters vary and cross over the singular point of the matrix, a specific state transition will happen and the total energy of the lowest symmetric state will increase remarkably. This provides an excellent opportunity for the lowest asymmetric state to emerge as the ground state. For attractive V AB , when the parameters tend to a singular point, the system will tend to collapse. The effects caused by the singular points have been particularly studied.

Analytical guidance law development for aerocapture at Mars

NASA Technical Reports Server (NTRS)

Calise, A. J.

1992-01-01

During the first part of this reporting period research has concentrated on performing a detailed evaluation, to zero order, of the guidance algorithm developed in the first period taking the numerical approach developed in the third period. A zero order matched asymptotic expansion (MAE) solution that closely satisfies a set of 6 implicit equations in 6 unknowns to an accuracy of 10(exp -10), was evaluated. Guidance law implementation entails treating the current state as a new initial state and repetitively solving the MAE problem to obtain the feedback controls. A zero order guided solution was evaluated and compared with optimal solution that was obtained by numerical methods. Numerical experience shows that the zero order guided solution is close to optimal solution, and that the zero order MAE outer solution plays a critical role in accounting for the variations in Loh's term near the exit phase of the maneuver. However, the deficiency that remains in several of the critical variables indicates the need for a first order correction. During the second part of this period, methods for computing a first order correction were explored.

Approach to first-order exact solutions of the Ablowitz-Ladik equation.

PubMed

Ankiewicz, Adrian; Akhmediev, Nail; Lederer, Falk

2011-05-01

We derive exact solutions of the Ablowitz-Ladik (A-L) equation using a special ansatz that linearly relates the real and imaginary parts of the complex function. This ansatz allows us to derive a family of first-order solutions of the A-L equation with two independent parameters. This novel technique shows that every exact solution of the A-L equation has a direct analog among first-order solutions of the nonlinear Schrödinger equation (NLSE). © 2011 American Physical Society

Khater method for nonlinear Sharma Tasso-Olever (STO) equation of fractional order

NASA Astrophysics Data System (ADS)

Bibi, Sadaf; Mohyud-Din, Syed Tauseef; Khan, Umar; Ahmed, Naveed

In this work, we have implemented a direct method, known as Khater method to establish exact solutions of nonlinear partial differential equations of fractional order. Number of solutions provided by this method is greater than other traditional methods. Exact solutions of nonlinear fractional order Sharma Tasso-Olever (STO) equation are expressed in terms of kink, travelling wave, periodic and solitary wave solutions. Modified Riemann-Liouville derivative and Fractional complex transform have been used for compatibility with fractional order sense. Solutions have been graphically simulated for understanding the physical aspects and importance of the method. A comparative discussion between our established results and the results obtained by existing ones is also presented. Our results clearly reveal that the proposed method is an effective, powerful and straightforward technique to work out new solutions of various types of differential equations of non-integer order in the fields of applied sciences and engineering.

Hyperspherical lowest-order constrained-variational approximation to resonant Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Sze, M. W. C.; Sykes, A. G.; Blume, D.; Bohn, J. L.

2018-03-01

We study the ground-state properties of a system of N harmonically trapped bosons of mass m interacting with two-body contact interactions, from small to large scattering lengths. This is accomplished in a hyperspherical coordinate system that is flexible enough to describe both the overall scale of the gas and two-body correlations. By adapting the lowest-order constrained-variational method, we are able to semiquantitatively attain Bose-Einstein condensate ground-state energies even for gases with infinite scattering length. In the large-particle-number limit, our method provides analytical estimates for the energy per particle E0/N ≈2.5 N1 /3ℏ ω and two-body contact C2/N ≈16 N1 /6√{m ω /ℏ } for a Bose gas on resonance, where ω is the trap frequency.

Comparison of Chain Conformation of Poly(vinyl alcohol) in Solutions and Melts from Quantum Chemistry Based Molecular Dynamics Simulations

NASA Technical Reports Server (NTRS)

Jaffe, Richard; Han, Jie; Matsuda, Tsunetoshi; Yoon, Do; Langhoff, Stephen R. (Technical Monitor)

1997-01-01

Confirmations of 2,4-dihydroxypentane (DHP), a model molecule for poly(vinyl alcohol), have been studied by quantum chemistry (QC) calculations and molecular dynamics (MD) simulations. QC calculations at the 6-311G MP2 level show the meso tt conformer to be lowest in energy followed by the racemic tg, due to intramolecular hydrogen bond between the hydroxy groups. The Dreiding force field has been modified to reproduce the QC conformer energies for DHP. MD simulations using this force field have been carried out for DHP molecules in the gas phase, melt, and CHCl3 and water solutions. Extensive intramolecular hydrogen bonding is observed for the gas phase and CHCl3 solution, but not for the melt or aqueous solution, Such a condensed phase effect due to intermolecular interactions results in a drastic change in chain conformations, in agreement with experiments.

A new approach to implementing decentralized wastewater treatment concepts.

PubMed

van Afferden, Manfred; Cardona, Jaime A; Lee, Mi-Yong; Subah, Ali; Müller, Roland A

2015-01-01

Planners and decision-makers in the wastewater sector are often confronted with the problem of identifying adequate development strategies and most suitable finance schemes for decentralized wastewater infrastructure. This paper research has focused on providing an approach in support of such decision-making. It is based on basic principles that stand for an integrated perspective towards sustainable wastewater management. We operationalize these principles by means of a geographic information system (GIS)-based approach 'Assessment of Local Lowest-Cost Wastewater Solutions'--ALLOWS. The main product of ALLOWS is the identification of cost-effective local wastewater management solutions for any given demographic and physical context. By using universally available input data the tool allows decision-makers to compare different wastewater solutions for any given wastewater situation. This paper introduces the ALLOWS-GIS tool. Its application and functionality are illustrated by assessing different wastewater solutions for two neighboring communities in rural Jordan.

Does water chemistry limit the distribution of New Zealand mud snails in Redwood National Park?

USGS Publications Warehouse

Vazquez, Ryan; Ward, Darren M.; Sepulveda, Adam

2016-01-01

New Zealand mud snails (NZMS) are exotic mollusks present in many waterways of the western United States. In 2009, NZMS were detected in Redwood Creek in Redwood National Park, CA. Although NZMS are noted for their ability to rapidly increase in abundance and colonize new areas, after more than 5 years in Redwood Creek, their distribution remains limited to a ca. 300 m reach. Recent literature suggests that low specific conductivity and environmental calcium can limit NZMS distribution. We conducted laboratory experiments, exposing NZMS collected from Redwood Creek to both natural waters and artificial treatment solutions, to determine if low conductivity and calcium concentration limit the distribution of NZMS in Redwood National Park. For natural water exposures, we held NZMS in water from their source location (conductivity 135 μS/cm, calcium 13 mg/L) or water from four other locations in the Redwood Creek watershed encompassing a range of conductivity (77–158 μS/cm) and calcium concentration (<5–13 mg/L). For exposures in treatment solutions, we manipulated both conductivity (range 20–200 μS/cm) and calcium concentration (range <5–17.5 mg/L) in a factorial design. Response variables measured included mortality and reproductive output. Adult NZMS survived for long periods (>4 months) in the lowest conductivity waters from Redwood Creek and all but the lowest-conductivity treatment solutions, regardless of calcium concentration. However, reproductive output was very low in all natural waters and all low-calcium treatment solutions. Our results suggest that water chemistry may inhibit the spread of NZMS in Redwood National Park by reducing their reproductive output.

An approach to understanding sleep and depressed mood in adolescents: person-centred sleep classification.

PubMed

Shochat, Tamar; Barker, David H; Sharkey, Katherine M; Van Reen, Eliza; Roane, Brandy M; Carskadon, Mary A

2017-12-01

Depressive mood in youth has been associated with distinct sleep dimensions, such as timing, duration and quality. To identify discrete sleep phenotypes, we applied person-centred analysis (latent class mixture models) based on self-reported sleep patterns and quality, and examined associations between phenotypes and mood in high-school seniors. Students (n = 1451; mean age = 18.4 ± 0.3 years; 648 M) completed a survey near the end of high-school. Indicators used for classification included school night bed- and rise-times, differences between non-school night and school night bed- and rise-times, sleep-onset latency, number of awakenings, naps, and sleep quality and disturbance. Mood was measured using the total score on the Center for Epidemiologic Studies-Depression Scale. One-way anova tested differences between phenotype for mood. Fit indexes were split between 3-, 4- and 5-phenotype solutions. For all solutions, between phenotype differences were shown for all indicators: bedtime showed the largest difference; thus, classes were labelled from earliest to latest bedtime as 'A' (n = 751), 'B' (n = 428) and 'C' (n = 272) in the 3-class solution. Class B showed the lowest sleep disturbances and remained stable, whereas classes C and A each split in the 4- and 5-class solutions, respectively. Associations with mood were consistent, albeit small, with class B showing the lowest scores. Person-centred analysis identified sleep phenotypes that differed in mood, such that those with the fewest depressive symptoms had moderate sleep timing, shorter sleep-onset latencies and fewer arousals. Sleep characteristics in these groups may add to our understanding of how sleep and depressed mood associate in teens. © 2017 European Sleep Research Society.

[Dissolved aluminum and organic carbon in soil solution under six tree stands in Lushan forest ecosystems].

PubMed

Wang, Lianfeng; Pan, Genxing; Shi, Shengli; Zhang, Lehua; Huang, Mingxing

2003-10-01

Different depths of soils under 6 tree stands in Lushan Botany Garden were sampled and water-digested at room temperature. The dissolved aluminum and organic carbon were then determined by colorimetry, using 8-hydroxylquilin and TOC Analyzer, respectively. The results indicated that even derived from a naturally identical soil type, the test soils exhibited a diverse solution chemistry, regarding with the Al speciation. The soil solutions under Japanese cedar, giant arborvitae and tea had lower pH values and higher contents of soluble aluminum than those under Giant dogwood, azalea and bamboo. Under giant arborvitae, the lowest pH and the highest content of total soluble aluminum and monomeric aluminum were found in soil solution. There was a significant correlation between soluble aluminum and DOC, which tended to depress the accumulation of toxic monomeric aluminum. The 6 tree stands could be grouped into 2 categories of solution chemistry, according to aluminum mobilization.

Summary of States' Strategies and Consequences for ESEA Focus Schools. Solutions. Issue No. 2

ERIC Educational Resources Information Center

Perlman, Carole

2013-01-01

As of January 1, 2013, 34 states and the District of Columbia have been granted waivers from certain provisions of the Elementary and Secondary Education Act (ESEA). Part of each successful flexibility application was a state accountability system that could identify priority schools (the lowest performing 5% of Title 1 schools) and focus schools…

Summary of States' Strategies and Consequences for ESEA Focus Schools. Solutions. Issue Number 2

ERIC Educational Resources Information Center

Perlman, Carole

2013-01-01

As of January 1, 2013, 34 states and the District of Columbia have been granted waivers from certain provisions of the Elementary and Secondary Education Act (ESEA). Part of each successful flexibility application was a state accountability system that could identify priority schools (the lowest performing 5% of Title 1 schools) and focus schools…

Flutter analysis of swept-wing subsonic aircraft with parameter studies of composite wings

NASA Technical Reports Server (NTRS)

Housner, J. M.; Stein, M.

1974-01-01

A computer program is presented for the flutter analysis, including the effects of rigid-body roll, pitch, and plunge of swept-wing subsonic aircraft with a flexible fuselage and engines mounted on flexible pylons. The program utilizes a direct flutter solution in which the flutter determinant is derived by using finite differences, and the root locus branches of the determinant are searched for the lowest flutter speed. In addition, a preprocessing subroutine is included which evaluates the variable bending and twisting stiffness properties of the wing by using a laminated, balanced ply, filamentary composite plate theory. The program has been substantiated by comparisons with existing flutter solutions. The program has been applied to parameter studies which examine the effect of filament orientation upon the flutter behavior of wings belonging to the following three classes: wings having different angles of sweep, wings having different mass ratios, and wings having variable skin thicknesses. These studies demonstrated that the program can perform a complete parameter study in one computer run. The program is designed to detect abrupt changes in the lowest flutter speed and mode shape as the parameters are varied.

[Selected enhancement of different order stokes lines of SRS by using fluorescence of mixed dye solution].

PubMed

Zuo, Hao-yi; Gao, Jie; Yang, Jing-guo

2007-03-01

A new method to enhance the intensity of the different orders of Stokes lines of SRS by using mixed dye fluorescence is reported. The Stokes lines from the second-order to the fifth-order of CCl4 were enhanced by the fluorescence of mixed R6G and RB solutions in different proportions of 20:2, 20:13 and 20:40 (R6g:Rb), respectively. It is considered that the Stokes lines from the second-order to the fifth-order are near the fluorescence peaks of the three mixed solutions, and far from the absorption peaks of R6g and Rb, so the enhancement effect dominates the absorption effect; as a result, these stokes lines are enhanced. On the contrary, the first-order stokes line is near the absorption peak of RB and far from the fluorescence peaks of the mixed solutions, which leads to the weakening of this stokes line. It is also reported that the first-order, the second-order and the third-order Stokes lines of benzene were enhanced by the fluorescence of mixed solutions of R6g and DCM with of different proportions. The potential application of this method is forecasted.

Expanded solutions of force-free electrodynamics on general Kerr black holes

NASA Astrophysics Data System (ADS)

Li, Huiquan; Wang, Jiancheng

2017-07-01

In this work, expanded solutions of force-free magnetospheres on general Kerr black holes are derived through a radial distance expansion method. From the regular conditions both at the horizon and at spatial infinity, two previously known asymptotical solutions (one of them is actually an exact solution) are identified as the only solutions that satisfy the same conditions at the two boundaries. Taking them as initial conditions at the boundaries, expanded solutions up to the first few orders are derived by solving the stream equation order by order. It is shown that our extension of the exact solution can (partially) cure the problems of the solution: it leads to magnetic domination and a mostly timelike current for restricted parameters.

Fabrications of Polyaniline Films by Pulse Electrodeposition in Acidic Solutions with Different Anions and Their Thermoelectric Performances

NASA Astrophysics Data System (ADS)

Yang, Weifang; Xu, Han; Li, Yuanyuan; Wang, Wei

2017-08-01

Polymerization of aniline was prepared by the pulse potentiostatic method in H3PO4, HClO4 and H2SO4 acidic solutions. The morphologies and thermoelectric performances were analyzed by scanning electron microscopy, Seebeck coefficient ( S) and resistivity ( R) measurements. The results show that flake polyaniline (PANI) films can be obtained in H3PO4 and HClO4 acidic solutions, and porous PANI films with nanofiber-overlapped structures can be prepared in H2SO4 solution under the same pulse parameters. PANI films prepared in the three solutions are all p-type thermoelectric materials. PANI films polymerized in H2SO4 solution possess the highest S (30.2 μV K-1) and lowest R (1.6 × 10-3 Ω m) compared with those prepared in H3PO4 and HClO4 solutions, indicating that nanofiber-overlapped structures formed in H2SO4 solution contribute better thermoelectric performance. In addition, the effects of pulse parameters (anodic potential φ a, anodic pulse duration t a and cathodic pulse duration t c) on the surface morphologies and thermoelectric performances of PANI films were systematically investigated.

Sorption of vanadium (V) onto natural soil colloids under various solution pH and ionic strength conditions.

PubMed

Luo, Xiuhua; Yu, Lin; Wang, Changzhao; Yin, Xianqiang; Mosa, Ahmed; Lv, Jialong; Sun, Huimin

2017-02-01

Batch sorption kinetics and isothermal characteristics of V(V) were investigated on three natural soil colloids (manual loessial soil colloid (MSC), aeolian sandy soil colloid (ASC), and cultivated loessial soil colloid (CSC)) under various solution pH and ionic strength (IS) conditions. Colloids were characterized by atomic force microscopy (AFM), X-ray diffraction (XRD), and fourier transform infrared spectroscopy (FTIR). AFM micrographs showed CSC with an aggregated shape with larger particle diameter as compared with ASC and MSC. XRD spectra revealed the presence of different minerals in natural soil colloids including biotite, kaolinite, calcite and quartz, which might contribute to sorption process. The sorption ability decreased with increase of colloidal particle size. The sorption was mainly attributed to complexation by active carboxylate and alcohol groups of colloidal components. Sorption kinetics and isotherms of V(V) onto natural soil colloids were best fitted with Pseudo-second-order and Freundlich models. Langmuir model indicated that sorption capacity of MSC and ASC was comparable (285.7 and 238.1 mg g -1 ); however, CSC exhibited the lowest sorption capacity (41.5 mg g -1 ) due to its larger particle diameter and aggregated shape. The maximum V(V) sorption capacity reached plateau values at a solution pH ranged between 5.0 and 9.0 for MSC and ASC, and 6.0-8.0 for CSC. Sorption capacity of V(V) onto natural soil colloids decreased with increasing IS. Based on result of this study we can conclude that sorption of V(V) onto natural soil colloids is pH- and IS-dependent. These findings provide insights on the remediation of vanadium-contaminated soils. Copyright © 2016 Elsevier Ltd. All rights reserved.

A new description of Earth's wobble modes using Clairaut coordinates: 1. Theory

NASA Astrophysics Data System (ADS)

Rochester, M. G.; Crossley, D. J.; Zhang, Y. L.

2014-09-01

This paper presents a novel mathematical reformulation of the theory of the free wobble/nutation of an axisymmetric reference earth model in hydrostatic equilibrium, using the linear momentum description. The new features of this work consist in the use of (i) Clairaut coordinates (rather than spherical polars), (ii) standard spherical harmonics (rather than generalized spherical surface harmonics), (iii) linear operators (rather than J-square symbols) to represent the effects of rotational and ellipticity coupling between dependent variables of different harmonic degree and (iv) a set of dependent variables all of which are continuous across material boundaries. The resulting infinite system of coupled ordinary differential equations is given explicitly, for an elastic solid mantle and inner core, an inviscid outer core and no magnetic field. The formulation is done to second order in the Earth's ellipticity. To this order it is shown that for wobble modes (in which the lowest harmonic in the displacement field is degree 1 toroidal, with azimuthal order m = ±1), it is sufficient to truncate the chain of coupled displacement fields at the toroidal harmonic of degree 5 in the solid parts of the earth model. In the liquid core, however, the harmonic expansion of displacement can in principle continue to indefinitely high degree at this order of accuracy. The full equations are shown to yield correct results in three simple cases amenable to analytic solution: a general earth model in rigid rotation, the tiltover mode in a homogeneous solid earth model and the tiltover and Chandler periods for an incompressible homogeneous solid earth model. Numerical results, from programmes based on this formulation, are presented in part II of this paper.

Ground-state phases of the spin-1 J1-J2 Heisenberg antiferromagnet on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Li, P. H. Y.; Bishop, R. F.

2016-06-01

We study the zero-temperature quantum phase diagram of a spin-1 Heisenberg antiferromagnet on the honeycomb lattice with both nearest-neighbor exchange coupling J1>0 and frustrating next-nearest-neighbor coupling J2≡κ J1>0 , using the coupled cluster method implemented to high orders of approximation, and based on model states with different forms of classical magnetic order. For each we calculate directly in the bulk thermodynamic limit both ground-state low-energy parameters (including the energy per spin, magnetic order parameter, spin stiffness coefficient, and zero-field uniform transverse magnetic susceptibility) and their generalized susceptibilities to various forms of valence-bond crystalline (VBC) order, as well as the energy gap to the lowest-lying spin-triplet excitation. In the range 0 <κ <1 we find evidence for four distinct phases. Two of these are quasiclassical phases with antiferromagnetic long-range order, one with two-sublattice Néel order for κ <κc1=0.250(5 ) , and another with four-sublattice Néel-II order for κ >κc 2=0.340 (5 ) . Two different paramagnetic phases are found to exist in the intermediate region. Over the range κc1<κ<κci=0.305 (5 ) we find a gapless phase with no discernible magnetic order, which is a strong candidate for being a quantum spin liquid, while over the range κci<κ <κc 2 we find a gapped phase, which is most likely a lattice nematic with staggered dimer VBC order that breaks the lattice rotational symmetry.

Formation of Indium-Doped Zinc Oxide Thin Films Using Ultrasonic Spray Pyrolysis: The Importance of the Water Content in the Aerosol Solution and the Substrate Temperature for Enhancing Electrical Transport

PubMed Central

Biswal, Rajesh; Castañeda, Luis; Moctezuma, Rosario; Vega-Pérez, Jaime; De La Luz Olvera, María; Maldonado, Arturo

2012-01-01

Indium doped zinc oxide [ZnO:In] thin films have been deposited at 430°C on soda-lime glass substrates by the chemical spray technique, starting from zinc acetate and indium acetate. Pulverization of the solution was done by ultrasonic excitation. The variations in the electrical, structural, optical, and morphological characteristics of ZnO:In thin films, as a function of both the water content in the starting solution and the substrate temperature, were studied. The electrical resistivity of ZnO:In thin films is not significantly affected with the increase in the water content, up to 200 mL/L; further increase in water content causes an increase in the resistivity of the films. All films show a polycrystalline character, fitting well with the hexagonal ZnO wurtzite-type structure. No preferential growth in samples deposited with the lowest water content was observed, whereas an increase in water content gave rise to a (002) growth. The surface morphology of the films shows a consistency with structure results, as non-geometrical shaped round grains were observed in the case of films deposited with the lowest water content, whereas hexagonal slices, with a wide size distribution were observed in the other cases. In addition, films deposited with the highest water content show a narrow size distribution. PMID:28817056

Verification of Software: The Textbook and Real Problems

NASA Technical Reports Server (NTRS)

Carlson, Jan-Renee

2006-01-01

The process of verification, or determining the order of accuracy of computational codes, can be problematic when working with large, legacy computational methods that have been used extensively in industry or government. Verification does not ensure that the computer program is producing a physically correct solution, it ensures merely that the observed order of accuracy of solutions are the same as the theoretical order of accuracy. The Method of Manufactured Solutions (MMS) is one of several ways for determining the order of accuracy. MMS is used to verify a series of computer codes progressing in sophistication from "textbook" to "real life" applications. The degree of numerical precision in the computations considerably influenced the range of mesh density to achieve the theoretical order of accuracy even for 1-D problems. The choice of manufactured solutions and mesh form shifted the observed order in specific areas but not in general. Solution residual (iterative) convergence was not always achieved for 2-D Euler manufactured solutions. L(sub 2,norm) convergence differed variable to variable therefore an observed order of accuracy could not be determined conclusively in all cases, the cause of which is currently under investigation.

Benchmarking distributed data warehouse solutions for storing genomic variant information

PubMed Central

Wiewiórka, Marek S.; Wysakowicz, Dawid P.; Okoniewski, Michał J.

2017-01-01

Abstract Genomic-based personalized medicine encompasses storing, analysing and interpreting genomic variants as its central issues. At a time when thousands of patientss sequenced exomes and genomes are becoming available, there is a growing need for efficient database storage and querying. The answer could be the application of modern distributed storage systems and query engines. However, the application of large genomic variant databases to this problem has not been sufficiently far explored so far in the literature. To investigate the effectiveness of modern columnar storage [column-oriented Database Management System (DBMS)] and query engines, we have developed a prototypic genomic variant data warehouse, populated with large generated content of genomic variants and phenotypic data. Next, we have benchmarked performance of a number of combinations of distributed storages and query engines on a set of SQL queries that address biological questions essential for both research and medical applications. In addition, a non-distributed, analytical database (MonetDB) has been used as a baseline. Comparison of query execution times confirms that distributed data warehousing solutions outperform classic relational DBMSs. Moreover, pre-aggregation and further denormalization of data, which reduce the number of distributed join operations, significantly improve query performance by several orders of magnitude. Most of distributed back-ends offer a good performance for complex analytical queries, while the Optimized Row Columnar (ORC) format paired with Presto and Parquet with Spark 2 query engines provide, on average, the lowest execution times. Apache Kudu on the other hand, is the only solution that guarantees a sub-second performance for simple genome range queries returning a small subset of data, where low-latency response is expected, while still offering decent performance for running analytical queries. In summary, research and clinical applications that require the storage and analysis of variants from thousands of samples can benefit from the scalability and performance of distributed data warehouse solutions. Database URL: https://github.com/ZSI-Bio/variantsdwh PMID:29220442

Effect of the addition mode of carbon nanotubes for the production of chitosan hydrogel core-shell beads on adsorption of Congo red from aqueous solution.

PubMed

Chatterjee, Sudipta; Chatterjee, Tania; Lim, Seong-Rin; Woo, Seung H

2011-03-01

The adsorption performance of chitosan (CS) hydrogel beads (CSBs) generated by sodium dodecyl sulfate (SDS) gelation with multi-walled carbon nanotube (CNT) impregnation was investigated for Congo red removal as a model anionic dye. CNT-impregnated CSBs were prepared by four different strategies for dispersing CNTs: (a) in CS solution (CSBN1), (b) in SDS solution (CSBN2), (c) in CS solution containing cetyltrimethylammonium bromide (CTAB) (CSBN3), and (d) in SDS solution for gelation with CTAB-containing CS solution (CSBN4). It was observed from FE-SEM study that depending on nature of CNT dispersion, CNTs were found on the outer surface of CSBN2 and CSBN4 only. The adsorption capacity of the CSBs varied with the strategy used for CNT impregnation, and CSBN4 exhibited the highest maximum adsorption capacity (375.94 mg/g) from the Sips model. The lowest Sips maximum adsorption capacity by CSBN3 (121.07 mg/g) suggested significant blocking of binding sites of CS by CNT impregnation. Copyright © 2011 Elsevier Ltd. All rights reserved.

Electroencephalography in ellipsoidal geometry with fourth-order harmonics.

PubMed

Alcocer-Sosa, M; Gutierrez, D

2016-08-01

We present a solution to the electroencephalographs (EEG) forward problem of computing the scalp electric potentials for the case when the head's geometry is modeled using a four-shell ellipsoidal geometry and the brain sources with an equivalent current dipole (ECD). The proposed solution includes terms up to the fourth-order ellipsoidal harmonics and we compare this new approximation against those that only considered up to second- and third-order harmonics. Our comparisons use as reference a solution in which a tessellated volume approximates the head and the forward problem is solved through the boundary element method (BEM). We also assess the solution to the inverse problem of estimating the magnitude of an ECD through different harmonic approximations. Our results show that the fourth-order solution provides a better estimate of the ECD in comparison to lesser order ones.

[Effects of litterfall and root input on soil physical and chemical properties in Pinus massoniana plantations in Three Gorges Reservoir Area, China].

PubMed

Ge, Xiao-Gai; Huang, Zhi-Lin; Cheng, Rui-Mei; Zeng, Li-Xiong; Xiao, Wen-Fa; Tan, Ben-Wang

2012-12-01

An investigation was made on the soil physical and chemical properties in different-aged Pinus massoniana plantations in Three Gorges Reservoir Area under effects of litterfall and roots. The annual litter production in mature stand was 19.4% and 65.7% higher than that in nearly mature and middle-aged stands, respectively. The litter standing amount was in the sequence of mature stand > middle-aged stand > nearly mature stand, while the litter turnover coefficient was in the order of nearly mature stand (0.51) > mature stand (0.40) > middle-aged stand (0.36). The total root biomass, live root biomass, and dead root biomass were the highest in middle-aged stand, and the lowest in nearly mature stand. In middle-aged stand, soil total porosity was the highest, and soil bulk density was the lowest. Soil organic matter and total nitrogen contents were in the order of mature stand > middle-aged stand > nearly mature stand, soil nitrate nitrogen occupied a larger proportion of soil mineral N in nearly mature stand, while ammonium nitrogen accounted more in middle-aged and mature stands. In nearly mature stand, litter production was moderate but turnover coefficient was the highest, and soil nutrient contents were the lowest. In middle-aged stand, root biomass and soil total porosity were the highest, and soil bulk density were the lowest. In mature stand, root biomass was lower while soil nutrient contents were the highest. The increase of root biomass could improve soil physical properties.

Three approaches to define desired soil organic matter contents.

PubMed

Sparling, G; Parfitt, R L; Hewitt, A E; Schipper, L A

2003-01-01

Soil organic C is often suggested as an indicator of soil quality, but desirable targets are rarely specified. We tested three approaches to define maximum and lowest desirable soil C contents for four New Zealand soil orders. Approach 1 used the New Zealand National Soils Database (NSD). The maximum C content was defined as the median value of long-term pastures, and the lower quartile defined the lowest desirable soil C content. Approach 2 used the CENTURY model to predict maximum C contents of long-term pasture. Lowest desirable content was defined by the level that still allowed recovery to 80% of the maximum C content over 25 yr. Approach 3 used an expert panel to define desirable C contents based on production and environmental criteria. Median C contents (0-20 cm) for the Recent, Granular, Melanic, and Allophanic orders were 72, 88, 98, 132 Mg ha(-1), and similar to contents predicted by the CENTURY model (78, 93, 102, and 134 Mg ha(-1), respectively). Lower quartile values (54, 78, 73, and 103 Mg ha(-1), respectively) were similar to the lowest desirable C contents calculated by CENTURY (55, 54, 67, and 104 Mg ha(-1), respectively). Expert opinion was that C contents could be depleted below these values with tolerable effects on production but less so for the environment. The CENTURY model is our preferred approach for setting soil organic C targets, but the model needs calibrating for other soils and land uses. The statistical and expert opinion approaches are less defensible in setting lower limits for desirable C contents.

Treatment of internal sources in the finite-volume ELLAM

USGS Publications Warehouse

Healy, R.W.; ,; ,; ,; ,; ,

2000-01-01

The finite-volume Eulerian-Lagrangian localized adjoint method (FVELLAM) is a mass-conservative approach for solving the advection-dispersion equation. The method has been shown to be accurate and efficient for solving advection-dominated problems of solute transport in ground water in 1, 2, and 3 dimensions. Previous implementations of FVELLAM have had difficulty in representing internal sources because the standard assumption of lowest order Raviart-Thomas velocity field does not hold for source cells. Therefore, tracking of particles within source cells is problematic. A new approach has been developed to account for internal sources in FVELLAM. It is assumed that the source is uniformly distributed across a grid cell and that instantaneous mixing takes place within the cell, such that concentration is uniform across the cell at any time. Sub-time steps are used in the time-integration scheme to track mass outflow from the edges of the source cell. This avoids the need for tracking within the source cell. We describe the new method and compare results for a test problem with a wide range of cell Peclet numbers.

An adaptive evolutionary multi-objective approach based on simulated annealing.

PubMed

Li, H; Landa-Silva, D

2011-01-01

A multi-objective optimization problem can be solved by decomposing it into one or more single objective subproblems in some multi-objective metaheuristic algorithms. Each subproblem corresponds to one weighted aggregation function. For example, MOEA/D is an evolutionary multi-objective optimization (EMO) algorithm that attempts to optimize multiple subproblems simultaneously by evolving a population of solutions. However, the performance of MOEA/D highly depends on the initial setting and diversity of the weight vectors. In this paper, we present an improved version of MOEA/D, called EMOSA, which incorporates an advanced local search technique (simulated annealing) and adapts the search directions (weight vectors) corresponding to various subproblems. In EMOSA, the weight vector of each subproblem is adaptively modified at the lowest temperature in order to diversify the search toward the unexplored parts of the Pareto-optimal front. Our computational results show that EMOSA outperforms six other well established multi-objective metaheuristic algorithms on both the (constrained) multi-objective knapsack problem and the (unconstrained) multi-objective traveling salesman problem. Moreover, the effects of the main algorithmic components and parameter sensitivities on the search performance of EMOSA are experimentally investigated.

Quantitative FLASH MRI at 3T using a rational approximation of the Ernst equation.

PubMed

Helms, Gunther; Dathe, Henning; Dechent, Peter

2008-03-01

From the half-angle substitution of trigonometric terms in the Ernst equation, rational approximations of the flip angle dependence of the FLASH signal can be derived. Even the rational function of the lowest order was in good agreement with the experiment for flip angles up to 20 degrees . Three-dimensional maps of the signal amplitude and longitudinal relaxation rates in human brain were obtained from eight subjects by dual-angle measurements at 3T (nonselective 3D-FLASH, 7 degrees and 20 degrees flip angle, TR = 30 ms, isotropic resolution of 0.95 mm, each 7:09 min). The corresponding estimates of T1 and signal amplitude are simple algebraic expressions and deviated about 1% from the exact solution. They are ill-conditioned to estimate the local flip angle deviation but can be corrected post hoc by division of squared RF maps obtained by independent measurements. Local deviations from the nominal flip angles strongly affected the relaxation estimates and caused considerable blurring of the T1 histograms. (c) 2008 Wiley-Liss, Inc.

Redefining Health: The Evolution of Health Ideas from Antiquity to the Era of Value-Based Care.

PubMed

Badash, Ido; Kleinman, Nicole P; Barr, Stephanie; Jang, Julie; Rahman, Suraiya; Wu, Brian W

2017-02-09

The current healthcare system in the United States (US) is characterized by high costs and poor patient outcomes. A value-based healthcare system, centered on providing the highest quality of care for the lowest cost, is the country's chosen solution for its healthcare crisis. As the US transitions to a value-based model, a new definition of health is necessary to clearly define what constitutes a healthy state. However, such a definition is impossible to develop without a proper understanding of what "health" actually means. To truly understand its meaning, one must have a thorough historical understanding of the changes in the concept of health and how it has evolved to reflect the beliefs and scientific understanding of each time period. Thus, this review summarizes the changes in the definition of health over time in order to provide a context for the definition needed today. We then propose a new definition of health that is specifically tailored to providers working in the era of value-based care.

A space radiation transport method development

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Tripathi, R. K.; Qualls, G. D.; Cucinotta, F. A.; Prael, R. E.; Norbury, J. W.; Heinbockel, J. H.; Tweed, J.

2004-01-01

Improved spacecraft shield design requires early entry of radiation constraints into the design process to maximize performance and minimize costs. As a result, we have been investigating high-speed computational procedures to allow shield analysis from the preliminary design concepts to the final design. In particular, we will discuss the progress towards a full three-dimensional and computationally efficient deterministic code for which the current HZETRN evaluates the lowest-order asymptotic term. HZETRN is the first deterministic solution to the Boltzmann equation allowing field mapping within the International Space Station (ISS) in tens of minutes using standard finite element method (FEM) geometry common to engineering design practice enabling development of integrated multidisciplinary design optimization methods. A single ray trace in ISS FEM geometry requires 14 ms and severely limits application of Monte Carlo methods to such engineering models. A potential means of improving the Monte Carlo efficiency in coupling to spacecraft geometry is given in terms of re-configurable computing and could be utilized in the final design as verification of the deterministic method optimized design. Published by Elsevier Ltd on behalf of COSPAR.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fujimoto, Cy H.; Kim, Soowhan; Stains, Ronald

Sulfonated Diels Alder poly(phenylene) (SDAPP) was examined for vanadium redox flow battery (VRFB) use. The ion exchange capacity (IEC) was varied from 1.4, 1.6 and 2.0 meq/g in order to tune the proton conductivity and vanadium permeability. Coulombic efficiencies between 92 to 99% were observed, depending on IEC (lower IEC, higher coulombic efficiencies). In all cases the SDAPP displayed comparable energy efficiencies (88 - 90%) to Nafion 117 (88%) at 50mA/cm2. Membrane durability also was dependent on IEC; SDAPP with the highest IEC lasted slightly over 50 cycles while SDAPP with the lowest IEC lasted over 400 cycles and testingmore » was discontinued only due to time constraints. Accelerated vanadium lifetime studies were initialed with SDAPP, by soaking films in a 0.1 M V5+ and 5.0 M total SO4-2 solution. The rate of degradation was also proportional with IEC; the 2 meq/g sample dissolved within 376 hours, the 1.6 meq/g sample dissolved after 860 hours, while the 1.4 meq/g sample broke apart after 1527 hours.« less

Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory.

PubMed

Kussmann, Jörg; Ochsenfeld, Christian

2007-08-07

Details of a new density matrix-based formulation for calculating nuclear magnetic resonance chemical shifts at both Hartree-Fock and density functional theory levels are presented. For systems with a nonvanishing highest occupied molecular orbital-lowest unoccupied molecular orbital gap, the method allows us to reduce the asymptotic scaling order of the computational effort from cubic to linear, so that molecular systems with 1000 and more atoms can be tackled with today's computers. The key feature is a reformulation of the coupled-perturbed self-consistent field (CPSCF) theory in terms of the one-particle density matrix (D-CPSCF), which avoids entirely the use of canonical MOs. By means of a direct solution for the required perturbed density matrices and the adaptation of linear-scaling integral contraction schemes, the overall scaling of the computational effort is reduced to linear. A particular focus of our formulation is to ensure numerical stability when sparse-algebra routines are used to obtain an overall linear-scaling behavior.

Preserving the Helmholtz dispersion relation: One-way acoustic wave propagation using matrix square roots

NASA Astrophysics Data System (ADS)

Keefe, Laurence

2016-11-01

Parabolized acoustic propagation in transversely inhomogeneous media is described by the operator update equation U (x , y , z + Δz) =eik0 (- 1 +√{ 1 + Z }) U (x , y , z) for evolution of the envelope of a wavetrain solution to the original Helmholtz equation. Here the operator, Z =∇T2 + (n2 - 1) , involves the transverse Laplacian and the refractive index distribution. Standard expansion techniques (on the assumption Z << 1)) produce pdes that approximate, to greater or lesser extent, the full dispersion relation of the original Helmholtz equation, except that none of them describe evanescent/damped waves without special modifications to the expansion coefficients. Alternatively, a discretization of both the envelope and the operator converts the operator update equation into a matrix multiply, and existing theorems on matrix functions demonstrate that the complete (discrete) Helmholtz dispersion relation, including evanescent/damped waves, is preserved by this discretization. Propagation-constant/damping-rates contour comparisons for the operator equation and various approximations demonstrate this point, and how poorly the lowest-order, textbook, parabolized equation describes propagation in lined ducts.

Redefining Health: The Evolution of Health Ideas from Antiquity to the Era of Value-Based Care

PubMed Central

Kleinman, Nicole P; Barr, Stephanie; Jang, Julie; Rahman, Suraiya; Wu, Brian W

2017-01-01

The current healthcare system in the United States (US) is characterized by high costs and poor patient outcomes. A value-based healthcare system, centered on providing the highest quality of care for the lowest cost, is the country’s chosen solution for its healthcare crisis. As the US transitions to a value-based model, a new definition of health is necessary to clearly define what constitutes a healthy state. However, such a definition is impossible to develop without a proper understanding of what “health” actually means. To truly understand its meaning, one must have a thorough historical understanding of the changes in the concept of health and how it has evolved to reflect the beliefs and scientific understanding of each time period. Thus, this review summarizes the changes in the definition of health over time in order to provide a context for the definition needed today. We then propose a new definition of health that is specifically tailored to providers working in the era of value-based care.  PMID:28348937

Control and protection of outdoor embedded camera for astronomy

NASA Astrophysics Data System (ADS)

Rigaud, F.; Jegouzo, I.; Gaudemard, J.; Vaubaillon, J.

2012-09-01

The purpose of CABERNET- Podet-Met (CAmera BEtter Resolution NETwork, Pole sur la Dynamique de l'Environnement Terrestre - Meteor) project is the automated observation, by triangulation with three cameras, of meteor showers to perform a calculation of meteoroids trajectory and velocity. The scientific goal is to search the parent body, comet or asteroid, for each observed meteor. To install outdoor cameras in order to perform astronomy measurements for several years with high reliability requires a very specific design for the box. For these cameras, this contribution shows how we fulfilled the various functions of their boxes, such as cooling of the CCD, heating to melt snow and ice, the protecting against moisture, lightning and Solar light. We present the principal and secondary functions, the product breakdown structure, the technical solutions evaluation grid of criteria, the adopted technology products and their implementation in multifunction subsets for miniaturization purpose. To manage this project, we aim to get the lowest manpower and development time for every part. In appendix, we present the measurements the image quality evolution during the CCD cooling, and some pictures of the prototype.

Enhancement of Device Performances in GaN-Based Light-Emitting Diodes Using Nano-Sized Surface Pit.

PubMed

Yeon, Seunghwan; Son, Taejoon; Shin, Dong Su; Jung, Kyung-Young; Park, Jinsub

2015-07-01

We report the improvement in optical and electrical properties of GaN-based green light-emitting diodes (LEDs) with nano-sized etch pits formed by the surface chemical etching. In order to control the density and sizes of etch pits formed on top surface of green LEDs, H3PO4 solution is used as a etchant with different etching time. When the etching time was increased from 0 min to 20 min, both the etch pit size and density were gradually increased. The improvement of extraction efficiency of LEDs using surface etching method can be attributed to the enlarged escape angle of generated photon by roughened p-GaN surface. The finite-difference time-domain (FDTD) simulation results well agreed with experimentally observed results. Moreover, the LED with etched p-GaN surface for 5 min shows the lowest leakage current value and the further increase of etching time resulting in increase of densities of the large-sized etch pit makes the degradation of electrical properties of LEDs.

Radiative decay rate of excitons in square quantum wells: Microscopic modeling and experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khramtsov, E. S.; Grigoryev, P. S.; Ignatiev, I. V.

The binding energy and the corresponding wave function of excitons in GaAs-based finite square quantum wells (QWs) are calculated by the direct numerical solution of the three-dimensional Schrödinger equation. The precise results for the lowest exciton state are obtained by the Hamiltonian discretization using the high-order finite-difference scheme. The microscopic calculations are compared with the results obtained by the standard variational approach. The exciton binding energies found by two methods coincide within 0.1 meV for the wide range of QW widths. The radiative decay rate is calculated for QWs of various widths using the exciton wave functions obtained by direct andmore » variational methods. The radiative decay rates are confronted with the experimental data measured for high-quality GaAs/AlGaAs and InGaAs/GaAs QW heterostructures grown by molecular beam epitaxy. The calculated and measured values are in good agreement, though slight differences with earlier calculations of the radiative decay rate are observed.« less

Thermally stratified squeezed flow between two vertical Riga plates with no slip conditions

NASA Astrophysics Data System (ADS)

Farooq, M.; Mansoor, Zahira; Ijaz Khan, M.; Hayat, T.; Anjum, A.; Mir, N. A.

2018-04-01

This paper demonstrates the mixed convective squeezing nanomaterials flow between two vertical plates, one of which is a Riga plate embedded in a thermally stratified medium subject to convective boundary conditions. Heat transfer features are elaborated with viscous dissipation. Single-wall and multi-wall carbon nanotubes are taken as nanoparticles to form a homogeneous solution in the water. A non-linear system of differential equations is obtained for the considered flow by using suitable transformations. Convergence analysis for velocity and temperature is computed and discussed explicitly through BVPh 2.0. Residual errors are also computed by BVPh 2.0 for the dimensionless governing equations. We introduce two undetermined convergence control parameters, i.e. \\hslash_{θ} and \\hslashf , to compute the lowest entire error. The average residual error for the k -th-order approximation is given in a table. The effects of different flow variables on temperature and velocity distributions are sketched graphically and discussed comprehensively. Furthermore the coefficient of skin friction and the Nusselt number are also analyzed through graphical data.

Applications in environmental bioinorganic: Nutritional and ultrastructural evaluation and calculus of thermodynamic and structural properties of metal-oxalate complexes.

PubMed

Tolentino, Terezinha Alves; Bertoli, Alexandre Carvalho; dos Santos Pires, Maíra; Carvalho, Ruy; Labory, Claudia Regina Gontijo; Nunes, Janaira Santana; Bastos, Ana Rosa Ribeiro; de Freitas, Matheus Puggina

2015-01-01

Lead (Pb) is known by its toxicity both for animals and plants. In order to evaluate its toxicity, plants of Brachiaria brizantha were cultivated on nutritive solution of Hoagland during 90 days and submitted to different concentrations of Pb. The content of macro and micronutrients was evaluated and there was a reduction on root content of Ca, besides the lowest dosages of Pb had induced an increase of N, S, Mn, Cu, Zn and Fe. The cell ultrastructure of leaves and roots were analyzed by transmission electronic microscopy (TEM). Among the main alterations occurred there were invaginations on cell walls, the presence of crystals on the root cells, accumulation of material on the interior of cells and vacuolar compartmentalization. On the leaves the degradation of chloroplasts was observed, as well as the increase of vacuoles. Structures for the formation of oxalate crystals were proposed through molecular modeling and thermodynamic stability. Calculi suggest the formation of highly stable metal-oxalate complexes. Copyright © 2015 Elsevier B.V. All rights reserved.

Effects of glycine and current density on the mechanism of electrodeposition, composition and properties of Ni-Mn films prepared in ionic liquid

NASA Astrophysics Data System (ADS)

Guo, Jiacheng; Guo, Xingwu; Wang, Shaohua; Zhang, Zhicheng; Dong, Jie; Peng, Liming; Ding, Wenjiang

2016-03-01

The effects of glycine on the mechanism of electrodeposition of Ni-Mn alloy film prepared in ChCl-urea ionic liquid were studied in order to control the composition, microstructure and properties of the film. The cyclic voltammograms revealed that the presence of glycine in the ionic liquid can inhibit the reduction of Ni2+ ions but promote the reduction of Mn2+ ions in the cathodic scan. However, it promoted the dissolution of both Ni and Mn deposits in the ChCl-urea ionic liquids during the reverse scan. Glycine changed the mode of Ni-Mn film growth from Volmer-Weber mode into Stranski-Krastanov mode. The Mn content in the Ni-Mn film increased with the increase of concentration of glycine and current density. The Ni-Mn alloy film with 3.1 at.% Mn exhibited the lowest corrosion current density of 3 × 10-7 A/cm2 compared with other films prepared and exhibited better corrosion resistance than pure Ni film in 3.5 wt.% NaCl solution.

The origin of spurious solutions in computational electromagnetics

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Wu, Jie; Povinelli, L. A.

1995-01-01

The origin of spurious solutions in computational electromagnetics, which violate the divergence equations, is deeply rooted in a misconception about the first-order Maxwell's equations and in an incorrect derivation and use of the curl-curl equations. The divergence equations must be always included in the first-order Maxwell's equations to maintain the ellipticity of the system in the space domain and to guarantee the uniqueness of the solution and/or the accuracy of the numerical solutions. The div-curl method and the least-squares method provide rigorous derivation of the equivalent second-order Maxwell's equations and their boundary conditions. The node-based least-squares finite element method (LSFEM) is recommended for solving the first-order full Maxwell equations directly. Examples of the numerical solutions by LSFEM for time-harmonic problems are given to demonstrate that the LSFEM is free of spurious solutions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kodama, Yuta; Kokubu, Kento; Sawado, Nobuyuki

We construct brane solutions in 6-dimensional Einstein-Skyrme systems. A class of baby-Skyrmion solutions realizes warped compactification of the extra dimensions and gravity localization on the brane for the negative bulk cosmological constant. Coupling of the fermions with brane Skyrmions leads to brane localized fermions. In terms of the level crossing picture, emergence of the massive localized modes are observed. The nonlinear nature of Skyrmions brings richer information for the fermions' level structure. It comprises doubly degenerate lowest plus single excited modes. Three generations of fundamental fermions are associated with this distinctive structure. The mass hierarchy of quarks or leptons appearedmore » in terms of slightly deformed baby Skyrmions with topological charge three.« less

Exploiting the Modified Colombo-Nyquist Rule for Co-estimating Sub-monthly Gravity Field Solutions from a GRACE-like Mission

NASA Astrophysics Data System (ADS)

Devaraju, B.; Weigelt, M.; Mueller, J.

2017-12-01

In order to suppress the impact of aliasing errors on the standard monthly GRACE gravity-field solutions, co-estimating sub-monthly (daily/two-day) low-degree solutions has been suggested as a solution. The maximum degree of the low-degree solutions is chosen via the Colombo-Nyquist rule of thumb. However, it is now established that the sampling of satellites puts a restriction on the maximum estimable order and not the degree - modified Colombo-Nyquist rule. Therefore, in this contribution, we co-estimate low-order sub-monthly solutions, and compare and contrast them with the low-degree sub-monthly solutions. We also investigate their efficacies in dealing with aliasing errors.

Make or buy analysis model based on tolerance allocation to minimize manufacturing cost and fuzzy quality loss

NASA Astrophysics Data System (ADS)

Rosyidi, C. N.; Puspitoingrum, W.; Jauhari, W. A.; Suhardi, B.; Hamada, K.

2016-02-01

The specification of tolerances has a significant impact on the quality of product and final production cost. The company should carefully pay attention to the component or product tolerance so they can produce a good quality product at the lowest cost. Tolerance allocation has been widely used to solve problem in selecting particular process or supplier. But before merely getting into the selection process, the company must first make a plan to analyse whether the component must be made in house (make), to be purchased from a supplier (buy), or used the combination of both. This paper discusses an optimization model of process and supplier selection in order to minimize the manufacturing costs and the fuzzy quality loss. This model can also be used to determine the allocation of components to the selected processes or suppliers. Tolerance, process capability and production capacity are three important constraints that affect the decision. Fuzzy quality loss function is used in this paper to describe the semantic of the quality, in which the product quality level is divided into several grades. The implementation of the proposed model has been demonstrated by solving a numerical example problem that used a simple assembly product which consists of three components. The metaheuristic approach were implemented to OptQuest software from Oracle Crystal Ball in order to obtain the optimal solution of the numerical example.

Comparison of fluorescence-based methods to determine nanoparticle uptake by phagocytes and non-phagocytic cells in vitro.

PubMed

Claudia, Meindl; Kristin, Öhlinger; Jennifer, Ober; Eva, Roblegg; Eleonore, Fröhlich

2017-03-01

At many portals of entry the relative uptake by phagocytes and non-phagocytic cells has a prominent effect on availability and biological action of nanoparticles (NPs). Cellular uptake can be determined for fluorescence-labeled NPs. The present study compares three methods (plate reader, flow cytometry and image analysis) in order to investigate the influence of particle size and functionalization and medium content on cellular uptake of fluorescence-labeled polystyrene particles and to study the respective method́s suitability for uptake studies. For comparison between the techniques, ratios of macrophage to alveolar epithelial cell uptakes were used. Presence of serum protein in the exposure solution decreased uptake of carboxyl-functionalized and non-functionalized particles; there was no clear effect for the amine-functionalized particles. The 200nm non- or carboxyl-functionalized NPs were taken up preferentially by phagocytes while for amine-functionalized particles preference was lowest. The presence of the serum slightly increased the preference for these particles. In conclusion, due to the possibility of calibration, plate reader measurements might present a better option than the other techniques to (semi)quantify differences between phagocytes and non-phagocytic cells for particles with different fluorescence. In order to obtain unbiased data the fluorescent labeling has to fulfill certain requirements. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

A quantum algorithm for obtaining the lowest eigenstate of a Hamiltonian assisted with an ancillary qubit system

NASA Astrophysics Data System (ADS)

Bang, Jeongho; Lee, Seung-Woo; Lee, Chang-Woo; Jeong, Hyunseok

2015-01-01

We propose a quantum algorithm to obtain the lowest eigenstate of any Hamiltonian simulated by a quantum computer. The proposed algorithm begins with an arbitrary initial state of the simulated system. A finite series of transforms is iteratively applied to the initial state assisted with an ancillary qubit. The fraction of the lowest eigenstate in the initial state is then amplified up to 1. We prove that our algorithm can faithfully work for any arbitrary Hamiltonian in the theoretical analysis. Numerical analyses are also carried out. We firstly provide a numerical proof-of-principle demonstration with a simple Hamiltonian in order to compare our scheme with the so-called "Demon-like algorithmic cooling (DLAC)", recently proposed in Xu (Nat Photonics 8:113, 2014). The result shows a good agreement with our theoretical analysis, exhibiting the comparable behavior to the best `cooling' with the DLAC method. We then consider a random Hamiltonian model for further analysis of our algorithm. By numerical simulations, we show that the total number of iterations is proportional to , where is the difference between the two lowest eigenvalues and is an error defined as the probability that the finally obtained system state is in an unexpected (i.e., not the lowest) eigenstate.

Parallel closure theory for toroidally confined plasmas

NASA Astrophysics Data System (ADS)

Ji, Jeong-Young; Held, Eric D.

2017-10-01

We solve a system of general moment equations to obtain parallel closures for electrons and ions in an axisymmetric toroidal magnetic field. Magnetic field gradient terms are kept and treated using the Fourier series method. Assuming lowest order density (pressure) and temperature to be flux labels, the parallel heat flow, friction, and viscosity are expressed in terms of radial gradients of the lowest-order temperature and pressure, parallel gradients of temperature and parallel flow, and the relative electron-ion parallel flow velocity. Convergence of closure quantities is demonstrated as the number of moments and Fourier modes are increased. Properties of the moment equations in the collisionless limit are also discussed. Combining closures with fluid equations parallel mass flow and electric current are also obtained. Work in collaboration with the PSI Center and supported by the U.S. DOE under Grant Nos. DE-SC0014033, DE-SC0016256, and DE-FG02-04ER54746.

Transmission line design for a power distribution system at 20 kHz for aircraft

NASA Technical Reports Server (NTRS)

Zelby, L. W.; Mathes, J. B.; Shawver, J. W.

1986-01-01

A low inductance, low characteristic impedance transmission line was designed for a 20 kHz power distribution system. Several different conductor configurations were considered: strip lines, interdigitated metal ribbons, and standard insulated wires in multiwire configurations (circular and rectangular cylindrical arrangements). The final design was a rectangular arrangement of multiple wires of the same gauge with alternating polarities from wire to wire. This offered the lowest inductance per unit length (on the order of several nanohenries/meter) and the lowest characteristic impedance (on the order of one Ohm). Standard multipin connectors with gold-plated elements were recommended with this transmission line, the junction boxes to be internally connected with flat metal ribbons for low inductance, and the line to be constructed in sections of suitable length. Computer programs for the calculation of inductance of multiwire lines and of capacitances of strip lines were developed.

Limitations of the clump-correlation theories of shear-induced turbulence suppression

NASA Astrophysics Data System (ADS)

Zhang, Y. Z.; Mahajan, S. M.

2017-05-01

The clump theory, primarily constructed by Dupree [Phys. Fluids 15, 334 (1972)] based on the moment approach and then generalized to the correlation theory [Y. Z. Zhang and S. M. Mahajan, Phys. Fluids B 5, 2000 (1993)], has long served as a basis for constructing theories of turbulence suppression by shear flow. In order to reveal the "intrinsic approximation" invoked in the clump-correlation theory, we examine a model based on two dimensional magnetized drift waves. After a rigorous derivation of the exact response function—a key to average the Green function of the system—we show that the Dupree, Zhang-Mahajan approach is recovered as the lowest order approximation in a small dimensionless parameter ϒ which is a triple product of the correlation time, wave number, and fluctuating drift velocity. The clump-correlation theory, thus, constitutes the Gaussian and lowest order non-Markovian process for a homogeneous stationary turbulence. We also provide, especially for the tokamak community, a readily usable formula to evaluate the effectiveness of shear-flow suppression; this formula pertains regardless of the specific model of correlation time.

Spatial distribution mapping of drinking water fluoride levels in Karnataka, India: fluoride-related health effects.

PubMed

Chowdhury, Chitta R; Shahnawaz, Khijmatgar; Kumari, Divya; Chowdhury, Avidyuti; Bedi, Raman; Lynch, Edward; Harding, Stewart; Grootveld, Martin

2016-11-01

(1) To estimate the concentrations of fluoride in drinking water throughout different zones and districts of the state of Karnataka. (2) To investigate the variation of fluoride concentration in drinking water from different sources, and its relationships to daily temperature and rainfall status in the regional districts. (3) To develop an updated fluoride concentration intensity map of the state of Karnataka, and to evaluate these data in the context of fluoride-related health effects such as fluorosis and their prevalence. Aqueous standard solutions of 10, 100 and 1,000 ppm fluoride (F - ) were prepared with analytical grade Na + /F - and a buffer; TISAB II was incorporated in both calibration standard and analysis solutions in order to remove the potentially interfering effects of trace metal ions. This analysis was performed using an ion-selective electrode (ISE), and mean determination readings for n = 5 samples collected at each Karnataka water source were recorded. The F - concentration in drinking water in Karnataka state was found to vary substantially, with the highest mean values recorded being in the north-eastern zone (1.61 ppm), and the lowest in the south-western one (only 0.41 ppm). Analysis of variance (ANOVA) demonstrated that there were very highly significant 'between-zone' and 'between-districts-within-zones' sources of variation (p < 10 -5 -10 -9 ), results consistent with a substantial spatial variance of water source F - levels within this state. The southern part of Karnataka has low levels of F - in its drinking water, and may require fluoridation treatment in order to mitigate for dental caries and further ailments related to fluoride deficiency. However, districts within the north-eastern region have contrastingly high levels of fluoride, an observation which has been linked to dental and skeletal fluorosis. This highlights a major requirement for interventional actions in order to ensure maintenance of the recommended range of fluoride concentrations (0.8-1.5 ppm) in Karnataka's drinking water sources. © Royal Society for Public Health 2016.

Stokes waves revisited: Exact solutions in the asymptotic limit

NASA Astrophysics Data System (ADS)

Davies, Megan; Chattopadhyay, Amit K.

2016-03-01

The Stokes perturbative solution of the nonlinear (boundary value dependent) surface gravity wave problem is known to provide results of reasonable accuracy to engineers in estimating the phase speed and amplitudes of such nonlinear waves. The weakling in this structure though is the presence of aperiodic "secular variation" in the solution that does not agree with the known periodic propagation of surface waves. This has historically necessitated increasingly higher-ordered (perturbative) approximations in the representation of the velocity profile. The present article ameliorates this long-standing theoretical insufficiency by invoking a compact exact n -ordered solution in the asymptotic infinite depth limit, primarily based on a representation structured around the third-ordered perturbative solution, that leads to a seamless extension to higher-order (e.g., fifth-order) forms existing in the literature. The result from this study is expected to improve phenomenological engineering estimates, now that any desired higher-ordered expansion may be compacted within the same representation, but without any aperiodicity in the spectral pattern of the wave guides.

Multiple Positive Solutions in the Second Order Autonomous Nonlinear Boundary Value Problems

NASA Astrophysics Data System (ADS)

Atslega, Svetlana; Sadyrbaev, Felix

2009-09-01

We construct the second order autonomous equations with arbitrarily large number of positive solutions satisfying homogeneous Dirichlet boundary conditions. Phase plane approach and bifurcation of solutions are the main tools.

On solutions of the fifth-order dispersive equations with porous medium type non-linearity

NASA Astrophysics Data System (ADS)

Kocak, Huseyin; Pinar, Zehra

2018-07-01

In this work, we focus on obtaining the exact solutions of the fifth-order semi-linear and non-linear dispersive partial differential equations, which have the second-order diffusion-like (porous-type) non-linearity. The proposed equations were not studied in the literature in the sense of the exact solutions. We reveal solutions of the proposed equations using the classical Riccati equations method. The obtained exact solutions, which can play a key role to simulate non-linear waves in the medium with dispersion and diffusion, are illustrated and discussed in details.

Synthesis and Hydrolytic Degradation of Substituted Poly(DL-Lactic Acid)s

PubMed Central

Tsuji, Hideto; Eto, Takehiko; Sakamoto, Yuzuru

2011-01-01

Non-substituted racemic poly(DL-lactic acid) (PLA) and substituted racemic poly(DL-lactic acid)s or poly(DL-2-hydroxyalkanoic acid)s with different side-chain lengths, i.e., poly(DL-2-hydroxybutanoic acid) (PBA), poly(DL-2-hydroxyhexanoic acid) (PHA), and poly(DL-2-hydroxydecanoic acid) (PDA) were synthesized by acid-catalyzed polycondensation of DL-lactic acid (LA), DL-2-hydroxybutanoic acid (BA), DL-2-hydroxyhexanoic acid (HA), and DL-2-hydroxydecanoic acid (DA), respectively. The hydrolytic degradation behavior was investigated in phosphate-buffered solution at 80 and 37 °C by gravimetry and gel permeation chromatography. It was found that the reactivity of monomers during polycondensation as monitored by the degree of polymerization (DP) decreased in the following order: LA > DA > BA > HA. The hydrolytic degradation rate traced by DP and weight loss at 80 °C decreased in the following order: PLA > PDA > PHA > PBA and that monitored by DP at 37 °C decreased in the following order: PLA > PDA > PBA > PHA. LA and PLA had the highest reactivity during polymerization and hydrolytic degradation rate, respectively, and were followed by DA and PDA. BA, HA, PBA, and PHA had the lowest reactivity during polymerization and hydrolytic degradation rate. The findings of the present study strongly suggest that inter-chain interactions play a major role in the reactivity of non-substituted and substituted LA monomers and degradation rate of the non-substituted and substituted PLA, along with steric hindrance of the side chains as can be expected. PMID:28824149

Probing dissolved organic matter in the critical zone: a comparison between in situ sampling and aqueous soil extracts

NASA Astrophysics Data System (ADS)

Perdrial, J. N.; Perdrial, N.; Harpold, A. A.; Peterson, A. M.; Vasquez, A.; Chorover, J.

2011-12-01

Analyzing dissolved organic matter (DOM) of soil solution constitutes an integral activity in critical zone science as important insights to nutrient and carbon cycling and mineral weathering processes can be gained. Soil solution can be obtained by a variety of approaches such as by in situ zero-tension and tension samplers or by performing soil extracts in the lab. It is generally preferred to obtain soil solution in situ with the least amount of disturbance. However, in water limited environments, such as in southwestern US, in situ sampling is only possible during few hydrologic events and soil extracts are often employed. In order to evaluate the performance of different sampling approaches for OM analysis, results from aqueous soil extracts were compared with in situ samples obtained from suction cups and passive capillary wick samplers (PCAP's). Soil from an OA-horizon of mixed conifer forest Jemez River Basin Critical Zone Observatory (JRB-CZO) in NM was sampled twice and in situ samples from co-located suction cups and PCAPs were collected 7 times during the 2011 snowmelt period. Dissolved organic carbon and nitrogen concentrations (DOC and DN) as well as OM quality (FTIR, fluorescence spectroscopy and PARAFAC) were analyzed. The aqueous soil extracts (solid:solution = 1:5 mass basis) showed highest DOC and lowest DN concentrations whereas samples collected in-situ had lower DOC and higher DN concentrations. PARAFAC analysis using a four component model showed a dominance of fluorescence in region I and II (protein-like fluorescence) for samples collected in situ indicating the presence of more bio-molecules (proteins). In contrast, the dominant PARAFAC component of the soil extract was found in region 3 (fulvic acid-like fluorescence). FTIR analysis showed high intensity band at 1600 cm-1 in the case of the aqueous soil extract that correspond to asymmetric stretching of carboxyl groups. These preliminary results indicate that aqueous soil extracts likely lead to the underestimation of the amount of biomolecules and the overestimation of fulvic acid contents of soil solutions.

hp-Adaptive time integration based on the BDF for viscous flows

NASA Astrophysics Data System (ADS)

Hay, A.; Etienne, S.; Pelletier, D.; Garon, A.

2015-06-01

This paper presents a procedure based on the Backward Differentiation Formulas of order 1 to 5 to obtain efficient time integration of the incompressible Navier-Stokes equations. The adaptive algorithm performs both stepsize and order selections to control respectively the solution accuracy and the computational efficiency of the time integration process. The stepsize selection (h-adaptivity) is based on a local error estimate and an error controller to guarantee that the numerical solution accuracy is within a user prescribed tolerance. The order selection (p-adaptivity) relies on the idea that low-accuracy solutions can be computed efficiently by low order time integrators while accurate solutions require high order time integrators to keep computational time low. The selection is based on a stability test that detects growing numerical noise and deems a method of order p stable if there is no method of lower order that delivers the same solution accuracy for a larger stepsize. Hence, it guarantees both that (1) the used method of integration operates inside of its stability region and (2) the time integration procedure is computationally efficient. The proposed time integration procedure also features a time-step rejection and quarantine mechanisms, a modified Newton method with a predictor and dense output techniques to compute solution at off-step points.

Evaluation of Linear, Inviscid, Viscous, and Reduced-Order Modeling Aeroelastic Solutions of the AGARD 445.6 Wing Using Root Locus Analysis

NASA Technical Reports Server (NTRS)

Silva, Walter A.; Perry, Boyd III; Chwalowski, Pawel

2014-01-01

Reduced-order modeling (ROM) methods are applied to the CFD-based aeroelastic analysis of the AGARD 445.6 wing in order to gain insight regarding well-known discrepancies between the aeroelastic analyses and the experimental results. The results presented include aeroelastic solutions using the inviscid CAP-TSD code and the FUN3D code (Euler and Navier-Stokes). Full CFD aeroelastic solutions and ROM aeroelastic solutions, computed at several Mach numbers, are presented in the form of root locus plots in order to better reveal the aeroelastic root migrations with increasing dynamic pressure. Important conclusions are drawn from these results including the ability of the linear CAP-TSD code to accurately predict the entire experimental flutter boundary (repeat of analyses performed in the 1980's), that the Euler solutions at supersonic conditions indicate that the third mode is always unstable, and that the FUN3D Navier-Stokes solutions stabilize the unstable third mode seen in the Euler solutions.

sin2 θ W estimate and bounds on nonstandard interactions at source and detector in the solar neutrino low-energy regime

NASA Astrophysics Data System (ADS)

Khan, Amir N.; McKay, Douglas W.

2017-07-01

We explore the implications of the Borexino experiment's real time measurements of the lowest energy part of the neutrino spectrum from the primary pp fusion process up to 0.420 MeV through the 7Be decay at 0.862 MeV to the pep reaction at 1.44 MeV. We exploit the fact that at such low energies, the large mixing angle solution to the Mikheyev-Smirnov-Wolfenstein matter effects in the sun are small for 7Be and pep and negligible for pp. Consequently, the neutrinos produced in the sun change their flavor almost entirely through vacuum oscillations during propagation from the sun's surface and through possible nonstandard interactions acting at the solar source and Borexino detector. We combine the different NSI effects at source and detector in a single framework and use the current Borexino data to bound NSI non-universal and flavor-changing parameters at energies below the reach of reactor neutrino experiments. We also study the implication of the current data for the weak-mixing angle at this "low-energy frontier" data from the Borexino experiment, where it is expected to be slightly larger than its value at the Z mass. We find sin2 θ W = 0.224 ± 0.016, the lowest energy-scale estimate to date. Looking to the future, we use projected sensitivities to solar neutrinos in next generation dedicated solar experiments and direct dark matter detection experiments and find a potential factor five improvement in determination of the weak-mixing angle and up to an order of magnitude improvement in probing the NSI parameters space.

Antimicrobial activity of sodium hypochlorite-based irrigating solutions.

PubMed

Poggio, Claudio; Arciola, Carla Renata; Dagna, Alberto; Chiesa, Marco; Sforza, Dario; Visai, Livia

2010-09-01

The objective of the present study was the in vitro evaluation of the antimicrobial activity of three different NaOCl-based endodontic irrigating solutions: a 5.25% conventional sodium hypochlorite solution; and two new irrigating solutions, a 5.25% sodium hypochlorite solution with the addition of a proteolytic enzyme and a surfactant; and a 5.25% sodium hypochlorite gel with inorganic silicate. Enterococcus faecalis, Staphylococcus aureus and Streptococcus mutans strains were selected to evaluate the antimicrobial activity of the endodontic irrigating solutions by the agar disc diffusion test. Paper disks were saturated with each one of the tested solutions (at room temperature and pre-warmed at 45°C) and placed onto culture agar-plates pre-adsorbed with bacterial cells and further incubated for 24 h at 37°C. The growth inhibition zones around each irrigating solution were recorded and compared for each bacterial strain. The results were significantly different among the tested irrigating solutions: 5.25% sodium hypochlorite solution produced the highest inhibition areas; 5.25% sodium hypochlorite solution with a proteolytic enzyme and a surfactant, and 5.25% sodium hypochlorite gel with inorganic silicate showed the lowest zones of inhibition. Even if all tested irrigating solution possessed antibacterial activity versus all tested bacterial strains, 5.25% sodium hypochlorite solution with a proteolytic enzyme and a surfactant, and 5.25% sodium hypochlorite gel with inorganic silicate showed lower in vitro efficacy than 5.25% conventional sodium hypochlorite solution.

Second-order numerical solution of time-dependent, first-order hyperbolic equations

NASA Technical Reports Server (NTRS)

Shah, Patricia L.; Hardin, Jay

1995-01-01

A finite difference scheme is developed to find an approximate solution of two similar hyperbolic equations, namely a first-order plane wave and spherical wave problem. Finite difference approximations are made for both the space and time derivatives. The result is a conditionally stable equation yielding an exact solution when the Courant number is set to one.

On-chip quantitative detection of pathogen genes by autonomous microfluidic PCR platform.

PubMed

Tachibana, Hiroaki; Saito, Masato; Shibuya, Shogo; Tsuji, Koji; Miyagawa, Nobuyuki; Yamanaka, Keiichiro; Tamiya, Eiichi

2015-12-15

Polymerase chain reaction (PCR)-based genetic testing has become a routine part of clinical diagnoses and food testing. In these fields, rapid, easy-to-use, and cost-efficient PCR chips are expected to be appeared for providing such testing on-site. In this study, a new autonomous disposable plastic microfluidic PCR chip was created, and was utilized for quantitative detection of pathogenic microorganisms. To control the capillary flow of the following solution in the PCR microchannel, a driving microchannel was newly designed behind the PCR microchannel. This allowed the effective PCR by simply dropping the PCR solution onto the inlet without any external pumps. In order to achieve disposability, injection-molded cyclo-olefin polymer (COP) of a cost-competitive plastic was used for the PCR chip. We discovered that coating the microchannel walls with non-ionic surfactant produced a suitable hydrophilic surface for driving the capillary flow through the 1250-mm long microchannel. As a result, quantitative real-time PCR with the lowest initial concentration of human, Escherichia coli (E. coli), and pathogenic E. coli O157 genomic DNA of 4, 0.0019, 0.031 pg/μl, respectively, was successfully achieved in less than 18 min. Our results indicate that the platform presented in this study provided a rapid, easy-to-use, and low-cost real-time PCR system that could be potentially used for on-site gene testing. Copyright © 2015 Elsevier B.V. All rights reserved.

Base-driven sunlight oxidation of silver nanoprisms for label-free visual colorimetric detection of hexahydro-1,3,5-trinitro-1,3,5-triazine explosive.

PubMed

He, Yi; Wang, Li

2017-05-05

Here we report a label-free method for visual colorimetric detection of hexahydro-1,3,5-trinitro-1,3,5-triazine (HTT) explosive based on base-driven sunlight oxidation of silver nanoprisms (AgNPRs). Under natural sunlight illumination, the surface plasmon of AgNPRs is excited, which populates O 2 antibonding orbitals to generate negative-ion state (O 2 - ). The resultant O 2 - with a strong oxidation activity can etch AgNPRs to smaller nanodisks with the aid of NaOH aqueous solution, leading to a blue shift of the absorption peak and color change from blue to pink. However, when HTT is introduced, the resultant O 2 - will be consumed by the nitrite and formaldehyde that are produced from the alkaline hydrolysis of HTT. Under this condition, the etching of AgNPRs does not occur, and the detection solution remains blue. This assay can sensitively detect as low as 1nM HTT, a level which is three orders of magnitude lower than that of gold nanoparticle-based colorimetric assays (2.6μM), and shows linearity in the range of 0.003-3.3μM. The lowest detectable concentration with the naked eye is 0.1μM. Additionally, the present assay exhibits good selectivity, and can be applied in the detection of HTT in natural water and soil samples with recoveries ranging from 90% to 100%. Copyright © 2017 Elsevier B.V. All rights reserved.

Washing as a remediation technology applicable in soils heavily polluted by mining-metallurgical activities.

PubMed

Moutsatsou, A; Gregou, M; Matsas, D; Protonotarios, V

2006-06-01

A permanent solution in order to remediate a heavily contaminated soil is washing it utilizing the appropriate reagents. The study presented in this paper deals with the washing of a soil highly polluted by mining and metallurgical activities. Pollution consists of slags, sulphur compound waste and various low grade lead condensates, all rich in heavy metals and metalloids (Pb, As, Cu, Zn, Mn and Fe). Soil was washed with deionized water, 6, 3, 2 and 1 M HCl, 6 M H(2)SO(4), 6 M HNO(3) and 0.1 M Na(2)EDTA. High extraction efficiency was achieved with respect to hydrochloric acid even at the lowest concentration; the solubility of pollutants in nitric acid was low, while sulphuric acid was proven to be problematic with respect to lead. Mobilization of metals and metalloids under DI water effect was minimal indicating that the elements fraction that is weakly bound to soil particles is insignificant. Furthermore, a kinetic study was undertaken, utilizing 1 M HCl and 0.1 M Na(2)EDTA. Results illustrated that 1 M HCl was more effective for intermediate mixing times (up to 4 h) while 0.1 M Na(2)EDTA was better applicable to short mixing times (<1 h) and low pH values (pH < 7.1). 1 M HCl was proven to be very effective for the removal of pollutants from contaminated soil but the high metal content of the resulting solution necessitates further treatment for the retention of metals.

Ion Diffusion Within Water Films in Unsaturated Porous Media.

PubMed

Tokunaga, Tetsu K; Finsterle, Stefan; Kim, Yongman; Wan, Jiamin; Lanzirotti, Antonio; Newville, Matthew

2017-04-18

Diffusion is important in controlling local solute transport and reactions in unsaturated soils and geologic formations. Although it is commonly assumed that thinning of water films controls solute diffusion at low water contents, transport under these conditions is not well understood. We conducted experiments in quartz sands at low volumetric water contents (θ) to quantify ion diffusion within adsorbed films. At the lowest water contents, we employed fixed relative humidities to control water films at nm thicknesses. Diffusion profiles for Rb + and Br - in unsaturated sand packs were measured with a synchrotron X-ray microprobe, and inverse modeling was used to determine effective diffusion coefficients, D e, as low as ∼9 × 10 -15 m 2 s -1 at θ = 1.0 × 10 -4 m 3 m -3 , where the film thickness = 0.9 nm. Given that the diffusion coefficients (D o ) of Rb + and Br - in bulk water (30 °C) are both ∼2.4 × 10 -9 m 2 s -1 , we found the impedance factor f = D e /(θD o ) is equal to 0.03 ± 0.02 at this very low saturation, in agreement with the predicted influence of interface tortuosity (τ a ) for diffusion along grain surfaces. Thus, reduced cross-sectional area (θ) and tortuosity largely accounted for the more than 5 orders of magnitude decrease in D e relative to D o as desaturation progressed down to nanoscale films.

Broad-search algorithms for the spacecraft trajectory design of Callisto-Ganymede-Io triple flyby sequences from 2024 to 2040, Part II: Lambert pathfinding and trajectory solutions

NASA Astrophysics Data System (ADS)

Lynam, Alfred E.

2014-01-01

Triple-satellite-aided capture employs gravity-assist flybys of three of the Galilean moons of Jupiter in order to decrease the amount of ΔV required to capture a spacecraft into Jupiter orbit. Similarly, triple flybys can be used within a Jupiter satellite tour to rapidly modify the orbital parameters of a Jovicentric orbit, or to increase the number of science flybys. In order to provide a nearly comprehensive search of the solution space of Callisto-Ganymede-Io triple flybys from 2024 to 2040, a third-order, Chebyshev's method variant of the p-iteration solution to Lambert's problem is paired with a second-order, Newton-Raphson method, time of flight iteration solution to the V∞-matching problem. The iterative solutions of these problems provide the orbital parameters of the Callisto-Ganymede transfer, the Ganymede flyby, and the Ganymede-Io transfer, but the characteristics of the Callisto and Io flybys are unconstrained, so they are permitted to vary in order to produce an even larger number of trajectory solutions. The vast amount of solution data is searched to find the best triple-satellite-aided capture window between 2024 and 2040.

Self-assembly of water-soluble nanocrystals

DOEpatents

Fan, Hongyou [Albuquerque, NM; Brinker, C Jeffrey [Albuquerque, NM; Lopez, Gabriel P [Albuquerque, NM

2012-01-10

A method for forming an ordered array of nanocrystals where a hydrophobic precursor solution with a hydrophobic core material in an organic solvent is added to a solution of a surfactant in water, followed by removal of a least a portion of the organic solvent to form a micellar solution of nanocrystals. A precursor co-assembling material, generally water-soluble, that can co-assemble with individual micelles formed in the micellar solution of nanocrystals can be added to this micellar solution under specified reaction conditions (for example, pH conditions) to form an ordered-array mesophase material. For example, basic conditions are used to precipitate an ordered nanocrystal/silica array material in bulk form and acidic conditions are used to form an ordered nanocrystal/silica array material as a thin film.

Microbial utilization of low molecular weight organics in soil depends on the substances properties

NASA Astrophysics Data System (ADS)

Gunina, Anna

2016-04-01

Utilization of low molecular weight organic substances (LMWOS) in soil is regulated by microbial uptake from solution and following incorporation of into specific cell cycles. Various chemical properties of LMWOS, namely oxidation state, number of carbon (C) atoms, number of carboxylic (-COOH) groups, can affect their uptake from soil solution and further microbial utilization. The aim of the study was to trace the initial fate (including the uptake from soil solution and utilization by microorganisms) of three main classes of LMWOS, having contrast properties - sugars, carboxylic and amino acids. Top 10 cm of mineral soil were collected under Silver birch stands within the Bangor DIVERSE experiment, UK. Soil solution was extracted by centrifugation at 4000 rpm during 15 min. Soil was spiked with 14C glucose or fructose; malic, succinic or formic acids; alanine or glycine. No additional non-labeled LMWOS were added. 14C was traced in the dissolved organic matter (DOM), CO2, cytosol and soil organic matter (SOM) during one day. To estimate half-life times (T1 /2)of LMWOS in soil solution and in SOM pools, the single and double first order kinetic equations were fitted to the uptake and mineralization dynamics, respectively. The LMWOS T1 /2in DOM pool varied between 0.6-5 min, with the highest T1 /2for sugars (3.7 min) and the lowest for carboxylic acids (0.6-1.4 min). Thus, initial uptake of LMWOS is not a limiting step of microbial utilization. The T1 /2 of carboxylic and amino acids in DOM were closely related with oxidation state, showing that reduced substances remain in soil solution longer, than oxidized. The initial T1 /2 of LMWOS in SOM ranged between 30-80 min, with the longest T1 /2 for amino acids (50-80 min) and the shortest for carboxylic acids (30-48 min). These T1 /2values were in one-two orders of magnitude higher than LMWOS T1 /2 in soil solution, pointing that LMWOS mineralization occur with a delay after the uptake. Absence of correlations between LMWOS T1 /2 in SOM with C oxidation state, number of C atoms or number of -COOH groups in LMWOS demonstrates that intercellular metabolic pathways are more important. Mineralization of LMWOS amounted for 20-90% of total applied amount. Maximum mineralization was found for carboxylic acids and minimum for sugars, whereas 14C incorporation into cytosol and SOM pools followed the opposite trend. There were close positive correlation between the portion of mineralized C and substance oxidation state, but negative with the amount of C incorporated into the cytosol and SOM pools. This shows that substance properties affect the final partitioning of LMWOS-C between mineralized and utilized pools. Thus, initial uptake of LMWOS from soil solution and final partitioning of LMWOS-C between the mineralized and microbially utilized pools are related to their chemical properties. In contrast, LMWOS mineralization dynamics is regulated by intercellular metabolization pathways.

Extended calculations of energies, transition rates, and lifetimes for F-like Kr XXVIII

NASA Astrophysics Data System (ADS)

Zhang, C. Y.; Si, R.; Yao, K.; Gu, M. F.; Wang, K.; Chen, C. Y.

2018-02-01

The excitation energies, lifetimes, wavelengths and E1, E2, M1 and M2 transition rates for the lowest 389 levels of the 2l7, 2l63l‧, 2l64l‧, and 2l65l‧ configurations from second-order many-body perturbation theory (MBPT) calculations, and the results for the lowest 200 states of the 2l7, 2l63l‧, and 2l64l‧ configurations from multi-configuration Dirac-Hartree-Fock (MCDHF) calculations in F-like Kr XXVIII are presented in this work. The relative differences between our two sets of level energies are mostly within 0.005% for the lowest 200 levels. Comparisons are made with experimental and other available theoretical results to assess the reliability and accuracy of the present calculations. We believe them to be the most complete and accurate results for Kr XXVIII at present.

Efficient One-Step Electrolytic Recycling of Low-Grade and Post-Consumer Magnesium Scrap

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adam C. Powell, IV

2012-07-19

Metal Oxygen Separation Technologies, Inc. (abbreviated MOxST, pronounced most) and Boston University (BU) have developed a new low-cost process for recycling post-consumer co-mingled and heavily-oxidized magnesium scrap, and discovered a new chemical mechanism for magnesium separations in the process. The new process, designated MagReGenTM, is very effective in laboratory experiments, and on scale-up promises to be the lowest-cost lowest-energy lowest-impact method for separating magnesium metal from aluminum while recovering oxidized magnesium. MagReGenTM uses as little as one-eighth as much energy as today's methods for recycling magnesium metal from comingled scrap. As such, this technology could play a vital role inmore » recycling automotive non-ferrous metals, particularly as motor vehicle magnesium/aluminum ratios increase in order to reduce vehicle weight and increase efficiency.« less

Abel's Theorem Simplifies Reduction of Order

ERIC Educational Resources Information Center

Green, William R.

2011-01-01

We give an alternative to the standard method of reduction or order, in which one uses one solution of a homogeneous, linear, second order differential equation to find a second, linearly independent solution. Our method, based on Abel's Theorem, is shorter, less complex and extends to higher order equations.

Third-order dissipative hydrodynamics from the entropy principle

NASA Astrophysics Data System (ADS)

El, Andrej; Xu, Zhe; Greiner, Carsten

2010-06-01

We review the entropy based derivation of third-order hydrodynamic equations and compare their solutions in one-dimensional boost-invariant geometry with calculations by the partonic cascade BAMPS. We demonstrate that Grad's approximation, which underlies the derivation of both Israel-Stewart and third-order equations, describes the transverse spectra from BAMPS with high accuracy. At the same time solutions of third-order equations are much closer to BAMPS results than solutions of Israel-Stewart equations. Introducing a resummation scheme for all higher-oder corrections to one-dimensional hydrodynamic equation we demonstrate the importance of higher-order terms if the Knudsen number is large.

Vertical Structure of Phyllosphere Fungal Communities in a Tropical Forest in Thailand Uncovered by High-Throughput Sequencing.

PubMed

Izuno, Ayako; Kanzaki, Mamoru; Artchawakom, Taksin; Wachrinrat, Chongrak; Isagi, Yuji

2016-01-01

Phyllosphere fungi harbor a tremendous species diversity and play important ecological roles. However, little is known about their distribution patterns within forest ecosystems. We examined how species diversity and community composition of phyllosphere fungi change along a vertical structure in a tropical forest in Thailand. Fungal communities in 144 leaf samples from 19 vertical layers (1.28-34.4 m above ground) of 73 plant individuals (27 species) were investigated by metabarcoding analysis using Ion Torrent sequencing. In total, 1,524 fungal operational taxonomic units (OTUs) were detected among 890,710 reads obtained from the 144 leaf samples. Taxonomically diverse fungi belonging to as many as 24 orders of Ascomycota and 21 orders of Basidiomycota were detected, most of which inhabited limited parts of the lowest layers closest to the forest floor. Species diversity of phyllosphere fungi was the highest in the lowest layers closest to the forest floor, decreased with increasing height, and lowest in the canopy; 742 and 55 fungal OTUs were detected at the lowest and highest layer, respectively. On the layers close to the forest floor, phyllosphere fungal communities were mainly composed of low frequency OTUs and largely differentiated among plant individuals. Conversely, in the canopy, fungal communities consisted of similar OTUs across plant individuals, and as many as 86.1%-92.7% of the OTUs found in the canopy (≥22 m above ground) were also distributed in the lower layers. Overall, our study showed the variability of phyllosphere fungal communities along the vertical gradient of plant vegetation and environmental conditions, suggesting the significance of biotic and abiotic variation for the species diversity of phyllosphere fungi.

Stress Corrosion Cracking Behavior of Interstitial Free Steel Via Slow Strain Rate Technique

NASA Astrophysics Data System (ADS)

Murkute, Pratik; Ramkumar, J.; Mondal, K.

2016-07-01

An interstitial free steel is subjected to slow strain rate tests to investigate the stress corrosion cracking (SCC) behavior at strain rates ranging from 10-4 to 10-6s-1 in air and 3.5 wt.% NaCl solution. The ratios of time to failure, failure strain, and ultimate tensile stress at different strain rates in air to that in corrosive were considered as SCC susceptibility. Serrated stress-strain curve observed at lowest strain rate is explained by the Portevin-Le Chatelier effect. Maximum susceptibility to SCC at lowest strain rate is attributed to the soluble γ-FeOOH in the rust analyzed by Fourier Transformed Infrared spectroscopy. Mechanism for SCC relates to the anodic dissolution forming the groove, where hydrogen embrittlement can set in and finally fracture happens due to triaxiality.

On the exact solutions of high order wave equations of KdV type (I)

NASA Astrophysics Data System (ADS)

Bulut, Hasan; Pandir, Yusuf; Baskonus, Haci Mehmet

2014-12-01

In this paper, by means of a proper transformation and symbolic computation, we study high order wave equations of KdV type (I). We obtained classification of exact solutions that contain soliton, rational, trigonometric and elliptic function solutions by using the extended trial equation method. As a result, the motivation of this paper is to utilize the extended trial equation method to explore new solutions of high order wave equation of KdV type (I). This method is confirmed by applying it to this kind of selected nonlinear equations.

A High-Order Low-Order Algorithm with Exponentially Convergent Monte Carlo for Thermal Radiative Transfer

DOE PAGES

Bolding, Simon R.; Cleveland, Mathew Allen; Morel, Jim E.

2016-10-21

In this paper, we have implemented a new high-order low-order (HOLO) algorithm for solving thermal radiative transfer problems. The low-order (LO) system is based on the spatial and angular moments of the transport equation and a linear-discontinuous finite-element spatial representation, producing equations similar to the standard S 2 equations. The LO solver is fully implicit in time and efficiently resolves the nonlinear temperature dependence at each time step. The high-order (HO) solver utilizes exponentially convergent Monte Carlo (ECMC) to give a globally accurate solution for the angular intensity to a fixed-source pure-absorber transport problem. This global solution is used tomore » compute consistency terms, which require the HO and LO solutions to converge toward the same solution. The use of ECMC allows for the efficient reduction of statistical noise in the Monte Carlo solution, reducing inaccuracies introduced through the LO consistency terms. Finally, we compare results with an implicit Monte Carlo code for one-dimensional gray test problems and demonstrate the efficiency of ECMC over standard Monte Carlo in this HOLO algorithm.« less

The workings of a molecular thermometer: the vibrational excitation of carbon tetrachloride by a solvent.

PubMed

Graham, Polly B; Matus, Kira J M; Stratt, Richard M

2004-09-15

An intriguing energy-transfer experiment was recently carried out in methanol/carbon tetrachloride solutions. It turned out to be possible to watch vibrational energy accumulating in three of carbon tetrachloride's modes following initial excitation of O-H and C-H stretches in methanol, in effect making those CCl(4) modes "molecular thermometers" reporting on methanol's relaxation. In this paper, we use the example of a CCl(4) molecule dissolved in liquid argon to examine, on a microscopic level, just how this kind of thermal activation occurs in liquid solutions. The fact that even the lowest CCl(4) mode has a relatively high frequency compared to the intermolecular vibrational band of the solvent means that the only solute-solvent dynamics relevant to the vibrational energy transfer will be extraordinarily local, so much so that it is only the force between the instantaneously most prominent Cl and solvent atoms that will significantly contribute to the vibrational friction. We use this observation, within the context of a classical instantaneous-pair Landau-Teller calculation, to show that energy flows into CCl(4) primarily via one component of the nominally degenerate, lowest frequency, E mode and does so fast enough to make CCl(4) an excellent choice for monitoring methanol relaxation. Remarkably, within this theory, the different symmetries and appearances of the different CCl(4) modes have little bearing on how well they take up energy from their surroundings--it is only how high their vibrational frequencies are relative to the solvent intermolecular vibrational band edge that substantially favors one mode over another.

Electrothermal vaporization of mineral acid solutions in inductively coupled plasma mass spectrometry: comparison with sample nebulization

NASA Astrophysics Data System (ADS)

Mora, Juan; Gras, Luis; van Veen, Eric H.; de Loos-Vollebregt, Margaretha T. C.

1999-06-01

The analytical behaviour of an electrothermal vaporization (ETV) device for the introduction of mineral acid solutions in inductively coupled plasma mass spectrometry (ICP-MS) was evaluated. Water, nitric acid, hydrochloric acid, perchloric acid and sulphuric acid in concentrations within the 0.05-1.0 mol l-1 range were studied. For all the acids tested, increasing the acid concentration increases the ion signal and deteriorates the precision. The magnitude of the signal enhancement depends on the analyte and on the acid considered. Acid solutions give rise to ion signals that are between 2 and 10 times higher than those with water. Among the acids tested, sulphuric acid provides the highest signals. The addition of palladium reduces matrix effects due to the acids and increases the signal in ETV ICP-MS. In comparison with conventional sample nebulization (CS), the ETV sample introduction system provides higher sensitivities (between 2 and 20 times higher) at the same acid concentration. The magnitude of this improvement is similar to that obtained with a microwave desolvation system (MWDS). The ETV sample introduction system gives rise to the lowest background signals from matrix-induced species. Due to this fact, the limits of detection (LODs) obtained for the isotopes affected by any interference are lower for ETV sample introduction than those obtained with the CS and the MWDS. For the isotopes that do not suffer from matrix-induced spectral interferences, the ETV gives rise to LODs higher than those obtained with the CS. For these isotopes the lowest LODs are obtained with MWDS.

Comparative semiempirical and ab initio study of the structural and chemical properties of uric acid and its anions

NASA Astrophysics Data System (ADS)

Altarsha, Muhannad; Monard, Gérald; Castro, Bertrand

Semiempirical, density functional theory (DFT), and ab initio calculations have been performed to assess the relative stabilities of 15 possible tautomer forms of neutral uric acid, and of the different urate mono- and dianion forms. These methods have also been used to compute ionization potentials (IPs) for uric acid and its derived anions. Overall, we have found that semiempirical calculations, in particular PM3, perform well as compared with B3LYP or MP2 computations toward these different structural and chemical properties of uric acid: the triketo form of uric acid is the most stable tautomer form of neutral uric acid. Three other tautomer forms are relatively close in energy, within the range 2-6 kcal/mol above the triketo form, with a mean energy deviation of only 1.3 kcal/mol between PM3 and DFT or ab initio results; the monoanion form of uric acid obtained by abstracting one proton in position 3 (denoted UAN3-) is the most stable form among all four possible urate monoanions both in gas phase and in solution; the dianion form of uric acid obtained by abstracting two protons, respectively, in positions 3 and 9 of uric acid (denoted UAN3-N9-) is the most stable urate dianion form both in gas phase and in solution. However, these two most stable species do not have the lowest IPs in solution: among monoanions and dianions, respectively, the species with the lowest IPs are UAN7- and UAN7-N9-.

Hypergeometric Series Solution to a Class of Second-Order Boundary Value Problems via Laplace Transform with Applications to Nanofluids

NASA Astrophysics Data System (ADS)

Ebaid, Abdelhalim; Wazwaz, Abdul-Majid; Alali, Elham; Masaedeh, Basem S.

2017-03-01

Very recently, it was observed that the temperature of nanofluids is finally governed by second-order ordinary differential equations with variable coefficients of exponential orders. Such coefficients were then transformed to polynomials type by using new independent variables. In this paper, a class of second-order ordinary differential equations with variable coefficients of polynomials type has been solved analytically. The analytical solution is expressed in terms of a hypergeometric function with generalized parameters. Moreover, applications of the present results have been applied on some selected nanofluids problems in the literature. The exact solutions in the literature were derived as special cases of our generalized analytical solution.

Vector critical points and generalized quasi-efficient solutions in nonsmooth multi-objective programming.

PubMed

Wang, Zhen; Li, Ru; Yu, Guolin

2017-01-01

In this work, several extended approximately invex vector-valued functions of higher order involving a generalized Jacobian are introduced, and some examples are presented to illustrate their existences. The notions of higher-order (weak) quasi-efficiency with respect to a function are proposed for a multi-objective programming. Under the introduced generalization of higher-order approximate invexities assumptions, we prove that the solutions of generalized vector variational-like inequalities in terms of the generalized Jacobian are the generalized quasi-efficient solutions of nonsmooth multi-objective programming problems. Moreover, the equivalent conditions are presented, namely, a vector critical point is a weakly quasi-efficient solution of higher order with respect to a function.

Antioxidant effects of soy sauce on color stability and lipid oxidation of raw beef patties during cold storage.

PubMed

Kim, Hyun-Wook; Choi, Yun-Sang; Choi, Ji-Hun; Kim, Hack-Youn; Hwang, Ko-Eun; Song, Dong-Heon; Lee, Soo-Yoen; Lee, Mi-Ai; Kim, Cheon-Jei

2013-11-01

This study was conducted to evaluate the antioxidant effects of soy sauce on lipid oxidation and color stability of raw beef patties. Raw beef patties were formulated with four solutions such as NaCl (sodium chloride solution), NaCl/SS (1:1 ratio of sodium chloride and soy sauce solution), SS (soy sauce solution), or SS/A (soy sauce solution combined with 0.05% ascorbic acid) in the same salt concentration. Addition of soy sauce resulted in the decreased pH, lightness, and increased yellowness. Treatment SS/A had the lowest percent of metmyoglobin during storage (P<0.05). A reduction (P<0.05) in the 2-thiobarbituric acid, peroxide, and conjugated diene concentration as result of soy sauce addition were observed in treatments SS and SS/A at the end of the storage period. There were no differences (P>0.05) in free fatty acid concentration at the end of storage. The combined addition of soy sauce and ascorbic acid greatly improved (P<0.05) color stability and retarded lipid oxidation. Copyright © 2013 Elsevier Ltd. All rights reserved.

The DoD’s Use of Lowest Price Technically Acceptable (LPTA) Price Selection

DTIC Science & Technology

2013-09-01

Federal Aviation Administration had to resort to reducing the hours of its 47,000 employees, while the National Institutes of Health will issue...billion, including awards for forklifts for the Navy ($22.5 million), industrial hygiene services for a health clinic ($4.8 billion), and... overworked and understaffed. In submitted testimony to Congress, Allan Burman (Doing Business, 2012), President of Jefferson Solutions, which

Iron binding to caseins in the presence of orthophosphate.

PubMed

Mittal, V A; Ellis, A; Ye, A; Edwards, P J B; Das, S; Singh, H

2016-01-01

As adding >5mM ferric chloride to sodium caseinate solutions results in protein precipitation, the effects of orthophosphate (0-64 mM) addition to sodium caseinate solution (2% w/v protein) on iron-induced aggregation of the caseins were studied at pH 6.8. Up to 20mM ferric chloride could be added to sodium caseinate solution containing 32 mM orthophosphate without any protein precipitation. The addition of iron to sodium caseinate solution containing orthophosphate reduced the diffusible phosphorus content in a concentration-dependent manner. Added iron appeared to interact simultaneously with phosphoserine on the caseins and inorganic phosphorus. The relative sizes of the casein aggregates were governed by the concentration of orthophosphate and the aggregates consisted of all casein fractions, even at the lowest level of ferric chloride addition (5mM). It is hypothesised that the addition of iron to caseins in the presence of orthophosphate results in the formation of colloidal structures involving casein-iron-orthophosphate interactions. Copyright © 2015 Elsevier Ltd. All rights reserved.

The marriage problem and the fate of bachelors

NASA Astrophysics Data System (ADS)

Nieuwenhuizen, Th. M.

In the marriage problem, a variant of the bi-parted matching problem, each member has a “wish-list” expressing his/her preference for all possible partners; this list consists of random, positive real numbers drawn from a certain distribution. One searches the lowest cost for the society, at the risk of breaking up pairs in the course of time. Minimization of a global cost function (Hamiltonian) is performed with statistical mechanics techniques at a finite fictitious temperature. The problem is generalized to include bachelors, needed in particular when the groups have different size, and polygamy. Exact solutions are found for the optimal solution ( T=0). The entropy is found to vanish quadratically in T. Also, other evidence is found that the replica symmetric solution is exact, implying at most a polynomial degeneracy of the optimal solution. Whether bachelors occur or not, depends not only on their intrinsic qualities, or lack thereof, but also on global aspects of the chance for pair formation in society.

Improved source inversion from joint measurements of translational and rotational ground motions

NASA Astrophysics Data System (ADS)

Donner, S.; Bernauer, M.; Reinwald, M.; Hadziioannou, C.; Igel, H.

2017-12-01

Waveform inversion for seismic point (moment tensor) and kinematic sources is a standard procedure. However, especially in the local and regional distances a lack of appropriate velocity models, the sparsity of station networks, or a low signal-to-noise ratio combined with more complex waveforms hamper the successful retrieval of reliable source solutions. We assess the potential of rotational ground motion recordings to increase the resolution power and reduce non-uniquenesses for point and kinematic source solutions. Based on synthetic waveform data, we perform a Bayesian (i.e. probabilistic) inversion. Thus, we avoid the subjective selection of the most reliable solution according the lowest misfit or other constructed criterion. In addition, we obtain unbiased measures of resolution and possible trade-offs. Testing different earthquake mechanisms and scenarios, we can show that the resolution of the source solutions can be improved significantly. Especially depth dependent components show significant improvement. Next to synthetic data of station networks, we also tested sparse-network and single station cases.

Tabu search algorithm for the distance-constrained vehicle routing problem with split deliveries by order.

PubMed

Xia, Yangkun; Fu, Zhuo; Pan, Lijun; Duan, Fenghua

2018-01-01

The vehicle routing problem (VRP) has a wide range of applications in the field of logistics distribution. In order to reduce the cost of logistics distribution, the distance-constrained and capacitated VRP with split deliveries by order (DCVRPSDO) was studied. We show that the customer demand, which can't be split in the classical VRP model, can only be discrete split deliveries by order. A model of double objective programming is constructed by taking the minimum number of vehicles used and minimum vehicle traveling cost as the first and the second objective, respectively. This approach contains a series of constraints, such as single depot, single vehicle type, distance-constrained and load capacity limit, split delivery by order, etc. DCVRPSDO is a new type of VRP. A new tabu search algorithm is designed to solve the problem and the examples testing show the efficiency of the proposed algorithm. This paper focuses on constructing a double objective mathematical programming model for DCVRPSDO and designing an adaptive tabu search algorithm (ATSA) with good performance to solving the problem. The performance of the ATSA is improved by adding some strategies into the search process, including: (a) a strategy of discrete split deliveries by order is used to split the customer demand; (b) a multi-neighborhood structure is designed to enhance the ability of global optimization; (c) two levels of evaluation objectives are set to select the current solution and the best solution; (d) a discriminating strategy of that the best solution must be feasible and the current solution can accept some infeasible solution, helps to balance the performance of the solution and the diversity of the neighborhood solution; (e) an adaptive penalty mechanism will help the candidate solution be closer to the neighborhood of feasible solution; (f) a strategy of tabu releasing is used to transfer the current solution into a new neighborhood of the better solution.

Tabu search algorithm for the distance-constrained vehicle routing problem with split deliveries by order

PubMed Central

Xia, Yangkun; Pan, Lijun; Duan, Fenghua

2018-01-01

The vehicle routing problem (VRP) has a wide range of applications in the field of logistics distribution. In order to reduce the cost of logistics distribution, the distance-constrained and capacitated VRP with split deliveries by order (DCVRPSDO) was studied. We show that the customer demand, which can’t be split in the classical VRP model, can only be discrete split deliveries by order. A model of double objective programming is constructed by taking the minimum number of vehicles used and minimum vehicle traveling cost as the first and the second objective, respectively. This approach contains a series of constraints, such as single depot, single vehicle type, distance-constrained and load capacity limit, split delivery by order, etc. DCVRPSDO is a new type of VRP. A new tabu search algorithm is designed to solve the problem and the examples testing show the efficiency of the proposed algorithm. This paper focuses on constructing a double objective mathematical programming model for DCVRPSDO and designing an adaptive tabu search algorithm (ATSA) with good performance to solving the problem. The performance of the ATSA is improved by adding some strategies into the search process, including: (a) a strategy of discrete split deliveries by order is used to split the customer demand; (b) a multi-neighborhood structure is designed to enhance the ability of global optimization; (c) two levels of evaluation objectives are set to select the current solution and the best solution; (d) a discriminating strategy of that the best solution must be feasible and the current solution can accept some infeasible solution, helps to balance the performance of the solution and the diversity of the neighborhood solution; (e) an adaptive penalty mechanism will help the candidate solution be closer to the neighborhood of feasible solution; (f) a strategy of tabu releasing is used to transfer the current solution into a new neighborhood of the better solution. PMID:29763419

All substituted nickel porphyrins are highly nonplanar

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shelnutt, J.A.; Song, X.Z.; Jentzen, W.

1996-12-31

X-ray crystallographic and resonance Raman studies show that only un-substituted Ni porphine is planar in solution; all substituted Ni porphyrin derivatives either are nonplanar or exist as a mixture of planar and nonplanar conformers in solution. Recent modifications in a molecular mechanics force field improve the ability the MM calculations to predict the X-ray structures of porphyrins and also the planar-nonplanar conformational equilibria in many cases. Calculations using the new force field suggests that all geoporphyrins will be highly nonplanar, especially those having meso substituents. The nonplanarity is expected to influence properties such as solubility and metallation/dematallation reactions. Further, amore » method of quantifying these nonplanar structures has been devised; any porphyrin structure can be decomposed into displacements along the out-of-plane normal coordinates. However, usually distortions along only the lowest-frequency normal modes of each symmetry type are required to adequately describe the structure. The lowest-frequency normal coordinates of b{sub lu}, a{sub 2u}, b{sub 2u}, and e{sub g} symmetries correspond to commonly observed symmetric distortions called ruffling (ruf), doming(dom), saddling (sad), and waving (wav(x), wav(y)). The application of this structural decomposition method to several problems including the influences of steric crowding and protein folding on porphyrin conformation will be described.« less

Solute accumulation and elastic modulus changes in six radiata pine breeds exposed to drought.

PubMed

De Diego, N; Sampedro, M C; Barrio, R J; Saiz-Fernández, I; Moncaleán, P; Lacuesta, M

2013-01-01

Drought is one of the main abiotic factors that determine forest species growth, survival and productivity. For this reason, knowledge of plant drought response and the identification of physiological traits involved in stress tolerance will be of interest to breeding programs. In this work, several Pinus radiata D. Don breeds from different geographical origins were evaluated along a water stress period (4 weeks) and subsequent rewatering (1 week), showing different responses among them. Leaf water potential (Ψ(leaf)) and osmotic potential decreases were accompanied by a variation in the total relative water content (RWC, %). The most tolerant breeds presented the lowest leaf water potential and RWC at turgor loss point, and showed the lowest elastic modulus (ε) values. A high ε value was a characteristic of a less-drought-tolerant plant and was related to membrane alterations (high electrolyte leakage percentages) that could favor cell water loss. Of the group of solutes that contributed to osmotic adjustment, soluble carbohydrates were the most abundant, although stressed plants also increased their content of free amino acids [mainly proline (Pro) and glutamic acid (Glu), and γ-aminobutyric acid (GABA)] and free polyamines. In addition, the most sensitive breeds had a higher GABA/Glu ratio. After rewatering, Pro and GABA were higher in rehydrated plants than in controls.

Lense-Thirring Precession and Quasi-periodic Oscillations in X-Ray Binaries

NASA Astrophysics Data System (ADS)

Marković , Dragoljub; Lamb, Frederick K.

1998-11-01

It has recently been suggested that gravitomagnetic precession of the inner part of the accretion disk, possibly driven by radiation torques, may be responsible for some of the quasi-periodic X-ray brightness oscillations (QPOs) and other spectral features with frequencies between 20 and 300 Hz observed in the power spectra of some low-mass binary systems containing accreting neutron stars and black hole candidates. We have explored the free and driven normal modes of geometrically thin disks in the presence of gravitomagnetic and radiation warping torques. We have found a family of low-frequency gravitomagnetic (LFGM) modes with precession frequencies that range from the lowest frequency allowed by the size of the disk up to a certain critical frequency ωcrit, which is ~1 Hz for a compact object of solar mass. The lowest frequency (lowest order) LFGM modes are similar to the previously known radiation warping modes, extend over much of the disk, and have damping rates >~10 times their precession frequencies. The highest frequency LFGM modes are tightly wound spiral corrugations of the disk that extend to ~10 times its inner radius and have damping rates >~103 times their precession frequencies. A radiation warping torque can cause a few of the lowest frequency LFGM modes to grow with time, but even a strong radiation warping torque has essentially no effect on the LFGM modes with frequencies >~10-4 Hz. We have also discovered a second family of high-frequency gravitomagnetic (HFGM) modes with precession frequencies that range from ωcrit up to slightly less than the gravitomagnetic precession frequency ωgm,i of a particle at the inner edge of the disk, which is 30 Hz if the disk extends inward to the innermost stable circular orbit around a 2 M⊙ compact object with dimensionless angular momentum cJ/GM2 = 0.2. The lowest frequency HFGM modes are very strongly damped and have warp functions and precession frequencies very similar to those of the highest frequency LFGM modes. In contrast, the highest frequency (lowest order) HFGM modes are very localized spiral corrugations of the inner disk and are weakly damped, with Q-values of ~2-50. We discuss the implications of our results for the observability of Lense-Thirring precession in X-ray binaries.

Boosting standard order sets utilization through clinical decision support.

PubMed

Li, Haomin; Zhang, Yinsheng; Cheng, Haixia; Lu, Xudong; Duan, Huilong

2013-01-01

Well-designed standard order sets have the potential to integrate and coordinate care by communicating best practices through multiple disciplines, levels of care, and services. However, there are several challenges which certainly affected the benefits expected from standard order sets. To boost standard order sets utilization, a problem-oriented knowledge delivery solution was proposed in this study to facilitate access of standard order sets and evaluation of its treatment effect. In this solution, standard order sets were created along with diagnostic rule sets which can trigger a CDS-based reminder to help clinician quickly discovery hidden clinical problems and corresponding standard order sets during ordering. Those rule set also provide indicators for targeted evaluation of standard order sets during treatment. A prototype system was developed based on this solution and will be presented at Medinfo 2013.

The Shannon entropy information for mixed Manning Rosen potential in D-dimensional Schrodinger equation

NASA Astrophysics Data System (ADS)

Suparmi, A.; Cari, C.; Nur Pratiwi, Beta; Arya Nugraha, Dewanta

2017-01-01

D dimensional Schrodinger equation for the mixed Manning Rosen potential was investigated using supersymmetric quantum mechanics. We obtained the energy eigenvalues from radial part solution and wavefunctions in radial and angular parts solution. From the lowest radial wavefunctions, we evaluated the Shannon entropy information using Matlab software. Based on the entropy densities demonstrated graphically, we obtained that the wave of position information entropy density moves right when the value of potential parameter q increases, while its wave moves left with the increase of parameter α. The wave of momentum information entropy densities were expressed in graphs. We observe that its amplitude increase with increasing parameter q and α

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jinlong, Lv, E-mail: ljlbuaa@126.com; State Key Lab of New Ceramic and Fine Processing, Tsinghua University, Beijing 100084; Tongxiang, Liang, E-mail: ljltsinghua@126.com

The nanocrystalline pure nickels with different grain orientations were fabricated by direct current electrodeposition process. The grain size slightly decreased with the increasing of electrodeposition solution temperature. However, grain orientation was affected significantly. Comparing with samples obtained at 50 °C and 80 °C, sample obtained at 20 °C had the strongest (111) orientation plane which increased electrochemical corrosion resistance of this sample. At the same time, the lowest (111) orientation plane deteriorated electrochemical corrosion resistance of sample obtained at 50 °C. - Graphical abstract: The increased electrodeposition temperature promoted slightly grain refinement. The grain orientation was affected significantly by electrodepositionmore » solution temperature. The (111) orientation plane of sample increased significantly corrosion resistance. Display Omitted.« less

Exploring item and higher order factor structure with the Schmid-Leiman solution: syntax codes for SPSS and SAS.

PubMed

Wolff, Hans-Georg; Preising, Katja

2005-02-01

To ease the interpretation of higher order factor analysis, the direct relationships between variables and higher order factors may be calculated by the Schmid-Leiman solution (SLS; Schmid & Leiman, 1957). This simple transformation of higher order factor analysis orthogonalizes first-order and higher order factors and thereby allows the interpretation of the relative impact of factor levels on variables. The Schmid-Leiman solution may also be used to facilitate theorizing and scale development. The rationale for the procedure is presented, supplemented by syntax codes for SPSS and SAS, since the transformation is not part of most statistical programs. Syntax codes may also be downloaded from www.psychonomic.org/archive/.

Accuracy of perturbative master equations.

PubMed

Fleming, C H; Cummings, N I

2011-03-01

We consider open quantum systems with dynamics described by master equations that have perturbative expansions in the system-environment interaction. We show that, contrary to intuition, full-time solutions of order-2n accuracy require an order-(2n+2) master equation. We give two examples of such inaccuracies in the solutions to an order-2n master equation: order-2n inaccuracies in the steady state of the system and order-2n positivity violations. We show how these arise in a specific example for which exact solutions are available. This result has a wide-ranging impact on the validity of coupling (or friction) sensitive results derived from second-order convolutionless, Nakajima-Zwanzig, Redfield, and Born-Markov master equations.

Some classes of gravitational shock waves from higher order theories of gravity

NASA Astrophysics Data System (ADS)

Oikonomou, V. K.

2017-02-01

We study the gravitational shock wave generated by a massless high energy particle in the context of higher order gravities of the form F(R,R_{μν}R^{μν},R_{μναβ}R^{μν αβ}). In the case of F(R) gravity, we investigate the gravitational shock wave solutions corresponding to various cosmologically viable gravities, and as we demonstrate the solutions are rescaled versions of the Einstein-Hilbert gravity solution. Interestingly enough, other higher order gravities result to the general relativistic solution, except for some specific gravities of the form F(R_{μν}R^{μν}) and F(R,R_{μν}R^{μν}), which we study in detail. In addition, when realistic Gauss-Bonnet gravities of the form R+F(G) are considered, the gravitational shock wave solutions are identical to the general relativistic solution. Finally, the singularity structure of the gravitational shock waves solutions is studied, and it is shown that the effect of higher order gravities makes the singularities milder in comparison to the general relativistic solutions, and in some particular cases the singularities seem to be absent.

Molecular structure and interactions in the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide.

PubMed

Dhumal, Nilesh R; Noack, Kristina; Kiefer, Johannes; Kim, Hyung J

2014-04-03

Electronic structure theory (density functional and Møller-Plesset perturbation theory) and vibrational spectroscopy (FT-IR and Raman) are employed to study molecular interactions in the room-temperature ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. Different conformers of a cation-anion pair based on their molecular interactions are simulated in the gas phase and in a dielectric continuum solvent environment. Although the ordering of conformers in energy varies with theoretical methods, their predictions for three lowest energy conformers in the gas phase are similar. Strong C-H---N interactions between the acidic hydrogen atom of the cation imidazole ring and the nitrogen atom of the anion are predicted for either the lowest or second lowest energy conformer. In a continuum solvent, different theoretical methods yield the same ion-pair conformation for the lowest energy state. In both phases, the density functional method predicts that the anion is in a trans conformation in the lowest energy ion pair state. The theoretical results are compared with experimental observations from Raman scattering and IR absorption spectroscopies and manifestations of the molecular interactions in the vibrational spectra are discussed. The directions of the frequency shifts of the characteristic vibrations relative to the free anion and cation are explained by calculating the difference electron density coupled with electron density topography.

Analysis of effect isoxsuprine hydrochloride and nicotine in the Transverse Rectus Abdominis Myocutaneous flap (TRAM) in rats.

PubMed

Costa, Walder; Silva, Alcino Lázaro da; Costa, Gustavo Rocha; Vidigal, Paula Vieira Teixeira; Pereira, Fernando Henrique

2015-07-01

To evaluate the effects of isoxsuprine and nicotine on TRAM. Forty eight 48 Wistar rats distributed into four Groups (n=12). All rats received medication managed daily for 20 days: saline solution (SA), nicotine solution (NI), isoxsuprine solution (IS) and nicotine solution (NI) + isoxsuprine solution (IS). On day 21st the rats were submitted to the caudally based, right unipedicled TRAM flap and after 48 hours, made the macroscopic evaluation of the surface of the flap, photographic documentation and collection of material for histology. Data from macroscopic evaluation were analyzed by ANOVA and microscopic evaluation by Kruskal-Wallis test, with significance level of 5%. In the macroscopic evaluation of isoxsuprine Group retail presented absolute numbers: final area (p=0.001*) and viable area (p=0.006*) with the highest values; necrosis (p=0.001*) had the lowest value. Microscopic examination revealed no significant findings in the study of TRAM under the action of isoxsuprine and nicotine to the percentage of necrosis in the left and right cranial and caudal regions. There was significant improvement in viability of TRAM using the isoxsuprine solution alone. No influence using nicotine alone and in association with isoxsuprine.

Work-to-Family Enrichment and Conflict Profiles: Job Characteristics and Employees' Well-Being.

PubMed

Carvalho, Vânia Sofia; Chambel, Maria José

2016-10-03

This article aims to analyze work-to-family conflict (WFC) and enrichment (WFE) profiles related to job characteristics and well-being at work and general well-being. A cross-sectional survey data of 1885 employees was analyzed. The Latent Profile Analysis revealed that the five-profile solution exhibited strong statistical significance (p > .001). ANCOVAs were performed to analyze the relationship of the identified profiles with job characteristics and well-being. Employees in the Beneficial profile had the best perception of job characteristics (lowest demands and the highest control and support) and the highest well-being, and those in the Harmful profile had the lowest job characteristics perceptions and the lowest well-being. Through a comparison of the Moderate Active profile and the Moderate Harmful profile, WFE was found to buffer the effects of the WFC on well-being at work (burnout; engagement) and on general well-being (i.e., health perceptions). The promotion of WFE through higher job autonomy, job support, and fewer demands is a crucial aspect to consider. This study helps to consolidate the work-family balance typology and its effects on employees' well-being, and broadens this framework to consider job characteristics.

Patterns of nocturnal rehydration in root tissues of Vaccinium corymbosum L. under severe drought conditions

PubMed Central

Valenzuela-Estrada, Luis R.; Richards, James H.; Diaz, Andres; Eissensat, David M.

2009-01-01

Although roots in dry soil layers are commonly rehydrated by internal hydraulic redistribution during the nocturnal period, patterns of tissue rehydration are poorly understood. Rates of nocturnal rehydration were examined in roots of different orders in Vaccinium corymbosum L. ‘Bluecrop’ (Northern highbush blueberry) grown in a split-pot system with one set of roots in relatively moist soil and the other set of roots in dry soil. Vaccinium is noted for a highly branched and extremely fine root system. It is hypothesized that nocturnal root tissue rehydration would be slow, especially in the distal root orders because of their greater hydraulic constraints (smaller vessel diameters and fewer number of vessels). Vaccinium root hydraulic properties delayed internal water movement. Even when water was readily available to roots in the wet soil and transpiration was minimal, it took a whole night-time period of 12 h for the distal finest roots (1st to 4th order) under dry soil conditions to reach the same water potentials as fine roots in moist soil (1st to 4th order). Even though roots under dry soil equilibrated with roots in moist soil, the equilibrium point reached before sunrise was about –1.2 MPa, indicating that tissues were not fully rehydrated. Using a single-branch root model, it was estimated that individual roots exhibiting the lowest water potentials in dry soil were 1st order roots (distal finest roots of the root system). However, considered at the branch level, root orders with the highest hydraulic resistances corresponded to the lowest orders of the permanent root system (3rd-, 4th-, and 5th-order roots), thus indicating possible locations of hydraulic safety control in the root system of this species. PMID:19188275

Patterns of nocturnal rehydration in root tissues of Vaccinium corymbosum L. under severe drought conditions.

PubMed

Valenzuela-Estrada, Luis R; Richards, James H; Diaz, Andres; Eissensat, David M

2009-01-01

Although roots in dry soil layers are commonly rehydrated by internal hydraulic redistribution during the nocturnal period, patterns of tissue rehydration are poorly understood. Rates of nocturnal rehydration were examined in roots of different orders in Vaccinium corymbosum L. 'Bluecrop' (Northern highbush blueberry) grown in a split-pot system with one set of roots in relatively moist soil and the other set of roots in dry soil. Vaccinium is noted for a highly branched and extremely fine root system. It is hypothesized that nocturnal root tissue rehydration would be slow, especially in the distal root orders because of their greater hydraulic constraints (smaller vessel diameters and fewer number of vessels). Vaccinium root hydraulic properties delayed internal water movement. Even when water was readily available to roots in the wet soil and transpiration was minimal, it took a whole night-time period of 12 h for the distal finest roots (1st to 4th order) under dry soil conditions to reach the same water potentials as fine roots in moist soil (1st to 4th order). Even though roots under dry soil equilibrated with roots in moist soil, the equilibrium point reached before sunrise was about -1.2 MPa, indicating that tissues were not fully rehydrated. Using a single-branch root model, it was estimated that individual roots exhibiting the lowest water potentials in dry soil were 1st order roots (distal finest roots of the root system). However, considered at the branch level, root orders with the highest hydraulic resistances corresponded to the lowest orders of the permanent root system (3rd-, 4th-, and 5th-order roots), thus indicating possible locations of hydraulic safety control in the root system of this species.

One-dimensional reduction of viscous jets. I. Theory

NASA Astrophysics Data System (ADS)

Pitrou, Cyril

2018-04-01

We build a general formalism to describe thin viscous jets as one-dimensional objects with an internal structure. We present in full generality the steps needed to describe the viscous jets around their central line, and we argue that the Taylor expansion of all fields around that line is conveniently expressed in terms of symmetric trace-free tensors living in the two dimensions of the fiber sections. We recover the standard results of axisymmetric jets and we report the first and second corrections to the lowest order description, also allowing for a rotational component around the axis of symmetry. When applied to generally curved fibers, the lowest order description corresponds to a viscous string model whose sections are circular. However, when including the first corrections, we find that curved jets generically develop elliptic sections. Several subtle effects imply that the first corrections cannot be described by a rod model since it amounts to selectively discard some corrections. However, in a fast rotating frame, we find that the dominant effects induced by inertial and Coriolis forces should be correctly described by rod models. For completeness, we also recover the constitutive relations for forces and torques in rod models and exhibit a missing term in the lowest order expression of viscous torque. Given that our method is based on tensors, the complexity of all computations has been beaten down by using an appropriate tensor algebra package such as xAct, allowing us to obtain a one-dimensional description of curved viscous jets with all the first order corrections consistently included. Finally, we find a description for straight fibers with elliptic sections as a special case of these results, and recover that ellipticity is dynamically damped by surface tension. An application to toroidal viscous fibers is presented in the companion paper [Pitrou, Phys. Rev. E 97, 043116 (2018), 10.1103/PhysRevE.97.043116].

Breather solutions of a fourth-order nonlinear Schrödinger equation in the degenerate, soliton, and rogue wave limits

NASA Astrophysics Data System (ADS)

Chowdury, Amdad; Krolikowski, Wieslaw; Akhmediev, N.

2017-10-01

We present one- and two-breather solutions of the fourth-order nonlinear Schrödinger equation. With several parameters to play with, the solution may take a variety of forms. We consider most of these cases including the general form and limiting cases when the modulation frequencies are 0 or coincide. The zero-frequency limit produces a combination of breather-soliton structures on a constant background. The case of equal modulation frequencies produces a degenerate solution that requires a special technique for deriving. A zero-frequency limit of this degenerate solution produces a rational second-order rogue wave solution with a stretching factor involved. Taking, in addition, the zero limit of the stretching factor transforms the second-order rogue waves into a soliton. Adding a differential shift in the degenerate solution results in structural changes in the wave profile. Moreover, the zero-frequency limit of the degenerate solution with differential shift results in a rogue wave triplet. The zero limit of the stretching factor in this solution, in turn, transforms the triplet into a singlet plus a low-amplitude soliton on the background. A large value of the differential shift parameter converts the triplet into a pure singlet.

Breather solutions of a fourth-order nonlinear Schrödinger equation in the degenerate, soliton, and rogue wave limits.

PubMed

Chowdury, Amdad; Krolikowski, Wieslaw; Akhmediev, N

2017-10-01

We present one- and two-breather solutions of the fourth-order nonlinear Schrödinger equation. With several parameters to play with, the solution may take a variety of forms. We consider most of these cases including the general form and limiting cases when the modulation frequencies are 0 or coincide. The zero-frequency limit produces a combination of breather-soliton structures on a constant background. The case of equal modulation frequencies produces a degenerate solution that requires a special technique for deriving. A zero-frequency limit of this degenerate solution produces a rational second-order rogue wave solution with a stretching factor involved. Taking, in addition, the zero limit of the stretching factor transforms the second-order rogue waves into a soliton. Adding a differential shift in the degenerate solution results in structural changes in the wave profile. Moreover, the zero-frequency limit of the degenerate solution with differential shift results in a rogue wave triplet. The zero limit of the stretching factor in this solution, in turn, transforms the triplet into a singlet plus a low-amplitude soliton on the background. A large value of the differential shift parameter converts the triplet into a pure singlet.

Uniformly high-order accurate non-oscillatory schemes, 1

NASA Technical Reports Server (NTRS)

Harten, A.; Osher, S.

1985-01-01

The construction and the analysis of nonoscillatory shock capturing methods for the approximation of hyperbolic conservation laws was begun. These schemes share many desirable properties with total variation diminishing schemes (TVD), but TVD schemes have at most first order accuracy, in the sense of truncation error, at extreme of the solution. A uniformly second order approximation was constucted, which is nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time. This is achieved via a nonoscillatory piecewise linear reconstruction of the solution from its cell averages, time evolution through an approximate solution of the resulting initial value problem, and averaging of this approximate solution over each cell.

A new integrable equation combining the modified KdV equation with the negative-order modified KdV equation: multiple soliton solutions and a variety of solitonic solutions

NASA Astrophysics Data System (ADS)

Wazwaz, Abdul-Majid

2018-07-01

A new third-order integrable equation is constructed via combining the recursion operator of the modified KdV equation (MKdV) and its inverse recursion operator. The developed equation will be termed the modified KdV-negative order modified KdV equation (MKdV-nMKdV). The complete integrability of this equation is confirmed by showing that it nicely possesses the Painlevé property. We obtain multiple soliton solutions for the newly developed integrable equation. Moreover, this equation enjoys a variety of solutions which include solitons, peakons, cuspons, negaton, positon, complexiton and other solutions.

Assessment of prequalification procedures : New Mexico DOT construction contractor prequalification practices survey.

DOT National Transportation Integrated Search

2006-02-01

In order to ensure top quality construction projects, contracts need to be awarded to the most qualified : contractor. At the time of this research, NMDOT projects often went to the lowest, not necessarily the : most qualified, bidder. The objective ...

Numerical analysis of the asymptotic two-point boundary value solution for N-body trajectories.

NASA Technical Reports Server (NTRS)

Lancaster, J. E.; Allemann, R. A.

1972-01-01

Previously published asymptotic solutions for lunar and interplanetary trajectories have been modified and combined to formulate a general analytical boundary value solution applicable to a broad class of trajectory problems. In addition, the earlier first-order solutions have been extended to second-order to determine if improved accuracy is possible. Comparisons between the asymptotic solution and numerical integration for several lunar and interplanetary trajectories show that the asymptotic solution is generally quite accurate. Also, since no iterations are required, a solution to the boundary value problem is obtained in a fraction of the time required for numerically integrated solutions.

Electronic structure and vibrational analysis of AHA⋯HX complexes

NASA Astrophysics Data System (ADS)

Joshi, Kaustubh A.; Gejji, Shridhar P.

2005-10-01

Electronic structures of the binary complexes of acetohydroxamic acid (AHA) and hydrogen halides, HX (X = F, Cl, Br) have been investigated using the second order perturbation theory. In the lowest energy structure of AHA⋯HF complex, hydrogen fluoride acts as a proton-donor with carbonyl oxygen and simultaneously as a proton-acceptor with the hydroxyl group. For chloro- and bromo-substituted derivatives, however, the lowest minimum possesses hydrogen-bonded interactions with the carbonyl oxygen in addition to those from the methyl proton of AHA. Frequency shifts of NH and CN stretching vibrations enable one to distinguish different conformers of AHA⋯HX complexes.

Cyclotron resonance in bilayer graphene.

PubMed

Henriksen, E A; Jiang, Z; Tung, L-C; Schwartz, M E; Takita, M; Wang, Y-J; Kim, P; Stormer, H L

2008-02-29

We present the first measurements of cyclotron resonance of electrons and holes in bilayer graphene. In magnetic fields up to B=18 T, we observe four distinct intraband transitions in both the conduction and valence bands. The transition energies are roughly linear in B between the lowest Landau levels, whereas they follow square root[B] for the higher transitions. This highly unusual behavior represents a change from a parabolic to a linear energy dispersion. The density of states derived from our data generally agrees with the existing lowest order tight binding calculation for bilayer graphene. However, in comparing data to theory, a single set of fitting parameters fails to describe the experimental results.

Λ-like chromophores for chiral non-linear optical materials

NASA Astrophysics Data System (ADS)

Ostroverkhov, V.; Petschek, R. G.; Singer, K. D.; Twieg, R. J.

2001-05-01

The first hyperpolarizability of several Λ-like chromophores including Malachite Green and Brilliant Green were measured by means of Kleinman-disallowed hyper-Rayleigh (harmonic light) scattering (KD-HRS). Such chromophores are of interest as components of a new class of chiral and axial macroscopic materials. Light scattering measurements were carried out in both the non-resonant and the anomalous dispersion regime in order to compare experimental results with a two-level model that indicates that B-symmetry excited states will contribute. Large hyperpolarizabilities were observed in all cases and evidence that the lowest-lying excited state has B-symmetry was found in some molecules.

Integration of the Rotation of an Earth-like Body as a Perturbed Spherical Rotor

NASA Astrophysics Data System (ADS)

Ferrer, Sebastián; Lara, Martin

2010-05-01

For rigid bodies close to a sphere, we propose an analytical solution that is free from elliptic integrals and functions, and can be fundamental for application to perturbed problems. After reordering the Hamiltonian as a perturbed spherical rotor, the Lie-series solution is generated up to an arbitrary order. Using the inertia parameters of different solar system bodies, the comparison of the approximate series solution with the exact analytical one shows that the precision reached with relatively low orders is at the same level of the observational accuracy for the Earth and Mars. Thus, for instance, the periodic errors of the mathematical solution are confined to the microarcsecond level with a simple second-order truncation for the Earth. On the contrary, higher orders are required for the mathematical solution to reach a precision at the expected level of accuracy of proposed new theories for the rotational dynamics of the Moon.

The electronic structure of vanadium monochloride cation (VCl+): Tackling the complexities of transition metal species

NASA Astrophysics Data System (ADS)

DeYonker, Nathan J.; Halfen, DeWayne T.; Allen, Wesley D.; Ziurys, Lucy M.

2014-11-01

Six electronic states (X 4Σ-, A 4Π, B 4Δ, 2Φ, 2Δ, 2Σ+) of the vanadium monochloride cation (VCl+) are described using large basis set coupled cluster theory. For the two lowest quartet states (X 4Σ- and A 4Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T0) and spectroscopic constants (re, r0, Be, B0, bar De, He, ωe, v0, αe, ωexe) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X 4Σ-), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state (2Γ) has a Te of ˜11 200 cm-1. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.

Novel third-order Lovelock wormhole solutions

NASA Astrophysics Data System (ADS)

Mehdizadeh, Mohammad Reza; Lobo, Francisco S. N.

2016-06-01

In this work, we consider wormhole geometries in third-order Lovelock gravity and investigate the possibility that these solutions satisfy the energy conditions. In this framework, by applying a specific equation of state, we obtain exact wormhole solutions, and by imposing suitable values for the parameters of the theory, we find that these geometries satisfy the weak energy condition in the vicinity of the throat, due to the presence of higher-order curvature terms. Finally, we trace out a numerical analysis, by assuming a specific redshift function, and find asymptotically flat solutions that satisfy the weak energy condition throughout the spacetime.

Dynamic Analysis and Adaptive Sliding Mode Controller for a Chaotic Fractional Incommensurate Order Financial System

NASA Astrophysics Data System (ADS)

Hajipour, Ahmad; Tavakoli, Hamidreza

2017-12-01

In this study, the dynamic behavior and chaos control of a chaotic fractional incommensurate-order financial system are investigated. Using well-known tools of nonlinear theory, i.e. Lyapunov exponents, phase diagrams and bifurcation diagrams, we observe some interesting phenomena, e.g. antimonotonicity, crisis phenomena and route to chaos through a period doubling sequence. Adopting largest Lyapunov exponent criteria, we find that the system yields chaos at the lowest order of 2.15. Next, in order to globally stabilize the chaotic fractional incommensurate order financial system with uncertain dynamics, an adaptive fractional sliding mode controller is designed. Numerical simulations are used to demonstrate the effectiveness of the proposed control method.

Precise tracking of remote sensing satellites with the Global Positioning System

NASA Technical Reports Server (NTRS)

Yunck, Thomas P.; Wu, Sien-Chong; Wu, Jiun-Tsong; Thornton, Catherine L.

1990-01-01

The Global Positioning System (GPS) can be applied in a number of ways to track remote sensing satellites at altitudes below 3000 km with accuracies of better than 10 cm. All techniques use a precise global network of GPS ground receivers operating in concert with a receiver aboard the user satellite, and all estimate the user orbit, GPS orbits, and selected ground locations simultaneously. The GPS orbit solutions are always dynamic, relying on the laws of motion, while the user orbit solution can range from purely dynamic to purely kinematic (geometric). Two variations show considerable promise. The first one features an optimal synthesis of dynamics and kinematics in the user solution, while the second introduces a novel gravity model adjustment technique to exploit data from repeat ground tracks. These techniques, to be demonstrated on the Topex/Poseidon mission in 1992, will offer subdecimeter tracking accuracy for dynamically unpredictable satellites down to the lowest orbital altitudes.

Stochastic DG Placement for Conservation Voltage Reduction Based on Multiple Replications Procedure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Zhaoyu; Chen, Bokan; Wang, Jianhui

2015-06-01

Conservation voltage reduction (CVR) and distributed-generation (DG) integration are popular strategies implemented by utilities to improve energy efficiency. This paper investigates the interactions between CVR and DG placement to minimize load consumption in distribution networks, while keeping the lowest voltage level within the predefined range. The optimal placement of DG units is formulated as a stochastic optimization problem considering the uncertainty of DG outputs and load consumptions. A sample average approximation algorithm-based technique is developed to solve the formulated problem effectively. A multiple replications procedure is developed to test the stability of the solution and calculate the confidence interval ofmore » the gap between the candidate solution and optimal solution. The proposed method has been applied to the IEEE 37-bus distribution test system with different scenarios. The numerical results indicate that the implementations of CVR and DG, if combined, can achieve significant energy savings.« less

Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - I. A ternary Bragg-Williams ordering model

USGS Publications Warehouse

McSwiggen, P.L.

1993-01-01

The minerals of the ternary carbonate system CaCO3 - MgCO3 - FeCO3 represent a complex series of solid solutions and ordering states. An understanding of those complexities requires a solution model that can both duplicate the subsolidus phase relationships and generate correct values for the activities. Such a solution model must account for the changes in the total energy of the system resulting from a change in the ordering state of the individual constituents. Various ordering models have been applied to binary carbonate systems, but no attempts have previously been made to model the ordering in the ternary system. This study derives a new set of equations that allow for the equilibrium degree of order to be calculated for a system involving three cations mixing on two sites, as in the case of the ternary carbonates. The method is based on the Bragg-Williams approach. From the degree of order, the mole fractions of the three cations in each of the two sites can be determined. Once the site occupancies have been established, a Margules-type mixing model can be used to determine the free energy of mixing in the solid solution and therefore the activities of the various components. ?? 1993 Springer-Verlag.

Modulational instability and dynamics of implicit higher-order rogue wave solutions for the Kundu equation

NASA Astrophysics Data System (ADS)

Wen, Xiao-Yong; Zhang, Guoqiang

2018-01-01

Under investigation in this paper is the Kundu equation, which may be used to describe the propagation process of ultrashort optical pulses in nonlinear optics. The modulational instability of the plane-wave for the possible reason of the formation of the rogue wave (RW) is studied for the system. Based on our proposed generalized perturbation (n,N - n)-fold Darboux transformation (DT), some new higher-order implicit RW solutions in terms of determinants are obtained by means of the generalized perturbation (1,N - 1)-fold DT, when choosing different special parameters, these results will reduce to the RW solutions of the Kaup-Newell (KN) equation, Chen-Lee-Liu (CLL) equation and Gerjikov-Ivanov (GI) equation, respectively. The relevant wave structures are shown graphically, which display abundant interesting wave structures. The dynamical behaviors and propagation stability of the first-order and second-order RW solutions are discussed by using numerical simulations, the higher-order nonlinear terms for the Kundu equation have an impact on the propagation instability of the RW. The method can also be extended to find the higher-order RW or rational solutions of other integrable nonlinear equations.

Relative benefits of potential autonomy technology investments

NASA Technical Reports Server (NTRS)

Lincoln, W. P.; Elfes, A.; Hutsberger, T.; Rodriguez, G.; Weisbin, C. R.

2003-01-01

We developed a framework that looks at both cost and risk early in the design process in order to determine the investment strategy in new technology development that will lead to the lowest risk mission possible which enables desired science return within a given budget.

Surface structures of L10-MnGa (001) by scanning tunneling microscopy and first-principles theory

NASA Astrophysics Data System (ADS)

Corbett, J. P.; Guerrero-Sanchez, J.; Richard, A. L.; Ingram, D. C.; Takeuchi, N.; Smith, A. R.

2017-11-01

We report on the surface reconstructions of L10-ordered MnGa (001) thin films grown by molecular beam epitaxy on a 50 nm Mn3N2 (001) layer freshly grown on a magnesium oxide (001) substrate. Scanning tunneling microscopy, Auger electron spectroscopy, and reflection high energy electron diffraction are combined with first-principles density functional theory calculations to determine the reconstructions of the L10-ordered MnGa (001) surface. We find two lowest energy reconstructions of the MnGa (001) face: a 1 × 1 Ga-terminated structure and a 1 × 2 structure with a Mn replacing a Ga in the 1 × 1 Ga-terminated surface. The 1 × 2 reconstruction forms a row structure along [100]. The manganese:gallium stoichiometry within the surface based on theoretical modeling is in good agreement with experiment. Magnetic moment calculations for the two lowest energy structures reveal important surface and bulk effects leading to oscillatory total magnetization for ultra-thin MnGa (001) films.

Random Matrix Theory and the Anderson Model

NASA Astrophysics Data System (ADS)

Bellissard, Jean

2004-08-01

This paper is devoted to a discussion of possible strategies to prove rigorously the existence of a metal-insulator Anderson transition for the Anderson model in dimension d≥3. The possible criterions used to define such a transition are presented. It is argued that at low disorder the lowest order in perturbation theory is described by a random matrix model. Various simplified versions for which rigorous results have been obtained in the past are discussed. It includes a free probability approach, the Wegner n-orbital model and a class of models proposed by Disertori, Pinson, and Spencer, Comm. Math. Phys. 232:83-124 (2002). At last a recent work by Magnen, Rivasseau, and the author, Markov Process and Related Fields 9:261-278 (2003) is summarized: it gives a toy modeldescribing the lowest order approximation of Anderson model and it is proved that, for d=2, its density of states is given by the semicircle distribution. A short discussion of its extension to d≥3 follows.

Higher-order rogue wave-like solutions for a nonautonomous nonlinear Schrödinger equation with external potentials

NASA Astrophysics Data System (ADS)

Liu, Lei; Tian, Bo; Wu, Xiao-Yu; Sun, Yan

2018-02-01

Under investigation in this paper is the higher-order rogue wave-like solutions for a nonautonomous nonlinear Schrödinger equation with external potentials which can be applied in the nonlinear optics, hydrodynamics, plasma physics and Bose-Einstein condensation. Based on the Kadomtsev-Petviashvili hierarchy reduction, we construct the Nth order rogue wave-like solutions in terms of the Gramian under the integrable constraint. With the help of the analytic and graphic analysis, we exhibit the first-, second- and third-order rogue wave-like solutions through the different dispersion, nonlinearity and linear potential coefficients. We find that only if the dispersion and nonlinearity coefficients are proportional to each other, heights of the background of those rogue waves maintain unchanged with time increasing. Due to the existence of complex parameters, such nonautonomous rogue waves in the higher-order cases have more complex features than those in the lower.

Wideband QAMC reflector's antenna for low profile applications

NASA Astrophysics Data System (ADS)

Grelier, M.; Jousset, M.; Mallégol, S.; Lepage, A. C.; Begaud, X.; LeMener, J. M.

2011-06-01

A wideband reflector's antenna based on quasi-artificial magnetic conductor is proposed. To validate the design, an Archimedean spiral has been backed to this new reflector. In comparison to classical solution using absorbent material, the prototype presents a very low thickness of λ/15 at the lowest operating frequency and an improved gain over a 2.4:1 bandwidth. The whole methodology to design this reflector can be applied to other wideband antennas.

[Effects of nitrogen-supply levels on leaf senescence and characteristics of distribution and utilization of 13C and 15N in Fuji 3 apple grafted on different stocks].

PubMed

Chen, Qian; Ding, Ning; Zhu, Zhan Ling; Peng, Ling; Ge, Shun Feng; Jiang, Yuan Mao

2017-07-18

Two-year-old potted Fuji 3 apple trees on different rootstocks [Fuji 3/M. micromalus Makin (joe), Fuji 3/M7 (semi-dwarf) and Fuji 3/M26/M. micromalus Makin (dwarf)] were used to study leaf morphology and photosynthesis and the characteristics of distribution and utilization of 13 C and 15 N at different nitrogen supply levels (0N, 25%N and 100%N, the N content in 100% N treatment was the same as that in Hoagland complete nutrient solution) under sand culture condition. The main results were as follows: At shoot growth cessation stage in autumn, the leaf chlorophyll content (SPAD), leaf nitrogen content and photosynthetic rate were found the highest in Fuji 3/M. micromalus Makin, followed by Fuji 3/M7, and the lowest was found in Fuji 3/M26/M. micromalus Makin under the same nitrogen stress treatments (0N and 25%N), however, under normal nitrogen treatment (100%N) Fuji 3/M26/M. micromalus Makin had the highest leaf SPAD value, photosynthetic rate and the nitrogen content, followed by Fuji 3/M7, and the lowest was found in Fuji 3/M. micromalus Makin. The leaf SOD and CAT activities showed Fuji 3/M. micromalus Makin > Fuji 3/M7 > Fuji 3/M26/M. micromalus Makin under the same nitrogen stress treatments, but showed Fuji 3/M26/M. micromalus Makin > Fuji 3/M7 > Fuji 3/M. micromalus Makin under the normal nitrogen treatment. There were significant differences in the distributions of 15 N and 13 C in root and leaf in the 3 scion-stock combinations, and the distribution rates of 15 N and 13 C in roots were the highest under nitrogen stress treatments and in the order of Fuji 3/M. micromalus Makin > Fuji 3/M7 > Fuji 3/M26/M. micromalus Makin. The distribution rates of 15 N and 13 C in leaves were the highest under the normal nitrogen treatment and in the order of Fuji 3/M26/M. micromalus Makin > Fuji 3/M7 > Fuji 3/M. micromalus Makin. The 15 N utilization ratio differed significantly among the 3 scion-stock combinations under different nitrogen application levels and was in the order of Fuji 3/M. micromalus Makin (44.3%, 37.5% and 31.4%)> Fuji 3/M7 (38.8%,30.7% and 26.6%) > Fuji 3/M26/M. micromalus Makin (32.0%,27.2% and 22.5%).

MicroCantilever (MC) based nanomechanical sensor for detection of molecular interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kang, Kyung

Specific aims of this study are to investigate the mechanism governing surface stress generation associated with chemical or molecular binding on functionalized microcantilevers. Formation of affinity complexes on cantilever surfaces leads to charge redistribution, configurational change and steric hindrance between neighboring molecules resulting in surface stress change and measureable cantilever deformation. A novel interferometry technique employing two adjacent micromachined cantilevers (a sensing/reference pair) was utilized to measure the cantilever deformation. The sensing principle is that binding/reaction of specific chemical or biological species on the sensing cantilever transduces to mechanical deformation. The differential bending of the sensing cantilever respect to themore » reference cantilever ensures that measured response is insensitive to environmental disturbances. As a proof of principle for the measurement technique, surface stress changes associated with: self-assembly of alkanethiol, hybridization of ssDNA, and the formation of cocaine-aptamer complexes were measured. Dissociation constant (K d) for each molecular reaction was utilized to estimate the surface coverage of affinity complexes. In the cases of DNA hybridization and cocaine-aptamer binding, measured surface stress was found to be dependent on the surface coverage of the affinity complexes. In order to achieve a better sensitivity for DNA hybridization, immobilization of receptor molecules was modified to enhance the deformation of underlying surface. Single-stranded DNA (ssDNA) strands with thiol-modification on both 3-foot and 5-foot ends were immobilized on the gold surface such that both ends are attached to the gold surface. Immobilization condition was controlled to obtain similar receptor density as single-thiolated DNA strands. Hybridization of double-thiolated DNA strands leads to an almost two orders of magnitude increase in cantilever deformation. In both DNA hybridization and the conventional mode for cocaine detection, the lowest detectable concentration was determined by binding activity between the ligand and receptor molecules. In order to overcome this limitation for cocaine detection, a novel competition sensing mode that relies on rate of aptamers unbinding from the cantilever due to either diffusion or reaction with cocaine as target ligands in solution was investigated. The rate of unbinding is found to be dependent on the concentration of cocaine molecules. A model based on diffusion-reaction equation was developed to explain the experimental observation. Experimental results indicate that the competition mode reduces the lowest detectable threshold to 200 nM which is comparable to that achieved analytical techniques such as mass spectrometry.« less

Wave Response during Hydrostatic and Geostrophic Adjustment. Part I: Transient Dynamics.

NASA Astrophysics Data System (ADS)

Chagnon, Jeffrey M.; Bannon, Peter R.

2005-05-01

The adjustment of a compressible, stably stratified atmosphere to sources of hydrostatic and geostrophic imbalance is investigated using a linear model. Imbalance is produced by prescribed, time-dependent injections of mass, heat, or momentum that model those processes considered “external” to the scales of motion on which the linearization and other model assumptions are justifiable. Solutions are demonstrated in response to a localized warming characteristic of small isolated clouds, larger thunderstorms, and convective systems.For a semi-infinite atmosphere, solutions consist of a set of vertical modes of continuously varying wavenumber, each of which contains time dependencies classified as steady, acoustic wave, and buoyancy wave contributions. Additionally, a rigid lower-boundary condition implies the existence of a discrete mode—the Lamb mode— containing only a steady and acoustic wave contribution. The forced solutions are generalized in terms of a temporal Green's function, which represents the response to an instantaneous injection.The response to an instantaneous warming with geometry representative of a small, isolated cloud takes place in two stages. Within the first few minutes, acoustic and Lamb waves accomplish an expansion of the heated region. Within the first quarter-hour, nonhydrostatic buoyancy waves accomplish an upward displacement inside of the heated region with inflow below, outflow above, and weak subsidence on the periphery—all mainly accomplished by the lowest vertical wavenumber modes, which have the largest horizontal group speed. More complicated transient patterns of inflow aloft and outflow along the lower boundary are accomplished by higher vertical wavenumber modes. Among these is an outwardly propagating rotor along the lower boundary that effectively displaces the low-level inflow upward and outward.A warming of 20 min duration with geometry representative of a large thunderstorm generates only a weak acoustic response in the horizontal by the Lamb waves. The amplitude of this signal increases during the onset of the heating and decreases as the heating is turned off. The lowest vertical wavenumber buoyancy waves still dominate the horizontal adjustment, and the horizontal scale of displacements is increased by an order of magnitude. Within a few hours the transient motions remove the perturbations and an approximately trivial balanced state is established.A warming of 2 h duration with geometry representative of a large convective system generates a weak but discernible Lamb wave signal. The response to the conglomerate system is mainly hydrostatic. After several hours, the only signal in the vicinity of the heated region is that of inertia-gravity waves oscillating about a nontrivial hydrostatic and geostrophic state.This paper is the first of two parts treating the transient dynamics of hydrostatic and geostrophic adjustment. Part II examines the potential vorticity conservation and the partitioning of total energy.

Abundant closed form solutions of the conformable time fractional Sawada-Kotera-Ito equation using (G‧ / G) -expansion method

NASA Astrophysics Data System (ADS)

Al-Shawba, Altaf Abdulkarem; Gepreel, K. A.; Abdullah, F. A.; Azmi, A.

2018-06-01

In current study, we use the (G‧ / G) -expansion method to construct the closed form solutions of the seventh order time fractional Sawada-Kotera-Ito (TFSKI) equation based on conformable fractional derivative. As a result, trigonometric, hyperbolic and rational functions solutions with arbitrary constants are obtained. When the arbitrary constants are taken some special values, the periodic and soliton solutions are obtained from the travelling wave solutions. The obtained solutions are new and not found elsewhere. The effect of the fractional order on some of these solutions are represented graphically to illustrate the behavior of the exact solutions when the parameter take some special choose.

Intestinal absorption of calcium from calcium ascorbate in rats.

PubMed

Tsugawa, N; Yamabe, T; Takeuchi, A; Kamao, M; Nakagawa, K; Nishijima, K; Okano, T

1999-01-01

The intestinal absorption of calcium (Ca) from Ca ascorbate (Ca-AsA) was investigated in normal rats. Each animal was perorally administered either 5mg (low dose) or 10mg (high dose) of Ca in 1ml of distilled water as Ca-AsA, Ca carbonate (CaCO3), or Ca chloride (CaCl2), which were intrinsically labeled with 45Ca using 45CaCl2. The amount of radioactivity in plasma was measured periodically up to 34h after dosing, and pharmacokinetic parameters were calculated from the radioactivity in plasma. The time taken to reach the maximum 45Ca level (Tmax) did not differ among the three groups. The area under the plasma 45Ca level/time curve (AUCinfinity) value for the Ca-AsA group was significantly higher than those for the CaCO3 and the CaCl2 groups. The radioactivity at Tmax (Cmax) for the Ca-AsA group was significantly higher than those for the CaCO3 and the CaCl2 groups for the low dose, and comparable with or significantly higher than those for the CaCl2 and CaCO3 groups for the high dose. Similar results were observed for whole-body 45Ca retention. Radioactivity in the femur 34h after dosing was the highest in the Ca-AsA group and the lowest in the CaCO3 group. The rank order of solubility in water, the first fluid (pH 1.2, JP-1) of JPXIII disintegration medium, acetate buffer solution (pH 4.0), triethanolamine-malate buffer solution (pH 7.0) and ammonium chloride buffer solution (pH 10.0) at 37 degrees C was CaCl2 > Ca-AsA > CaCO3. In contrast, the rank order of the solubility in the second fluid (pH 6.8, JP-2) of JPXIII disintegration medium at 37 degrees C was Ca-AsA > CaCl2 > CaCO3. These results indicate that the absorbability of Ca from Ca-AsA is almost comparable with, or higher than, that from CaCl2 and significantly higher than that from CaCO3 because of its high degree of solubility in the intestine. Therefore, Ca-AsA would be useful as a Ca supplement with relatively high absorption from intestine.

Quantitative Correlation between Viscosity of Concentrated MAb Solutions and Particle Size Parameters Obtained from Small-Angle X-ray Scattering.

PubMed

Fukuda, Masakazu; Moriyama, Chifumi; Yamazaki, Tadao; Imaeda, Yoshimi; Koga, Akiko

2015-12-01

To investigate the relationship between viscosity of concentrated MAb solutions and particle size parameters obtained from small-angle X-ray scattering (SAXS). The viscosity of three MAb solutions (MAb1, MAb2, and MAb3; 40-200 mg/mL) was measured by electromagnetically spinning viscometer. The protein interactions of MAb solutions (at 60 mg/mL) was evaluated by SAXS. The phase behavior of 60 mg/mL MAb solutions in a low-salt buffer was observed after 1 week storage at 25°C. The MAb1 solutions exhibited the highest viscosity among the three MAbs in the buffer containing 50 mM NaCl. Viscosity of MAb1 solutions decreased with increasing temperature, increasing salt concentration, and addition of amino acids. Viscosity of MAb1 solutions was lowest in the buffer containing histidine, arginine, and aspartic acid. Particle size parameters obtained from SAXS measurements correlated very well with the viscosity of MAb solutions at 200 mg/mL. MAb1 exhibited liquid-liquid phase separation at a low salt concentration. Simultaneous addition of basic and acidic amino acids effectively suppressed intermolecular attractive interactions and decreased viscosity of MAb1 solutions. SAXS can be performed using a small volume of samples; therefore, the particle size parameters obtained from SAXS at intermediate protein concentration could be used to screen for low viscosity antibodies in the early development stage.

First and second order approximations to stage numbers in multicomponent enrichment cascades

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scopatz, A.

2013-07-01

This paper describes closed form, Taylor series approximations to the number product stages in a multicomponent enrichment cascade. Such closed form approximations are required when a symbolic, rather than a numeric, algorithm is used to compute the optimal cascade state. Both first and second order approximations were implemented. The first order solution was found to be grossly incorrect, having the wrong functional form over the entire domain. On the other hand, the second order solution shows excellent agreement with the 'true' solution over the domain of interest. An implementation of the symbolic, second order solver is available in the freemore » and open source PyNE library. (authors)« less

Degradation of the insecticide propoxur by electrochemical advanced oxidation processes using a boron-doped diamond/air-diffusion cell.

PubMed

Guelfi, Diego Roberto Vieira; Gozzi, Fábio; Sirés, Ignasi; Brillas, Enric; Machulek, Amílcar; de Oliveira, Silvio César

2017-03-01

A solution with 0.38 mM of the pesticide propoxur (PX) at pH 3.0 has been comparatively treated by electrochemical oxidation with electrogenerated H 2 O 2 (EO-H 2 O 2 ), electro-Fenton (EF), and photoelectro-Fenton (PEF). The trials were carried out with a 100-mL boron-doped diamond (BDD)/air-diffusion cell. The EO-H 2 O 2 process had the lowest oxidation ability due to the slow reaction of intermediates with • OH produced from water discharge at the BDD anode. The EF treatment yielded quicker mineralization due to the additional • OH formed between added Fe 2+ and electrogenerated H 2 O 2 . The PEF process was the most powerful since it led to total mineralization by the combined oxidative action of hydroxyl radicals and UVA irradiation. The PX decay agreed with a pseudo-first-order kinetics in EO-H 2 O 2 , whereas in EF and PEF, it obeyed a much faster pseudo-first-order kinetics followed by a much slower one, which are related to the oxidation of its Fe(II) and Fe(III) complexes, respectively. EO-H 2 O 2 showed similar oxidation ability within the pH range 3.0-9.0. The effect of current density and Fe 2+ and substrate contents on the performance of the EF process was examined. Two primary aromatic products were identified by LC-MS during PX degradation.

On solvability of boundary value problems for hyperbolic fourth-order equations with nonlocal boundary conditions of integral type

NASA Astrophysics Data System (ADS)

Popov, Nikolay S.

2017-11-01

Solvability of some initial-boundary value problems for linear hyperbolic equations of the fourth order is studied. A condition on the lateral boundary in these problems relates the values of a solution or the conormal derivative of a solution to the values of some integral operator applied to a solution. Nonlocal boundary-value problems for one-dimensional hyperbolic second-order equations with integral conditions on the lateral boundary were considered in the articles by A.I. Kozhanov. Higher-dimensional hyperbolic equations of higher order with integral conditions on the lateral boundary were not studied earlier. The existence and uniqueness theorems of regular solutions are proven. The method of regularization and the method of continuation in a parameter are employed to establish solvability.

Neoclassical transport including collisional nonlinearity.

PubMed

Candy, J; Belli, E A

2011-06-10

In the standard δf theory of neoclassical transport, the zeroth-order (Maxwellian) solution is obtained analytically via the solution of a nonlinear equation. The first-order correction δf is subsequently computed as the solution of a linear, inhomogeneous equation that includes the linearized Fokker-Planck collision operator. This equation admits analytic solutions only in extreme asymptotic limits (banana, plateau, Pfirsch-Schlüter), and so must be solved numerically for realistic plasma parameters. Recently, numerical codes have appeared which attempt to compute the total distribution f more accurately than in the standard ordering by retaining some nonlinear terms related to finite-orbit width, while simultaneously reusing some form of the linearized collision operator. In this work we show that higher-order corrections to the distribution function may be unphysical if collisional nonlinearities are ignored.

Declining Physics Enrollments: An Exploration of Reasons

ERIC Educational Resources Information Center

Nelson, Miles A.; Dietrich, Donald G.

1975-01-01

Describes a detailed study used in schools with the highest and lowest percentages of students enrolled in physics in order to determine factors related to enrollment. Twenty-eight indexes were used. Reports percent of variance accounted for and significance level for each variable and offers conclusions. (CP)

Properties of AT Quartz Resonators on Wedgy Plates,

DTIC Science & Technology

assuming a small linear thickness variation ( wedginess ) across the plate. The model predicts that the standing waves corresponding to the different an... wedginess that will lower order an harmonics. The observed consequence of this behavior is that the motional capacitance of the lowest mode (the desired

A Solution to the Fundamental Linear Fractional Order Differential Equation

NASA Technical Reports Server (NTRS)

Hartley, Tom T.; Lorenzo, Carl F.

1998-01-01

This paper provides a solution to the fundamental linear fractional order differential equation, namely, (sub c)d(sup q, sub t) + ax(t) = bu(t). The impulse response solution is shown to be a series, named the F-function, which generalizes the normal exponential function. The F-function provides the basis for a qth order "fractional pole". Complex plane behavior is elucidated and a simple example, the inductor terminated semi- infinite lossy line, is used to demonstrate the theory.

Density functional theory molecular modeling and antimicrobial behaviour of selected 1,2,3,4,5,6,7,8-octahydroacridine-N(10)-oxides

NASA Astrophysics Data System (ADS)

Marinescu, Maria; Cinteza, Ludmila Otilia; Marton, George Iuliu; Marutescu, Luminita Gabriela; Chifiriuc, Mariana-Carmen; Constantinescu, Catalin

2017-09-01

A series of 9-substituted 1,2,3,4,5,6,7,8-octahydroacridine-N(10)-oxides is evaluated against 12 bacterial and fungal strains, for their microbicidal and anti-pathogenic features. The largest spectrum of the antibacterial activity is evidenced for the nitro- (2b) and hydroxy- (5b) N-oxides, followed by the amino-N-oxide (3b). Density functional theory (DFT) modeling of the molecular structure and frontier molecular orbitals, i.e. highest occupied/lowest unoccupied molecular orbital (HOMO/LUMO), is accomplished by using the GAMESS 2012 software at M11/ktzvp level of theory in order to find their structural and electronic parameters. We show that the planarity of the molecules and the presence of the electron withdrawing group are advantages for its antimicrobial activity. Finally, we briefly present and discuss results on the processing of such compounds into thin films and hybrid structures by laser-assisted techniques, i.e. matrix-assisted pulsed laser evaporation (MAPLE) or laser-induced forward transfer (LIFT), to provide simple and environmental friendly, state-of-the-art solutions for antimicrobial/medical coatings and devices.

Facile fabrication of uniform hierarchical structured (UHS) nanocomposite surface with high water repellency and self-cleaning properties

NASA Astrophysics Data System (ADS)

Bagheri, H.; Aliofkhazraei, M.; Forooshani, H. Mojiri; Rouhaghdam, A. Sabour

2018-04-01

In the present study, two-stage process for the fabrication of superhydrophobic Ni-Cu-TiO2 nanocomposite coatings on the copper substrate has been introduced. Surface modification was performed on the electrodeposited coatings by myristic acid-ethanol solution to achieve superhydrophobicity. Additionally, in order to further study the roughness effect, instead of addition of copper ions in electrodeposition bath, three substrates were roughened by electrochemical etching method. Water repellency properties were studied through measurement of static and dynamic contact angles, and performing bouncing test, self-cleaning and water-jet evaluation. The samples were electrodeposited in various current densities, and the highest corrosion resistance and water repellency properties were obtained for the sample which was electrodeposited in two consecutive steps and modified by a fatty acid called myristic acid (which significantly reduces surface energy of the coating). The highest water contact angle (161°) and the lowest contact angle hysteresis (3°) were obtained for the sample which was coated by 10 mA/cm2 (144 min) and 20 mA/cm2 (18 min), respectively. Since this approach does not require any sophisticated equipment and materials, it shows promising future in the fabrication of superhydrophobic coatings.

Chemical and physical passivation of type II strained-layer superlattice devices by means of thiolated self-assembled monolayers and polymer encapsulates

NASA Astrophysics Data System (ADS)

Henry, Nathan C.; Knorr, Daniel B.; Williams, Kristen S.; Baril, Neil; Nallon, Eric; Lenhart, Joseph L.; Andzelm, Jan W.; Pellegrino, Joseph; Tidrow, Meimei; Cleveland, Erin; Bandara, Sumith

2015-05-01

The efficacy of solution deposition of thiolated self-assembled monolayers (SAMs) has been explored for the purpose of passivating III-V type II superlattice (T2SL) photodetectors, more specifically a p-type heterojunction device. Sulfur passivation has previously been achieved on T2SL devices. However, degradation over time, temperature sensitivity and inconsistent reproducibility necessitate a physical encapsulate that can chemically bond to the chemical passivant. Thus, this research investigates two passivation methods, surface passivation with a thiol monolayer and passivation with a polymer encapsulant with a view toward future combination of these techniques. Analysis of the physical and chemical condition of the surface prior to deposition assisted in the development of ideal processes for optimized film quality. Successful deposition was facilitated by in situ oxide removal. Various commercially available functional (cysteamine) and non-functional (alkane) thiolated monolayers were investigated. Dark current was reduced by 3 orders of magnitude and achieved negligible surface leakage at low bias levels. The lowest dark current result, 7.69 × 10-6 A/cm2 at 50 mV, was achieved through passivation with cysteamine.

Asymmetric shape transitions of epitaxial quantum dots

PubMed Central

2016-01-01

We construct a two-dimensional continuum model to describe the energetics of shape transitions in fully faceted epitaxial quantum dots (strained islands) via minimization of elastic energy and surface energy at fixed volume. The elastic energy of the island is based on a third-order approximation, enabling us to consider shape transitions between pyramids, domes, multifaceted domes and asymmetric intermediate states. The energetics of the shape transitions are determined by numerically calculating the facet lengths that minimize the energy of a given island type of prescribed island volume. By comparing the energy of different island types with the same volume and analysing the energy surface as a function of the island shape parameters, we determine the bifurcation diagram of equilibrium solutions and their stability, as well as the lowest barrier transition pathway for the island shape as a function of increasing volume. The main result is that the shape transition from pyramid to dome to multifaceted dome occurs through sequential nucleation of facets and involves asymmetric metastable transition shapes. We also explicitly determine the effect of corner energy (facet edge energy) on shape transitions and interpret the results in terms of the relative stability of asymmetric island shapes as observed in experiment. PMID:27436989

Methane production in an anaerobic osmotic membrane bioreactor using forward osmosis: Effect of reverse salt flux.

PubMed

Li, Sheng; Kim, Youngjin; Phuntsho, Sherub; Chekli, Laura; Shon, Ho Kyong; Leiknes, TorOve; Ghaffour, Noreddine

2017-09-01

This study investigated the impact of reverse salt flux (RSF) on microbe community and bio-methane production in a simulated fertilizer driven FO-AnMBR system using KCl, KNO 3 and KH 2 PO 4 as draw solutes. Results showed that KH 2 PO 4 exhibited the lowest RSF in terms of molar concentration 19.1mM/(m 2 .h), while for KCl and KNO 3 it was 32.2 and 120.8mM/(m 2 .h), respectively. Interestingly, bio-methane production displayed an opposite order with KH 2 PO 4 , followed by KCl and KNO 3 . Pyrosequencing results revealed the presence of different bacterial communities among the tested fertilizers. Bacterial community of sludge exposed to KH 2 PO 4 was very similar to that of DI-water and KCl. However, results with KNO 3 were different since the denitrifying bacteria were found to have a higher percentage than the sludge with other fertilizers. This study demonstrated that RSF has a negative effect on bio-methane production, probably by influencing the sludge bacterial community via environment modification. Copyright © 2017 Elsevier Ltd. All rights reserved.

The Mott transition in the strong coupling perturbation theory

NASA Astrophysics Data System (ADS)

Sherman, A.

2015-01-01

Using the strong coupling diagram technique a self-consistent equation for the electron Green's function is derived for the repulsive Hubbard model. Terms of two lowest orders of the ratio of the bandwidth Δ to the Hubbard repulsion U are taken into account in the irreducible part of the Larkin equation. The obtained equation is shown to retain causality and reduces to Green's function of uncorrelated electrons in the limit U → 0. Calculations were performed for the semi-elliptical initial band. It is shown that the approximation describes the Mott transition, which occurs at Uc =√{ 3 } Δ / 2. This value coincides with that obtained in the Hubbard-III approximation. At half-filling, for 0 < U Uc the Mott gap disappears.

A Preliminary Study on Designing and Testing of an Absorption Refrigeration Cycle Powered by Exhaust Gas of Combustion Engine

NASA Astrophysics Data System (ADS)

Napitupulu, F. H.; Daulay, F. A.; Dedy, P. M.; Denis; Jecson

2017-03-01

In order to recover the waste heat from the exhaust gas of a combustion engine, an adsorption refrigeration cycle is proposed. This is a preliminary study on design and testing of a prototype of absorption refrigeration cycle powered by an internal combustion engine. The heat source of the cycle is a compression ignition engine which generates 122.36 W of heat in generator of the cycle. The pairs of absorbent and refrigerant are water and ammonia. Here the generator is made of a shell and tube heat exchanger with number of tube and its length are 20 and 0.69 m, respectively. In the experiments the exhaust gas, with a mass flow rate of 0.00016 kg/s, enters the generator at 110°C and leaves it at 72°C. Here, the solution is heated from 30°C to 90°C. In the evaporator, the lowest temperature can be reached is 17.9°C and COP of the system is 0.45. The main conclusion can be drawn here is that the proposed system can be used to recycle the waste heat and produced cooling. However, the COP is still low.

Thermo-fluid-dynamics of turbulent boundary layer over a moving continuous flat sheet in a parallel free stream

NASA Astrophysics Data System (ADS)

Afzal, Bushra; Noor Afzal Team; Bushra Afzal Team

2014-11-01

The momentum and thermal turbulent boundary layers over a continuous moving sheet subjected to a free stream have been analyzed in two layers (inner wall and outer wake) theory at large Reynolds number. The present work is based on open Reynolds equations of momentum and heat transfer without any closure model say, like eddy viscosity or mixing length etc. The matching of inner and outer layers has been carried out by Izakson-Millikan-Kolmogorov hypothesis. The matching for velocity and temperature profiles yields the logarithmic laws and power laws in overlap region of inner and outer layers, along with friction factor and heat transfer laws. The uniformly valid solution for velocity, Reynolds shear stress, temperature and thermal Reynolds heat flux have been proposed by introducing the outer wake functions due to momentum and thermal boundary layers. The comparison with experimental data for velocity profile, temperature profile, skin friction and heat transfer are presented. In outer non-linear layers, the lowest order momentum and thermal boundary layer equations have also been analyses by using eddy viscosity closure model, and results are compared with experimental data. Retired Professor, Embassy Hotel, Rasal Ganj, Aligarh 202001 India.

Determination of the Mutant Prevention Concentration and the Mutant Selection Window of Topical Antimicrobial Agents against Propionibacterium acnes.

PubMed

Nakase, Keisuke; Nakaminami, Hidemasa; Toda, Yuta; Noguchi, Norihisa

2017-01-01

Determination of the mutant prevention concentration (MPC) and the mutant selection window (MSW) of antimicrobial agents used to treat pathogenic bacteria is important in order to apply effective antimicrobial therapies. Here, we determined the MPCs of the major topical antimicrobial agents against Propionibacterium acnes and Staphylococcus aureus which cause skin infections and compared their MSWs. Among the MPCs of nadifloxacin and clindamycin, the clindamycin MPC was determined to be the lowest against P. acnes. In contrast, the nadifloxacin MPC was the lowest against S. aureus. Calculations based on the minimum inhibitory concentrations and MPCs showed that clindamycin has the lowest MSW against both P. acnes and S. aureus. Nadifloxacin MSWs were 4-fold higher against P. acnes than against S. aureus. It is more likely for P. acnes to acquire resistance to fluoroquinolones than S. aureus. Therefore, topical application of clindamycin contributes very little to the emergence of resistant P. acnes and S. aureus strains. © 2016 S. Karger AG, Basel.

Rationality, irrationality and escalating behavior in lowest unique bid auctions.

PubMed

Radicchi, Filippo; Baronchelli, Andrea; Amaral, Luís A N

2012-01-01

Information technology has revolutionized the traditional structure of markets. The removal of geographical and time constraints has fostered the growth of online auction markets, which now include millions of economic agents worldwide and annual transaction volumes in the billions of dollars. Here, we analyze bid histories of a little studied type of online auctions--lowest unique bid auctions. Similarly to what has been reported for foraging animals searching for scarce food, we find that agents adopt Lévy flight search strategies in their exploration of "bid space". The Lévy regime, which is characterized by a power-law decaying probability distribution of step lengths, holds over nearly three orders of magnitude. We develop a quantitative model for lowest unique bid online auctions that reveals that agents use nearly optimal bidding strategies. However, agents participating in these auctions do not optimize their financial gain. Indeed, as long as there are many auction participants, a rational profit optimizing agent would choose not to participate in these auction markets.

Rationality, Irrationality and Escalating Behavior in Lowest Unique Bid Auctions

PubMed Central

Radicchi, Filippo; Baronchelli, Andrea; Amaral, Luís A. N.

2012-01-01

Information technology has revolutionized the traditional structure of markets. The removal of geographical and time constraints has fostered the growth of online auction markets, which now include millions of economic agents worldwide and annual transaction volumes in the billions of dollars. Here, we analyze bid histories of a little studied type of online auctions – lowest unique bid auctions. Similarly to what has been reported for foraging animals searching for scarce food, we find that agents adopt Lévy flight search strategies in their exploration of “bid space”. The Lévy regime, which is characterized by a power-law decaying probability distribution of step lengths, holds over nearly three orders of magnitude. We develop a quantitative model for lowest unique bid online auctions that reveals that agents use nearly optimal bidding strategies. However, agents participating in these auctions do not optimize their financial gain. Indeed, as long as there are many auction participants, a rational profit optimizing agent would choose not to participate in these auction markets. PMID:22279553

Eikonal solutions to optical model coupled-channel equations

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Khandelwal, Govind S.; Maung, Khin M.; Townsend, Lawrence W.; Wilson, John W.

1988-01-01

Methods of solution are presented for the Eikonal form of the nucleus-nucleus coupled-channel scattering amplitudes. Analytic solutions are obtained for the second-order optical potential for elastic scattering. A numerical comparison is made between the first and second order optical model solutions for elastic and inelastic scattering of H-1 and He-4 on C-12. The effects of bound-state excitations on total and reaction cross sections are also estimated.

Numerical Solutions of the Nonlinear Fractional-Order Brusselator System by Bernstein Polynomials

PubMed Central

Khan, Rahmat Ali; Tajadodi, Haleh; Johnston, Sarah Jane

2014-01-01

In this paper we propose the Bernstein polynomials to achieve the numerical solutions of nonlinear fractional-order chaotic system known by fractional-order Brusselator system. We use operational matrices of fractional integration and multiplication of Bernstein polynomials, which turns the nonlinear fractional-order Brusselator system to a system of algebraic equations. Two illustrative examples are given in order to demonstrate the accuracy and simplicity of the proposed techniques. PMID:25485293

Development of Water-Triggered Chitosan Film Containing Glucamylase for Sustained Release of Resveratrol.

PubMed

Zhang, Dongliang; Cao, Yanfei; Ma, Chengye; Chen, Shanfeng; Li, Hongjun

2017-03-29

There is a paradox when incorporating enzyme into an edible chitosan film that chitosan is dissolved in acid solution and enzyme activity is maintained under mild conditions. A method for maintaining the pH of the chitosan solution at 4-6 to prepare a chitosan film containing β-cyclodextrin, resveratrol-β-cyclodextrin inclusion (RCI), was developed, using glucamylase and acetic acid. A considerable amount of resveratrol was released by the glucamylase-incorporated film within 15 days, and the maximum amount released was 46% of the total resveratrol content. The highest resveratrol release ratio (released resveratrol/total resveratrol) was obtained in the film with 6 mL of RCI. Scratches and spores were generated on the surface of the glucamylase-added film immersed in water (GAFW) for 7 days because of β-cyclodextrin hydrolysis during film drying and water immersion. RCI and β-cyclodextrin were extruded from the film surface and formed teardrops, which were erased by water on the GAFW surface but appeared on the glucamylase-added film without water immersion (GAF). The bubbles generated by the reaction of acetic acid and residual sodium bicarbonate were observed in both glucamylase-free films immersed in water (GFFW) for 7 days and without water immersion (GFF). The FT-IR spectra illustrated that the covalent bond was not generated during water immersion and β-cyclodextrin hydrolysis. The crystal structure of chitosan was destroyed by water immersion and β-cyclodextrin hydrolysis, resulting in the lowest chitosan crystallization peak at 22°. The increasing of water holding capacity determined by EDX presented the following order: GAF, GFFW, GFF, and GAFW.

On The Molecular Mechanism Of Positive Novolac Resists

NASA Astrophysics Data System (ADS)

Huang, Jian-Ping; Kwei, T. K.; Reiser, Arnost

1989-08-01

A molecular mechanism for the dissolution of novolac is proposed, based on the idea of a critical degree of deprotonation as being the condition for the transfer of polymer into solution. The rate at which the critical deprotonation condition is achieved is controlled by the supply of developer into a thin penetration zone, and depends in particular on the rate of diffusion of the base cations which are the developer component with the lowest mobility. The penetration zone contains phenolate ions and ion-bound water, but it retains the structure of a rigid polymer membrane, as evidenced by the diffusion coefficient of cations in the pene;tration zone which is several orders of magnitude slower than in an open gel of the same material. When the critical degree of deprotonation is reached, the membrane structure unravels and all subsequent events, chain rearrangement and transfer into solution, occur rapidly. The supralinear dependence of dissolution rate on base concentration and the effect of the size of the base cation are plausibly interpreted by the model. The diffusion of developer components is assumed to occur preferentially via hydrophilic sites in the polymer matrix. These sites define a diffusion path which acts like a hydrophilic diffusion channel. Suitably designed hydrophobic molecules can block some of the channels and in this way alter the dissolution rate. They reduce in effect the diffusion crossect ion of the material. Hydrophilic additives, on the other hand, introduce additional channels into the system and promote dissolution. The concept of diffusion channels appears to provide a unified interpretation for a number of common observations.

Effect of Gold on the Corrosion Behavior of an Electroless Nickel/Immersion Gold Surface Finish

NASA Astrophysics Data System (ADS)

Bui, Q. V.; Nam, N. D.; Yoon, J. W.; Choi, D. H.; Kar, A.; Kim, J. G.; Jung, S. B.

2011-09-01

The performance of surface finishes as a function of the pH of the utilized plating solution was evaluated by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization tests in 3.5 wt.% NaCl solution. In addition, the surface finishes were examined by x-ray diffraction (XRD), and the contact angle of the liquid/solid interface was recorded. NiP films on copper substrates with gold coatings exhibited their highest coating performance at pH 5. This was attributed to the films having the highest protective efficiency and charge transfer resistance, lowest porosity value, and highest contact angle among those examined as a result of the strongly preferred Au(111) orientation and the improved surface wettability.

Corrosion Performance of Nano-ZrO₂ Modified Coatings in Hot Mixed Acid Solutions.

PubMed

Xu, Wenhua; Wang, Zhenyu; Han, En-Hou; Wang, Shuai; Liu, Qian

2018-06-01

A nano-ZrO₂ modified coating system was prepared by incorporation of nano-ZrO₂ concentrates into phenolic-epoxy resin. The corrosion performance of the coatings was evaluated in hot mixed acid solution, using electrochemical methods combined with surface characterization, and the effects of nano-ZrO₂ content were specially focused on. The results showed that 1% and 3% nano-ZrO₂ addition enhanced the corrosion resistance of the coatings, while 5% nano-ZrO₂ addition declined it. The coating with 3% nano-ZrO₂ presented the minimum amount of species diffusion, the lowest average roughness (5.94 nm), and the highest C/O ratio (4.55) and coating resistance, and it demonstrated the best corrosion performance among the coating specimens.

Low-Voltage Solution-Processed Hybrid Light-Emitting Transistors.

PubMed

Chaudhry, Mujeeb Ullah; Tetzner, Kornelius; Lin, Yen-Hung; Nam, Sungho; Pearson, Christopher; Groves, Chris; Petty, Michael C; Anthopoulos, Thomas D; Bradley, Donal D C

2018-06-06

We report the development of low operating voltages in inorganic-organic hybrid light-emitting transistors (HLETs) based on a solution-processed ZrO x gate dielectric and a hybrid multilayer channel consisting of the heterojunction In 2 O 3 /ZnO and the organic polymer "Super Yellow" acting as n- and p-channel/emissive layers, respectively. Resulting HLETs operate at the lowest voltages reported to-date (<10 V) and combine high electron mobility (22 cm 2 /(V s)) with appreciable current on/off ratios (≈10 3 ) and an external quantum efficiency of 2 × 10 -2 % at 700 cd/m 2 . The charge injection, transport, and recombination mechanisms within this HLET architecture are discussed, and prospects for further performance enhancement are considered.

Arsenic incorporation into FeS 2 pyrite and its influence on dissolution: A DFT study

NASA Astrophysics Data System (ADS)

Blanchard, Marc; Alfredsson, Maria; Brodholt, John; Wright, Kate; Catlow, C. Richard A.

2007-02-01

FeS 2 pyrite can incorporate large amounts of arsenic (up to ca. 10 wt%) and hence has a strong impact on the mobility of this toxic metalloid. Focussing on the lowest arsenic concentrations for which the incorporation occurs in solid solution, the substitution mechanisms involved have been investigated by assuming simple incorporation reactions in both oxidising and reducing conditions. The solution energies were calculated by Density Functional Theory (DFT) calculations and we predict that the formation of AsS dianion groups is the most energetically favourable mechanism. The results also suggest that the presence of arsenic will accelerate the dissolution and thus the generation of acid drainage, when the crystal dissolves in oxidising conditions.

Niobium oxide synthesized via etching agent - assisted hydrothermal process: A films with low reflectance properties

NASA Astrophysics Data System (ADS)

Rani, Rozina Abdul; Zoolfakar, Ahmad Sabirin; Alrokayan, Salman; Khan, Haseeb; Rusop, M.

2018-05-01

In this paper, synthesis of the hydrothermal based etching process of niobium oxide (Nb2O5) films and their reflectance properties are presented. The concentration of etching agent, which is ammonium fluoride (NH4F) in the hydrothermal solution as well as the grain size and the annealing condition have significantly affected the reflectance properties of Nb2O5 films. Films that synthesized in 1.65M of NH4F solution showed the lowest percentage of reflectance value of 3.22% at 222 nm. The obtained reflectance results have shown that this kind of Nb2O5 films is very suitable for anti-reflective coating layer and UV sensor application.

Fifth-order complex Korteweg-de Vries-type equations

NASA Astrophysics Data System (ADS)

Khanal, Netra; Wu, Jiahong; Yuan, Juan-Ming

2012-05-01

This paper studies spatially periodic complex-valued solutions of the fifth-order Korteweg-de Vries (KdV)-type equations. The aim is at several fundamental issues including the existence, uniqueness and finite-time blowup problems. Special attention is paid to the Kawahara equation, a fifth-order KdV-type equation. When a Burgers dissipation is attached to the Kawahara equation, we establish the existence and uniqueness of the Fourier series solution with the Fourier modes decaying algebraically in terms of the wave numbers. We also examine a special series solution to the Kawahara equation and prove the convergence and global regularity of such solutions associated with a single mode initial data. In addition, finite-time blowup results are discussed for the special series solution of the Kawahara equation.

Usefulness of 2D fusion of postmortem CT and antemortem chest radiography studies for human identification.

PubMed

Shinkawa, Norihiro; Hirai, Toshinori; Nishii, Ryuichi; Yukawa, Nobuhiro

2017-06-01

To determine the feasibility of human identification through the two-dimensional (2D) fusion of postmortem computed tomography (PMCT) and antemortem chest radiography. The study population consisted of 15 subjects who had undergone chest radiography studies more than 12 months before death. Fused images in which a chest radiograph was fused with a PMCT image were obtained for those subjects using a workstation, and the minimum distance gaps between corresponding anatomical landmarks (located at soft tissue and bone sites) in the images obtained with the two modalities were calculated. For each fused image, the mean of all these minimum distance gaps was recorded as the mean distance gap (MDG). For each subject, the MDG obtained for the same-subject fused image (i.e., where both of the images that were fused derived from that subject) was compared with the MDGs for different-subject fused images (i.e., where only one of the images that were fused derived from that subject; the other image derived from a different subject) in order to determine whether same-subject fused images can be reliably distinguished from different-subject fused images. The MDGs of the same-subject fused images were found to be significantly smaller than the MDGs of the different-subject fused images (p < 0.01). When bone landmarks were used, the same-subject fused image was found to be the fused image with the lowest MDG for 33.3% of the subjects, the fused image with the lowest or second-lowest MDG for 73.3% of the subjects, and the fused image with the lowest, second-lowest, or third-lowest MDG for 86.7% of the subjects. The application of bone landmarks rather than soft-tissue landmarks made it significantly more likely that, for each subject, the same-subject fused image would have the lowest MDG (or one of the lowest MDGs) of all the fused images compared (p < 0.05). The 2D fusion of antemortem chest radiography and postmortem CT images may assist in human identification.

Application of the principal fractional meta-trigonometric functions for the solution of linear commensurate-order time-invariant fractional differential equations.

PubMed

Lorenzo, C F; Hartley, T T; Malti, R

2013-05-13

A new and simplified method for the solution of linear constant coefficient fractional differential equations of any commensurate order is presented. The solutions are based on the R-function and on specialized Laplace transform pairs derived from the principal fractional meta-trigonometric functions. The new method simplifies the solution of such fractional differential equations and presents the solutions in the form of real functions as opposed to fractional complex exponential functions, and thus is directly applicable to real-world physics.

Multiple positive solutions to a coupled systems of nonlinear fractional differential equations.

PubMed

Shah, Kamal; Khan, Rahmat Ali

2016-01-01

In this article, we study existence, uniqueness and nonexistence of positive solution to a highly nonlinear coupled system of fractional order differential equations. Necessary and sufficient conditions for the existence and uniqueness of positive solution are developed by using Perov's fixed point theorem for the considered problem. Further, we also established sufficient conditions for existence of multiplicity results for positive solutions. Also, we developed some conditions under which the considered coupled system of fractional order differential equations has no positive solution. Appropriate examples are also provided which demonstrate our results.

Controlling Molecular Ordering in Solution-State Conjugated Polymers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Jiahua; Han, Youngkyu; Kumar, Rajeev

Rationally encoding molecular interactions that can control the assembly structure and functional expression in solution of conjugated polymers holds great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution,more » we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.« less

Controlling Molecular Ordering in Solution-State Conjugated Polymers

DOE PAGES

Zhu, Jiahua; Han, Youngkyu; Kumar, Rajeev; ...

2015-07-17

Rationally encoding molecular interactions that can control the assembly structure and functional expression in solution of conjugated polymers holds great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution,more » we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.« less

Numerical applications of the advective-diffusive codes for the inner magnetosphere

NASA Astrophysics Data System (ADS)

Aseev, N. A.; Shprits, Y. Y.; Drozdov, A. Y.; Kellerman, A. C.

2016-11-01

In this study we present analytical solutions for convection and diffusion equations. We gather here the analytical solutions for the one-dimensional convection equation, the two-dimensional convection problem, and the one- and two-dimensional diffusion equations. Using obtained analytical solutions, we test the four-dimensional Versatile Electron Radiation Belt code (the VERB-4D code), which solves the modified Fokker-Planck equation with additional convection terms. The ninth-order upwind numerical scheme for the one-dimensional convection equation shows much more accurate results than the results obtained with the third-order scheme. The universal limiter eliminates unphysical oscillations generated by high-order linear upwind schemes. Decrease in the space step leads to convergence of a numerical solution of the two-dimensional diffusion equation with mixed terms to the analytical solution. We compare the results of the third- and ninth-order schemes applied to magnetospheric convection modeling. The results show significant differences in electron fluxes near geostationary orbit when different numerical schemes are used.

Spectroscopic Signatures and Structural Motifs of Dopamine: a Computational Study

NASA Astrophysics Data System (ADS)

Srivastava, Santosh Kumar; Singh, Vipin Bahadur

2016-06-01

Dopamine (DA) is an essential neurotransmitter in the central nervous system and it plays integral role in numerous brain functions including behaviour, cognition, emotion, working memory and associated learning. In the present work the conformational landscapes of neutral and protonated dopamine have been investigated in the gas phase and in aqueous solution by MP2 and DFT (M06-2X, ωB97X-D, B3LYP and B3LYP-D3) methods. Twenty lowest energy structures of neutral DA were subjected to geometry optimization and the gauche conformer, GIa, was found to be the lowest gas phase structure at the each level of theory in agreement with the experimental rotational spectroscopy. All folded gauche conformers (GI) where lone electron pair of the NH2 group is directed towards the π system of the aromatic ring ( 'non up' ) are found more stable in the gas phase. While in aqueous solution, all those gauche conformers (GII) where lone electron pair of the NH2 group is directed opposite from the π system of the aromatic ring ('up' structures) are stabilized significantly.Nine lowest energy structures, protonated at the amino group, are optimized at the same MP2/aug-cc-pVDZ level of theory. In the most stable gauche structures, g-1 and g+1, mainly electrostatic cation - π interaction is further stabilized by significant dispersion forces as predicted by the substantial differences between the DFT and dispersion corrected DFT-D3 calculations. In aqueous environment the intra-molecular cation- π distance in g-1 and g+1 isomers, slightly increases compared to the gas phase and the magnitude of the cation- π interaction is reduced relative to the gas phase, because solvation of the cation decreases its interaction energy with the π face of aromatic system. The IR intensity of the bound N-H+ stretching mode provides characteristic 'IR spectroscopic signatures' which can reflect the strength of cation- π interaction energy. The CC2 lowest lying S1 ( 1ππ* ) excited state of neutral dopamine is significantly red shifted upon protonation at amino site. E. Dragicevic, J. Schiemann and B. Liss, Neuroscience, 2015, 284, 798. Y. T. Chien et al. Science, 2010, 330, 1091. Cabezas etal., J. Phys. Chem. Lett. 2013, 4, 486.

Development of higher-order modal methods for transient thermal and structural analysis

NASA Technical Reports Server (NTRS)

Camarda, Charles J.; Haftka, Raphael T.

1989-01-01

A force-derivative method which produces higher-order modal solutions to transient problems is evaluated. These higher-order solutions converge to an accurate response using fewer degrees-of-freedom (eigenmodes) than lower-order methods such as the mode-displacement or mode-acceleration methods. Results are presented for non-proportionally damped structural problems as well as thermal problems modeled by finite elements.

Experimental design for estimating parameters of rate-limited mass transfer: Analysis of stream tracer studies

USGS Publications Warehouse

Wagner, Brian J.; Harvey, Judson W.

1997-01-01

Tracer experiments are valuable tools for analyzing the transport characteristics of streams and their interactions with shallow groundwater. The focus of this work is the design of tracer studies in high-gradient stream systems subject to advection, dispersion, groundwater inflow, and exchange between the active channel and zones in surface or subsurface water where flow is stagnant or slow moving. We present a methodology for (1) evaluating and comparing alternative stream tracer experiment designs and (2) identifying those combinations of stream transport properties that pose limitations to parameter estimation and therefore a challenge to tracer test design. The methodology uses the concept of global parameter uncertainty analysis, which couples solute transport simulation with parameter uncertainty analysis in a Monte Carlo framework. Two general conclusions resulted from this work. First, the solute injection and sampling strategy has an important effect on the reliability of transport parameter estimates. We found that constant injection with sampling through concentration rise, plateau, and fall provided considerably more reliable parameter estimates than a pulse injection across the spectrum of transport scenarios likely encountered in high-gradient streams. Second, for a given tracer test design, the uncertainties in mass transfer and storage-zone parameter estimates are strongly dependent on the experimental Damkohler number, DaI, which is a dimensionless combination of the rates of exchange between the stream and storage zones, the stream-water velocity, and the stream reach length of the experiment. Parameter uncertainties are lowest at DaI values on the order of 1.0. When DaI values are much less than 1.0 (owing to high velocity, long exchange timescale, and/or short reach length), parameter uncertainties are high because only a small amount of tracer interacts with storage zones in the reach. For the opposite conditions (DaI ≫ 1.0), solute exchange rates are fast relative to stream-water velocity and all solute is exchanged with the storage zone over the experimental reach. As DaI increases, tracer dispersion caused by hyporheic exchange eventually reaches an equilibrium condition and storage-zone exchange parameters become essentially nonidentifiable.

78 FR 31986 - In the Matter of Energy Solutions Inc.; Order Approving Indirect Transfer of Import and Export...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-28

... NUCLEAR REGULATORY COMMISSION [Docket Nos. 11005621, 11005896, 11005620, 11005897, 11006061, 11005840, 11005941; License Nos. IW017, IW029, XW010, XW018, XW020, XCOM1211, XSOU8825] In the Matter of Energy Solutions Inc.; Order Approving Indirect Transfer of Import and Export Licenses I EnergySolutions...

Theory of Metastable State Relaxation for Non-Critical Binary Systems with Non-Conserved Order Parameter

NASA Technical Reports Server (NTRS)

Izmailov, Alexander; Myerson, Allan S.

1993-01-01

A new mathematical ansatz for a solution of the time-dependent Ginzburg-Landau non-linear partial differential equation is developed for non-critical systems such as non-critical binary solutions (solute + solvent) described by the non-conserved scalar order parameter. It is demonstrated that in such systems metastability initiates heterogeneous solute redistribution which results in formation of the non-equilibrium singly-periodic spatial solute structure. It is found how the time-dependent period of this structure evolves in time. In addition, the critical radius r(sub c) for solute embryo of the new solute rich phase together with the metastable state lifetime t(sub c) are determined analytically and analyzed.

Invariant Functions, Symmetries and Primary Branch Solutions of First Order Autonomous Systems

NASA Astrophysics Data System (ADS)

Lou, Sen-Yue; Yao, Ruo-Xia

2017-07-01

An invariant function (IF) is defined as a multiplier of a symmetry that means a symmetry multiplied by an IF is still a symmetry. Primary branch solutions of arbitrary first order scalar systems can be obtained by means of the IF and its related symmetry approach. Especially, one recursion operator and some sets of infinitely many high order symmetries are also explicitly given for arbitrary (1+1)-dimensional first order autonomous systems. Because of the intrusion of the arbitrary function, various implicit special exact solutions can be found by fixing the arbitrary functions and selecting different seed solutions. Supported by the National Natural Science Foundations of China under Grant Nos. 11435005, 11471004, 11175092, and 11205092, Shanghai Knowledge Service Platform for Trustworthy Internet of Things No. ZF1213 and K. C. Wong Magna Fund in Ningbo University

Second-order rogue wave breathers in the nonlinear Schrödinger equation with quadratic potential modulated by a spatially-varying diffraction coefficient.

PubMed

Zhong, Wei-Ping; Belić, Milivoj; Zhang, Yiqi

2015-02-09

Nonlinear Schrödinger equation with simple quadratic potential modulated by a spatially-varying diffraction coefficient is investigated theoretically. Second-order rogue wave breather solutions of the model are constructed by using the similarity transformation. A modal quantum number is introduced, useful for classifying and controlling the solutions. From the solutions obtained, the behavior of second order Kuznetsov-Ma breathers (KMBs), Akhmediev breathers (ABs), and Peregrine solitons is analyzed in particular, by selecting different modulation frequencies and quantum modal parameter. We show how to generate interesting second order breathers and related hybrid rogue waves. The emergence of true rogue waves - single giant waves that are generated in the interaction of KMBs, ABs, and Peregrine solitons - is explicitly displayed in our analytical solutions.

Research on the sonic boom problem. Part 1: Second-order solutions for the flow field around slender bodies in supersonic flow for sonic boom analysis

NASA Technical Reports Server (NTRS)

Landahl, M.; Loefgren, P.

1973-01-01

A second-order theory for supersonic flow past slender bodies is presented. Through the introduction of characteristic coordinates as independent variables and the expansion procedure proposed by Lin and Oswatitsch, a uniformly valid solution is obtained for the whole flow field in the axisymmetric case and for far field in the general three-dimensional case. For distances far from the body the theory is an extension of Whitham's first-order solution and for the domain close to the body it is a modification of Van Dyke's second-order solution in the axisymmetric case. From the theory useful formulas relating flow deflections to the Whitham F-function are derived, which permits one to determine the sonic boom strength from wind tunnel measurements fairly close to the body.

High-Order Residual-Distribution Schemes for Discontinuous Problems on Irregular Triangular Grids

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Nishikawa, Hiroaki

2016-01-01

In this paper, we develop second- and third-order non-oscillatory shock-capturing hyperbolic residual distribution schemes for irregular triangular grids, extending our second- and third-order schemes to discontinuous problems. We present extended first-order N- and Rusanov-scheme formulations for hyperbolic advection-diffusion system, and demonstrate that the hyperbolic diffusion term does not affect the solution of inviscid problems for vanishingly small viscous coefficient. We then propose second- and third-order blended hyperbolic residual-distribution schemes with the extended first-order Rusanov-scheme. We show that these proposed schemes are extremely accurate in predicting non-oscillatory solutions for discontinuous problems. We also propose a characteristics-based nonlinear wave sensor for accurately detecting shocks, compression, and expansion regions. Using this proposed sensor, we demonstrate that the developed hyperbolic blended schemes do not produce entropy-violating solutions (unphysical stocks). We then verify the design order of accuracy of these blended schemes on irregular triangular grids.

Binding free energy analysis of protein-protein docking model structures by evERdock.

PubMed

Takemura, Kazuhiro; Matubayasi, Nobuyuki; Kitao, Akio

2018-03-14

To aid the evaluation of protein-protein complex model structures generated by protein docking prediction (decoys), we previously developed a method to calculate the binding free energies for complexes. The method combines a short (2 ns) all-atom molecular dynamics simulation with explicit solvent and solution theory in the energy representation (ER). We showed that this method successfully selected structures similar to the native complex structure (near-native decoys) as the lowest binding free energy structures. In our current work, we applied this method (evERdock) to 100 or 300 model structures of four protein-protein complexes. The crystal structures and the near-native decoys showed the lowest binding free energy of all the examined structures, indicating that evERdock can successfully evaluate decoys. Several decoys that show low interface root-mean-square distance but relatively high binding free energy were also identified. Analysis of the fraction of native contacts, hydrogen bonds, and salt bridges at the protein-protein interface indicated that these decoys were insufficiently optimized at the interface. After optimizing the interactions around the interface by including interfacial water molecules, the binding free energies of these decoys were improved. We also investigated the effect of solute entropy on binding free energy and found that consideration of the entropy term does not necessarily improve the evaluations of decoys using the normal model analysis for entropy calculation.

Low temperature hot air drying of potato cubes subjected to osmotic dehydration and intermittent microwave: drying kinetics, energy consumption and product quality indexes

NASA Astrophysics Data System (ADS)

Dehghannya, Jalal; Bozorghi, Somayyeh; Heshmati, Maryam Khakbaz

2018-04-01

Hot-air drying is a slow energy-extensive process. Use of intermittent microwave (IM) in hot-air (HA) drying of food products is characterized with advantages including reduced process time, energy saving, and improved final quality. In this study, the effect of IM-HA drying following an osmotic dehydration (OD) pretreatment was analyzed on qualitative and quantitative properties of the output (i.e. effective moisture diffusion coefficient (Deff), shrinkage, bulk density, rehydration and energy consumption). Temperature and airflow velocity were fixed at 40°C and 1 m/s, respectively. The process variables included sucrose solution concentration at five levels (0 or control, 10, 30, 50 and 70 w/w%), microwave output power at four levels (0 or control, 360, 600 and 900 W), and pulse ratio at four levels (1, 2, 3 and 4). Use of osmotic dehydration in combination with IM-HA drying reduced the drying time by up to about 54%. Increasing the osmotic solution concentration to 30% and using higher pulse ratios increased the Deff. The lowest shrinkage and bulk density as well as the highest rehydration belonged to the 900 W microwave power and pulse ratio of 4. The lowest energy consumption was observed when using the 900 W power level, showing 63.27% less consumption than the HA drying method.

Binding free energy analysis of protein-protein docking model structures by evERdock

NASA Astrophysics Data System (ADS)

Takemura, Kazuhiro; Matubayasi, Nobuyuki; Kitao, Akio

2018-03-01

To aid the evaluation of protein-protein complex model structures generated by protein docking prediction (decoys), we previously developed a method to calculate the binding free energies for complexes. The method combines a short (2 ns) all-atom molecular dynamics simulation with explicit solvent and solution theory in the energy representation (ER). We showed that this method successfully selected structures similar to the native complex structure (near-native decoys) as the lowest binding free energy structures. In our current work, we applied this method (evERdock) to 100 or 300 model structures of four protein-protein complexes. The crystal structures and the near-native decoys showed the lowest binding free energy of all the examined structures, indicating that evERdock can successfully evaluate decoys. Several decoys that show low interface root-mean-square distance but relatively high binding free energy were also identified. Analysis of the fraction of native contacts, hydrogen bonds, and salt bridges at the protein-protein interface indicated that these decoys were insufficiently optimized at the interface. After optimizing the interactions around the interface by including interfacial water molecules, the binding free energies of these decoys were improved. We also investigated the effect of solute entropy on binding free energy and found that consideration of the entropy term does not necessarily improve the evaluations of decoys using the normal model analysis for entropy calculation.

Injectable self-healing carboxymethyl chitosan-zinc supramolecular hydrogels and their antibacterial activity.

PubMed

Wahid, Fazli; Zhou, Ya-Ning; Wang, Hai-Song; Wan, Tong; Zhong, Cheng; Chu, Li-Qiang

2018-04-07

Injectable and self-healing hydrogels have found numerous applications in drug delivery, tissue engineering and 3D cell culture. Herein, we report an injectable self-healing carboxymethyl chitosan (CMCh) supramolecular hydrogels cross-linked by zinc ions (Zn 2+ ). Supramolecular hydrogels were obtained by simple addition of metal ions solution to CMCh solution at an appropriate pH value. The mechanical properties of these hydrogels were adjustable by the concentration of Zn 2+ . For example, the hydrogel with the highest concentration of Zn 2+ (CMCh-Zn4) showed strongest mechanical properties (storage modulus~11,000Pa) while hydrogel with the lowest concentration of Zn 2+ (CMCh-Zn1) showed weakest mechanical properties (storage modulus~220Pa). As observed visually and confirmed rheologically, the CMCh-Zn1 hydrogel with the lowest Zn 2+ concentration showed thixotropic property. CMCh-Zn1 hydrogel also presented injectable property. Moreover, the antibacterial properties of the prepared supramolecular hydrogels were studied against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) by agar well diffusion method. The results revealed Zn 2+ dependent antibacterial properties against both kinds of strains. The inhibition zones were ranging from ~11-24mm and ~10-22mm against S. aureus and E. coli, respectively. We believe that the prepared supramolecular hydrogels could be used as a potential candidate in biomedical fields. Copyright © 2018 Elsevier B.V. All rights reserved.

Effect of Ternary Solutes on the Evolution of Structure and Gel Formation in Amphiphilic Copolymer Solutions

NASA Astrophysics Data System (ADS)

Meznarich, Norman Anthony Kang

Aqueous solutions of polyoxyethylene-polyoxypropylene-polyoxyethylene (PEO-PPO-PEO) amphiphilic triblock copolymers (commercially known as Pluronic surfactants) undergo reversible and temperature-dependent micellization and arrangement into cubic ordered lattices known as "micelle gels". The macroscopic behavior of the ordering is a transition from a liquid to a gel. While the phase behavior and gel structure of pure Pluronic surfactant solutions have been well studied, less is known about the effects of added ternary solutes. In this dissertation, a comprehensive investigation into the effects of the added pharmaceutical methylparaben on solutions of F127 ranging from 10 to 30 wt% was conducted in order to better understand the behavior of F127 in multicomponent pharmaceutical formulations. The viscoelastic properties of F127 gel formation were studied using rheometry, where heating rates of 0.1, 1, and 10 degrees C/min were also used to probe the kinetics of the gel transition. In solutions containing methylparaben, F127 gelation occurred at up to 15 degrees C lower temperatures and was accelerated by a factor of three to four. Small angle x-ray scattering (SAXS) was used to characterize the structure of the ordered domains, and how they were affected by the presence of dissolved pharmaceuticals. It was found that ordered domain formation changed from heterogeneous nucleation and growth to possible homogeneous nucleation and growth. A roughly 2% reduction in the cubic lattice parameter was also observed for solutions containing methylparaben. Differential scanning calorimetry (DSC) experiments were performed on a series of different Pluronic surfactants in order to characterize the micellization behavior as a function of PPO center block length and PEO/PPO ratio. Added methylparaben suppressed the micellization endotherm, the degree of suppression depending linearly on the amount of added methylparaben, as well as the length of the PPO center block and PEO/PPO ratio. This dissertation yielded a thorough characterization of the changes in micellization and gelation behavior in F127 gels as a result of added pharmaceuticals. Previously unobserved behavior such as the onset of ordered domain formation in F127 gels was observed, and a greater understanding of the interactions between amphiphilic copolymer solutions and dissolved solutes was achieved.

48 CFR 52.247-36 - F.a.s. Vessel, Port of Shipment.

Code of Federal Regulations, 2012 CFR

2012-10-01

... transportation in conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment in good order and condition... or within the period specified in the contract; and (ii) Pay and bear all applicable charges...

48 CFR 52.247-36 - F.a.s. Vessel, Port of Shipment.

Code of Federal Regulations, 2013 CFR

2013-10-01

... transportation in conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment in good order and condition... or within the period specified in the contract; and (ii) Pay and bear all applicable charges...

48 CFR 52.247-36 - F.a.s. Vessel, Port of Shipment.

Code of Federal Regulations, 2010 CFR

2010-10-01

... transportation in conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment in good order and condition... or within the period specified in the contract; and (ii) Pay and bear all applicable charges...

48 CFR 52.247-36 - F.a.s. Vessel, Port of Shipment.

Code of Federal Regulations, 2011 CFR

2011-10-01

... transportation in conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment in good order and condition... or within the period specified in the contract; and (ii) Pay and bear all applicable charges...

48 CFR 52.247-36 - F.a.s. Vessel, Port of Shipment.

Code of Federal Regulations, 2014 CFR

2014-10-01

... transportation in conformance with carrier requirements to protect the goods and to ensure assessment of the lowest applicable transportation charge; (2)(i) Deliver the shipment in good order and condition... or within the period specified in the contract; and (ii) Pay and bear all applicable charges...

41 CFR 101-27.102-3 - Limitations on use.

Code of Federal Regulations, 2011 CFR

2011-07-01

... possible replenishments for a given level of inventory investment; or (2) The lowest possible level of... possession, the economic purchase quantity (EPQ) principle shall be used as described in the GSA Handbook. The Economic Order Quantity Principle and Applications. [29 FR 15997, Dec. 1, 1964, as amended at 31...

75 FR 32426 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-08

... School Improvement Grants (SIG) authorized under section 1003(g) of Title I of the Elementary and... must use to award ARRA and FY 2009 SIG funds to local educational agencies (LEAs). In awarding these... to their lowest-achieving schools eligible to receive services provided through SIG funds in order to...

Soil Genesis and Development, Lesson 5 - Soil Geography and Classification

USDA-ARS?s Scientific Manuscript database

The system of soil classification developed by the United States Department of Agriculture (USDA) is called Soil Taxonomy. Soil Taxonomy consists of a hierarchy of six levels which, from highest to lowest, are: Order, Suborder, Great Group, Subgroup, family, and series. This lesson will focus on bro...

The Vertical Linear Fractional Initialization Problem

NASA Technical Reports Server (NTRS)

Lorenzo, Carl F.; Hartley, Tom T.

1999-01-01

This paper presents a solution to the initialization problem for a system of linear fractional-order differential equations. The scalar problem is considered first, and solutions are obtained both generally and for a specific initialization. Next the vector fractional order differential equation is considered. In this case, the solution is obtained in the form of matrix F-functions. Some control implications of the vector case are discussed. The suggested method of problem solution is shown via an example.

Operator Factorization and the Solution of Second-Order Linear Ordinary Differential Equations

ERIC Educational Resources Information Center

Robin, W.

2007-01-01

The theory and application of second-order linear ordinary differential equations is reviewed from the standpoint of the operator factorization approach to the solution of ordinary differential equations (ODE). Using the operator factorization approach, the general second-order linear ODE is solved, exactly, in quadratures and the resulting…

Reflecting Solutions of High Order Elliptic Differential Equations in Two Independent Variables Across Analytic Arcs. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Carleton, O.

1972-01-01

Consideration is given specifically to sixth order elliptic partial differential equations in two independent real variables x, y such that the coefficients of the highest order terms are real constants. It is assumed that the differential operator has distinct characteristics and that it can be factored as a product of second order operators. By analytically continuing into the complex domain and using the complex characteristic coordinates of the differential equation, it is shown that its solutions, u, may be reflected across analytic arcs on which u satisfies certain analytic boundary conditions. Moreover, a method is given whereby one can determine a region into which the solution is extensible. It is seen that this region of reflection is dependent on the original domain of difinition of the solution, the arc and the coefficients of the highest order terms of the equation and not on any sufficiently small quantities; i.e., the reflection is global in nature. The method employed may be applied to similar differential equations of order 2n.

Lump solutions and interaction phenomenon to the third-order nonlinear evolution equation

NASA Astrophysics Data System (ADS)

Kofane, T. C.; Fokou, M.; Mohamadou, A.; Yomba, E.

2017-11-01

In this work, the lump solution and the kink solitary wave solution from the (2 + 1) -dimensional third-order evolution equation, using the Hirota bilinear method are obtained through symbolic computation with Maple. We have assumed that the lump solution is centered at the origin, when t = 0 . By considering a mixing positive quadratic function with exponential function, as well as a mixing positive quadratic function with hyperbolic cosine function, interaction solutions like lump-exponential and lump-hyperbolic cosine are presented. A completely non-elastic interaction between a lump and kink soliton is observed, showing that a lump solution can be swallowed by a kink soliton.

Waste isolation safety assessment program. Task 4. Collection and generation of transport data theoretical and experimental evaluation of waste transport in selected rocks. Annual progress report, October 1, 1978-September 30, 1979

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silva, R.J.; Benson, L.V.; Yee, A.W.

1979-09-30

The objective of the program is to establish a basis for the prediction of radionuclide sorption in geologic environments. In FY 79, experimental and theoretical efforts were concentrated on a study of the sorption of cesium on the solid substrates Min-u-sil (quartz) and Belle Fourche clay (montmorillonite). Cesium sorption isotherms were obtained for the two substrates at 26/sup 0/C as a function of initial Cs concentration in solution (10/sup -3/M to 10/sup -9/M), pH (5 to 10) and supporting electrolyte concentration (0.002M, 0.01M, 0.1M, and 1M) NaCl and a simulated basalt groundwater in batch-type experiments using crushed material. Characterization ofmore » the solid phases included measurements of chemical compositions, particle sizes, surface areas, and cation-exchange capacities. In addition, potentiometric acid/base titrations of the solid phases were conducted in order to determine the acid dissociation and electrolyte exchange constants of the surfaces. Preliminary analysis of the sorption data indicate that while the clay data could be explained by simple mass-action expressions, the quartz data could not. Theoretical efforts were aimed at developing and testing an electrolyte binding electrical double-layer model to predict sorption isotherms. A computerized version of the model, MINEQL, which simultaneously considers surface and solution chemical equilibria, was brought to operational status. Input parameters required by MINEQL were determined and sorption isotherms for Cs on the Belle Fourche clay were calculated over the same range of parameters as the experimental measurements. Comparisons showed that the model was able to simulate the isotherms quite well except at the lowest pH values for the 0.002M and 0.01M NaCl solutions.« less

Coherent pulses in the diffusive transport of charged particles`

NASA Technical Reports Server (NTRS)

Kota, J.

1994-01-01

We present exact solutions to the diffusive transport of charged particles following impulsive injection for a simple model of scattering. A modified, two-parameter relaxation-time model is considered that simulates the low rate of scattering through perpendicular pitch-angle. Scattering is taken to be isotropic within each of the foward- and backward-pointing hemispheres, respectively, but, at the same time, a reduced rate of sccattering is assumed from one hemisphere to the other one. By applying a technique of Fourier- and Laplace-transform, the inverse transformation can be performed and exact solutions can be reached. By contrast with the first, and so far only exact solutions of Federov and Shakov, this wider class of solutions gives rise to coherent pulses to appear. The present work addresses omnidirectional densities for isotropic injection from an instantaneous and localized source. The dispersion relations are briefly discussed. We find, for this particular model, two diffusive models to exist up to a certain limiting wavenumber. The corresponding eigenvalues are real at the lowest wavenumbers. Complex eigenvalues, which are responsible for coherent pulses, appear at higher wavenumbers.

Corrosion of Cu-xZn alloys in slightly alkaline chloride solutions studied by stripping voltammetry and microanalysis.

PubMed

Milosev, I; Minović, A

2001-01-01

The mechanism of corrosion of Cu-xZn alloys (x = 10-40 wt %) in slightly alkaline chloride solutions was investigated by analysing solid reaction products by energy dispersive X-ray analysis (EDS) and dissolved reaction products by differential anodic pulse stripping (DAPS) voltammetry. The corrosion process was studied under open circuit and under potentiostatic conditions at selected potentials. Pure metals were studied comparatively so that an interacting effect of particular metal components in the alloy could be determined. All four Cu-xZn alloys show an improved behaviour compared to pure metals. Under open-circuit condition both components dissolve simultaneously in the solution. With increasing immersion time the preferential, dissolution of zinc in the solution becomes pronounced. It is the highest for Cu-10Zn and the lowest for Cu-30Zn alloy. Under potentiostatic control the dissolution mechanism depends on the electrode potential and changes from exclusive dissolution of zinc to simultaneous dissolution of both components with preferential dissolution of zinc. The latter decreases, as the electrode potential becomes more positive.

Structure, function, and long-term maintenance of the isolated turtle colon

DOE Office of Scientific and Technical Information (OSTI.GOV)

LeFevre, M.E.; Reisman, L.

1978-01-01

We describe the 5-day maintenance of sacs of turtle colonic mucosa in enriched bathing solutions. The mean maximum transepithelial potential difference (PD) developed by the sacs in Ringer solution enriched with tissue-culture medium and gassed with 95% air-5% CO/sub 2/ was 126 mV at 24 hours. Lower values were observed in other solutions. The PD of 24-hour sacs was partially or totally inhibited by ouabain, replacement of Na by choline in mucosal bathing fluids, or removal of Ca from serosal bathing fluids. The sacs transported Na in excess of H/sub 2/O forming a dilute mucosal solution. The responses of fourmore » different sac preparations (normally oriented or everted, and stripped normally oriented or everted) to long incubation were compared. Stripped normally oriented tissue developed the highest PD and maintained the lowest water content. The morphology of fresh and long-incubated tissue was examined. This investigation demonstrates that the turtle colon can be maintained in vitro for long periods, and it provides information on the morphology and physiology of this tissue.« less

Holomorphic Hartree-Fock Theory: The Nature of Two-Electron Problems.

PubMed

Burton, Hugh G A; Gross, Mark; Thom, Alex J W

2018-02-13

We explore the existence and behavior of holomorphic restricted Hartree-Fock (h-RHF) solutions for two-electron problems. Through algebraic geometry, the exact number of solutions with n basis functions is rigorously identified as 1 / 2 (3 n - 1), proving that states must exist for all molecular geometries. A detailed study on the h-RHF states of HZ (STO-3G) then demonstrates both the conservation of holomorphic solutions as geometry or atomic charges are varied and the emergence of complex h-RHF solutions at coalescence points. Using catastrophe theory, the nature of these coalescence points is described, highlighting the influence of molecular symmetry. The h-RHF states of HHeH 2+ and HHeH (STO-3G) are then compared, illustrating the isomorphism between systems with two electrons and two electron holes. Finally, we explore the h-RHF states of ethene (STO-3G) by considering the π electrons as a two-electron problem and employ NOCI to identify a crossing of the lowest energy singlet and triplet states at the perpendicular geometry.

Ab initio molecular dynamics simulation of LiBr association in water

NASA Astrophysics Data System (ADS)

Izvekov, Sergei; Philpott, Michael R.

2000-12-01

A computationally economical scheme which unifies the density functional description of an ionic solute and the classical description of a solvent was developed. The density functional part of the scheme comprises Car-Parrinello and related formalisms. The substantial saving in the computer time is achieved by performing the ab initio molecular dynamics of the solute electronic structure in a relatively small basis set constructed from lowest energy Kohn-Sham orbitals calculated for a single anion in vacuum, instead of using plane wave basis. The methodology permits simulation of an ionic solution for longer time scales while keeping accuracy in the prediction of the solute electronic structure. As an example the association of the Li+-Br- ion-pair system in water is studied. The results of the combined molecular dynamics simulation are compared with that obtained from the classical simulation with ion-ion interaction described by the pair potential of Born-Huggins-Mayer type. The comparison reveals an important role played by the polarization of the Br- ion in the dynamics of ion pair association.

Analytical model for advective-dispersive transport involving flexible boundary inputs, initial distributions and zero-order productions

NASA Astrophysics Data System (ADS)

Chen, Jui-Sheng; Li, Loretta Y.; Lai, Keng-Hsin; Liang, Ching-Ping

2017-11-01

A novel solution method is presented which leads to an analytical model for the advective-dispersive transport in a semi-infinite domain involving a wide spectrum of boundary inputs, initial distributions, and zero-order productions. The novel solution method applies the Laplace transform in combination with the generalized integral transform technique (GITT) to obtain the generalized analytical solution. Based on this generalized analytical expression, we derive a comprehensive set of special-case solutions for some time-dependent boundary distributions and zero-order productions, described by the Dirac delta, constant, Heaviside, exponentially-decaying, or periodically sinusoidal functions as well as some position-dependent initial conditions and zero-order productions specified by the Dirac delta, constant, Heaviside, or exponentially-decaying functions. The developed solutions are tested against an analytical solution from the literature. The excellent agreement between the analytical solutions confirms that the new model can serve as an effective tool for investigating transport behaviors under different scenarios. Several examples of applications, are given to explore transport behaviors which are rarely noted in the literature. The results show that the concentration waves resulting from the periodically sinusoidal input are sensitive to dispersion coefficient. The implication of this new finding is that a tracer test with a periodic input may provide additional information when for identifying the dispersion coefficients. Moreover, the solution strategy presented in this study can be extended to derive analytical models for handling more complicated problems of solute transport in multi-dimensional media subjected to sequential decay chain reactions, for which analytical solutions are not currently available.

Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - II. Calibration of a combined ordering model and mixing model

USGS Publications Warehouse

McSwiggen, P.L.

1993-01-01

Earlier attempts at solution models for the ternary carbonate system have been unable to adequately accommodate the cation ordering which occurs in some of the carbonate phases. The carbonate solution model of this study combines a Margules type of interaction model with a Bragg-Williams type of ordering model. The ordering model determines the equilibrium state of order for a crystal, from which the cation distribution within the lattice can be obtained. The interaction model addresses the effect that mixing different cation species within a given cation layer has on the total free energy of the system. An ordering model was derived, based on the Bragg-Williams approach; it is applicable to ternary systems involving three cations substituting on two sites, and contains three ordering energy parameters (WCaMg, WCaFe, and WCaMgFe). The solution model of this study involves six Margules-type interaction parameters (W12, W21, W13, W31, W23, and W32). Values for the two sets of energy parameters were calculated from experimental data and from compositional relationships in natural assemblages. ?? 1993 Springer-Verlag.

Bright, dark and W-shaped solitons with extended nonlinear Schrödinger's equation for odd and even higher-order terms

NASA Astrophysics Data System (ADS)

Bendahmane, Issam; Triki, Houria; Biswas, Anjan; Saleh Alshomrani, Ali; Zhou, Qin; Moshokoa, Seithuti P.; Belic, Milivoj

2018-02-01

We present solitary wave solutions of an extended nonlinear Schrödinger equation with higher-order odd (third-order) and even (fourth-order) terms by using an ansatz method. The including high-order dispersion terms have significant physical applications in fiber optics, the Heisenberg spin chain, and ocean waves. Exact envelope solutions comprise bright, dark and W-shaped solitary waves, illustrating the potentially rich set of solitary wave solutions of the extended model. Furthermore, we investigate the properties of these solitary waves in nonlinear and dispersive media. Moreover, specific constraints on the system parameters for the existence of these structures are discussed exactly. The results show that the higher-order dispersion and nonlinear effects play a crucial role for the formation and properties of propagating waves.

Generalized quantum kinetic expansion: Higher-order corrections to multichromophoric Förster theory

NASA Astrophysics Data System (ADS)

Wu, Jianlan; Gong, Zhihao; Tang, Zhoufei

2015-08-01

For a general two-cluster energy transfer network, a new methodology of the generalized quantum kinetic expansion (GQKE) method is developed, which predicts an exact time-convolution equation for the cluster population evolution under the initial condition of the local cluster equilibrium state. The cluster-to-cluster rate kernel is expanded over the inter-cluster couplings. The lowest second-order GQKE rate recovers the multichromophoric Förster theory (MCFT) rate. The higher-order corrections to the MCFT rate are systematically included using the continued fraction resummation form, resulting in the resummed GQKE method. The reliability of the GQKE methodology is verified in two model systems, revealing the relevance of higher-order corrections.

Electroweak and QCD corrections to top-pair hadroproduction in association with heavy bosons

DOE PAGES

Frixione, Stefano; Hirschi, V.; Pagani, D.; ...

2015-06-26

Here, we compute the contribution of order α S 2α 2 to the cross section of a top-antitop pair in association with at least one heavy Standard Model boson — Z, W ±, and Higgs — by including all effects of QCD, QED, and weak origin and by working in the automated MadGraph5_aMC@NLO framework. Furthermore, this next-to-leading order contribution is then combined with that of order αS3α, and with the two dominant lowest-order ones, α S 2α and α Sα 2, to obtain phenomenological results relevant to a 8, 13, and 100 TeV pp collider.

State-dependent impulsive models of integrated pest management (IPM) strategies and their dynamic consequences.

PubMed

Tang, Sanyi; Cheke, Robert A

2005-03-01

A state-dependent impulsive model is proposed for integrated pest management (IPM). IPM involves combining biological, mechanical, and chemical tactics to reduce pest numbers to tolerable levels after a pest population has reached its economic threshold (ET). The complete expression of an orbitally asymptotically stable periodic solution to the model with a maximum value no larger than the given ET is presented, the existence of which implies that pests can be controlled at or below their ET levels. We also prove that there is no periodic solution with order larger than or equal to three, except for one special case, by using the properties of the LambertW function and Poincare map. Moreover, we show that the existence of an order two periodic solution implies the existence of an order one periodic solution. Various positive invariant sets and attractors of this impulsive semi-dynamical system are described and discussed. In particular, several horseshoe-like attractors, whose interiors can simultaneously contain stable order 1 periodic solutions and order 2 periodic solutions, are found and the interior structure of the horseshoe-like attractors is discussed. Finally, the largest invariant set and the sufficient conditions which guarantee the global orbital and asymptotic stability of the order 1 periodic solution in the meaningful domain for the system are given using the Lyapunov function. Our results show that, in theory, a pest can be controlled such that its population size is no larger than its ET by applying effects impulsively once, twice, or at most, a finite number of times, or according to a periodic regime. Moreover, our theoretical work suggests how IPM strategies could be used to alter the levels of the ET in the farmers' favour.

Linear force and moment equations for an annular smooth shaft seal perturbed both angularly and laterally

NASA Technical Reports Server (NTRS)

Fenwick, J.; Dijulio, R.; Ek, M. C.; Ehrgott, R.

1982-01-01

Coefficients are derived for equations expressing the lateral force and pitching moments associated with both planar translation and angular perturbations from a nominally centered rotating shaft with respect to a stationary seal. The coefficients for the lowest order and first derivative terms emerge as being significant and are of approximately the same order of magnitude as the fundamental coefficients derived by means of Black's equations. Second derivative, shear perturbation, and entrance coefficient variation effects are adjudged to be small.

Use of the fractional Fourier transform in {pi}/2 converters of laser modes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malyutin, A A

2004-02-28

The possibility of using the fractional Fourier transform (FrFT) in optical schemes for astigmatic {pi}/2 converters of Hermite-Gaussian modes to donut Laguerre-Gaussian modes is considered. Several schemes of converters based on the FrFT of the half-integer and irrational orders are presented. The lowest FrFT order than can be used in astigmatic mode converters is found. The properties of converters based on the fractional and ordinary Fourier transforms are compared. (laser beams)

A research of selected textural features for detection of asbestos-cement roofing sheets using orthoimages

NASA Astrophysics Data System (ADS)

Książek, Judyta

2015-10-01

At present, there has been a great interest in the development of texture based image classification methods in many different areas. This study presents the results of research carried out to assess the usefulness of selected textural features for detection of asbestos-cement roofs in orthophotomap classification. Two different orthophotomaps of southern Poland (with ground resolution: 5 cm and 25 cm) were used. On both orthoimages representative samples for two classes: asbestos-cement roofing sheets and other roofing materials were selected. Estimation of texture analysis usefulness was conducted using machine learning methods based on decision trees (C5.0 algorithm). For this purpose, various sets of texture parameters were calculated in MaZda software. During the calculation of decision trees different numbers of texture parameters groups were considered. In order to obtain the best settings for decision trees models cross-validation was performed. Decision trees models with the lowest mean classification error were selected. The accuracy of the classification was held based on validation data sets, which were not used for the classification learning. For 5 cm ground resolution samples, the lowest mean classification error was 15.6%. The lowest mean classification error in the case of 25 cm ground resolution was 20.0%. The obtained results confirm potential usefulness of the texture parameter image processing for detection of asbestos-cement roofing sheets. In order to improve the accuracy another extended study should be considered in which additional textural features as well as spectral characteristics should be analyzed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robledo, L. M.; Baldo, M.; Schuck, P.

We discuss the octupole deformation properties of the recently proposed Barcelona-Catania-Paris (BCP) energy density functionals for two sets of isotopes, those of radium and barium, in which it is believed that octupole deformation plays a role in the description of the ground state. The analysis is carried out in the mean field framework (Hartree-Fock-Bogoliubov approximation) by using the axially symmetric octupole moment as a constraint. The main ingredients entering the octupole collective Hamiltonian are evaluated and the lowest-lying octupole eigenstates are obtained. In this way we restore, in an approximate way, the parity symmetry spontaneously broken by the mean fieldmore » and also incorporate octupole fluctuations around the ground-state solution. For each isotope the energy of the lowest lying 1{sup -} state and the B(E1) and B(E3) transition probabilities have been computed and compared to both the experimental data and the results obtained in the same framework with the Gogny D1S interaction, which are used here as a well-established benchmark. Finally, the octupolarity of the configurations involved in the way down to fission of {sup 240}Pu, which is strongly connected to the asymmetric fragment mass distribution, is studied. We confirm with this thorough study the suitability of the BCP functionals to describe octupole-related phenomena.« less

A new class of draw solutions for minimizing reverse salt flux to improve forward osmosis desalination.

PubMed

Nguyen, Hau Thi; Nguyen, Nguyen Cong; Chen, Shiao-Shing; Ngo, Huu Hao; Guo, Wenshan; Li, Chi-Wang

2015-12-15

The applications of forward osmosis (FO) have been hindered because of the lack of an optimal draw solution. The reverse salt flux from the draw solution not only reduces the water flux but also increases the cost of draw solute replenishment. Therefore, in this study, Tergitol NP7 and NP9 with a long straight carbon chain and low critical micelle concentration (CMC) were coupled with highly charged ethylenediaminetetraacetic acid (EDTA) as an innovative draw solution to minimize reverse salt diffusion in FO for the first time. The results showed that the lowest reverse salt flux of 0.067 GMH was observed when 0.1M EDTA-2Na coupled with 15mM NP7 was used as a draw solution and deionized water was used as a feed solution in FO mode (active layer facing with the feed solution). This is due to the hydrophobic interaction between the tails of NP7 and the FO membrane, thus creating layers on the membrane surface and constricting the FO membrane pores. Moreover, 1M EDTA-2Na coupled with 15mM NP7 is promising as an optimal draw solution for brackish water and sea water desalination. Average water fluxes of 7.68, 6.78, and 5.95 LMH were achieved when brackish water was used as a feed solution (5, 10, and 20g/L NaCl), and an average water flux of 3.81 LMH was achieved when sea water was used as a feed solution (35g/L NaCl). The diluted draw solution was recovered using a nanofiltration (NF-TS80) membrane with a high efficiency of 95% because of the high charge and large size of the draw solution. Copyright © 2015 Elsevier B.V. All rights reserved.

De Sitter and scaling solutions in a higher-order modified teleparallel theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paliathanasis, Andronikos, E-mail: anpaliat@phys.uoa.gr

The existence and the stability conditions for some exact relativistic solutions of special interest are studied in a higher-order modified teleparallel gravitational theory. The theory with the use of a Lagrange multiplier is equivalent with that of General Relativity with a minimally coupled noncanonical field. The conditions for the existence of de Sitter solutions and ideal gas solutions in the case of vacuum are studied as also the stability criteria. Furthermore, in the presence of matter the behaviour of scaling solutions is given. Finally, we discuss the degrees of freedom of the field equations and we reduce the field equationsmore » in an algebraic equation, where in order to demonstrate our result we show how this noncanonical scalar field can reproduce the Hubble function of Λ-cosmology.« less

Modeling solute transport in a heterogeneous unsaturated porous medium under dynamic boundary conditions on different spatial scales

NASA Astrophysics Data System (ADS)

Cremer, Clemens; Neuweiler, Insa; Bechtold, Michel

2013-04-01

Understanding transport of solutes/contaminants through unsaturated soil in the shallow subsurface is vital to assess groundwater quality, nutrient cycling or to plan remediation projects. Alternating precipitation and evaporation conditions causing upward and downward flux with differing flow paths, changes in saturation and related structural heterogeneity make the description of transport in the unsaturated zone near the soil-surface a complex problem. Preferential flow paths strongly depend, among other things, on the saturation of a medium. Recent studies (e.g. Bechtold et al., 2011) showed lateral flow and solute transport during evaporation conditions (upward flux) in vertically layered sand columns. Results revealed that during evaporation water and solute are redistributed laterally from coarse to fine media deeper in the soil, and towards zones of lowest hydraulic head near to the soil surface. These zones at the surface can be coarse or fine grained depending on saturation status and evaporation flux. However, if boundary conditions are reversed and precipitation is applied, the flow field is not reversed in the same manner, resulting in entirely different transport patterns for downward and upward flow. Therefore, considering net-flow rates alone is misleading when describing transport in the shallow unsaturated zone. In this contribution, we analyze transport of a solute in the shallow subsurface to assess effects resulting from the superposition of heterogeneous soil structures and dynamic flow conditions on various spatial scales. Two-dimensional numerical simulations of unsaturated flow and transport in heterogeneous porous media under changing boundary conditions are carried out using a finite-volume code coupled to a particle tracking algorithm to quantify solute transport and leaching rates. In order to validate numerical simulations, results are qualitatively compared to those of a physical experiment (Bechtold et al., 2011). Numerical simulations differ in lateral scale reaching from 0.2 m to 1.5 m, while the height of the domain is kept constant to 1.5m. Strong material heterogeneity is realized through vertical layers of coarse and fine sand. Both materials remain permanently under liquid-flow-dominated ('stage1') evaporation conditions. Spatial moments as well as the dilution index (Kitanidis, 1994) are used for quantification of transport behaviour. Results show that, while all simulations led to anomalous transport, infiltration-evaporation cycles lead to faster solute leaching rates than solely infiltration at the same net-infiltration rate in both homogeneous and heterogeneous media. Flow and transport-paths significantly differed between infiltration and evaporation, resulting in lateral water fluxes and hence lateral solute transport. Variation of the width of the model domain shows faster leaching rates for domains with small horizontal extent.

Orientational ordering of a banana-shaped solute molecule in a nematic calamitic solvent by {sup 2}H-NMR spectroscopy: An indication of glasslike behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cinacchi, Giorgio; Domenici, Valentina

The Saupe ordering matrix of a banana-shaped mesogenic molecule as a solute in a common nematic calamitic solvent has been determined by {sup 2}H-NMR spectroscopy as a function of temperature. The temperature dependence of the Saupe ordering matrix element associated with the principal molecular axis is consistent with a glassy behavior in the reorientational motion of this particular solute molecule. The Haller expression, appropriately modified, provides a good fit to the experimental data.

Target correlation effects on neutron-nucleus total, absorption, and abrasion cross sections

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Townsend, Lawrence W.; Wilson, John W.

1991-01-01

Second order optical model solutions to the elastic scattering amplitude were used to evaluate total, absorption, and abrasion cross sections for neutron nucleus scattering. Improved agreement with experimental data for total and absorption cross sections is found when compared with first order (coherent approximation) solutions, especially below several hundred MeV. At higher energies, the first and second order solutions are similar. There are also large differences in abrasion cross section calculations; these differences indicate a crucial role for cluster knockout in the abrasion step.

A preconditioned formulation of the Cauchy-Riemann equations

NASA Technical Reports Server (NTRS)

Phillips, T. N.

1983-01-01

A preconditioning of the Cauchy-Riemann equations which results in a second-order system is described. This system is shown to have a unique solution if the boundary conditions are chosen carefully. This choice of boundary condition enables the solution of the first-order system to be retrieved. A numerical solution of the preconditioned equations is obtained by the multigrid method.

A single-stage flux-corrected transport algorithm for high-order finite-volume methods

DOE PAGES

Chaplin, Christopher; Colella, Phillip

2017-05-08

We present a new limiter method for solving the advection equation using a high-order, finite-volume discretization. The limiter is based on the flux-corrected transport algorithm. Here, we modify the classical algorithm by introducing a new computation for solution bounds at smooth extrema, as well as improving the preconstraint on the high-order fluxes. We compute the high-order fluxes via a method-of-lines approach with fourth-order Runge-Kutta as the time integrator. For computing low-order fluxes, we select the corner-transport upwind method due to its improved stability over donor-cell upwind. Several spatial differencing schemes are investigated for the high-order flux computation, including centered- differencemore » and upwind schemes. We show that the upwind schemes perform well on account of the dissipation of high-wavenumber components. The new limiter method retains high-order accuracy for smooth solutions and accurately captures fronts in discontinuous solutions. Further, we need only apply the limiter once per complete time step.« less

Second order finite-difference ghost-point multigrid methods for elliptic problems with discontinuous coefficients on an arbitrary interface

NASA Astrophysics Data System (ADS)

Coco, Armando; Russo, Giovanni

2018-05-01

In this paper we propose a second-order accurate numerical method to solve elliptic problems with discontinuous coefficients (with general non-homogeneous jumps in the solution and its gradient) in 2D and 3D. The method consists of a finite-difference method on a Cartesian grid in which complex geometries (boundaries and interfaces) are embedded, and is second order accurate in the solution and the gradient itself. In order to avoid the drop in accuracy caused by the discontinuity of the coefficients across the interface, two numerical values are assigned on grid points that are close to the interface: a real value, that represents the numerical solution on that grid point, and a ghost value, that represents the numerical solution extrapolated from the other side of the interface, obtained by enforcing the assigned non-homogeneous jump conditions on the solution and its flux. The method is also extended to the case of matrix coefficient. The linear system arising from the discretization is solved by an efficient multigrid approach. Unlike the 1D case, grid points are not necessarily aligned with the normal derivative and therefore suitable stencils must be chosen to discretize interface conditions in order to achieve second order accuracy in the solution and its gradient. A proper treatment of the interface conditions will allow the multigrid to attain the optimal convergence factor, comparable with the one obtained by Local Fourier Analysis for rectangular domains. The method is robust enough to handle large jump in the coefficients: order of accuracy, monotonicity of the errors and good convergence factor are maintained by the scheme.

Approximate Analytical Solutions for Hypersonic Flow Over Slender Power Law Bodies

NASA Technical Reports Server (NTRS)

Mirels, Harold

1959-01-01

Approximate analytical solutions are presented for two-dimensional and axisymmetric hypersonic flow over slender power law bodies. Both zero order (M approaches infinity) and first order (small but nonvanishing values of 1/(M(Delta)(sup 2) solutions are presented, where M is free-stream Mach number and Delta is a characteristic slope. These solutions are compared with exact numerical integration of the equations of motion and appear to be accurate particularly when the shock is relatively close to the body.

Exact Solutions for the Integrable Sixth-Order Drinfeld-Sokolov-Satsuma-Hirota System by the Analytical Methods.

PubMed

Manafian Heris, Jalil; Lakestani, Mehrdad

2014-01-01

We establish exact solutions including periodic wave and solitary wave solutions for the integrable sixth-order Drinfeld-Sokolov-Satsuma-Hirota system. We employ this system by using a generalized (G'/G)-expansion and the generalized tanh-coth methods. These methods are developed for searching exact travelling wave solutions of nonlinear partial differential equations. It is shown that these methods, with the help of symbolic computation, provide a straightforward and powerful mathematical tool for solving nonlinear partial differential equations.

Gravitational Lensing Corrections in Flat ΛCDM Cosmology

NASA Astrophysics Data System (ADS)

Kantowski, Ronald; Chen, Bin; Dai, Xinyu

2010-08-01

We compute the deflection angle to order (m/r 0)2 and m/r 0 × Λr 2 0 for a light ray traveling in a flat ΛCDM cosmology that encounters a completely condensed mass region. We use a Swiss cheese model for the inhomogeneities and find that the most significant correction to the Einstein angle occurs not because of the nonlinear terms but instead occurs because the condensed mass is embedded in a background cosmology. The Swiss cheese model predicts a decrease in the deflection angle of ~2% for weakly lensed galaxies behind the rich cluster A1689 and that the reduction can be as large as ~5% for similar rich clusters at z ≈ 1. Weak-lensing deflection angles caused by galaxies can likewise be reduced by as much as ~4%. We show that the lowest order correction in which Λ appears is proportional to m/r_0× √{Λ r_0^2}}} and could cause as much as a ~0.02% increase in the deflection angle for light that passes through a rich cluster. The lowest order nonlinear correction in the mass is proportional to m/r_0× √{m/r_0} and can increase the deflection angle by ~0.005% for weak lensing by galaxies.

Emergence of liquid crystalline order in the lowest Landau level of a quantum Hall system with internal anisotropy

NASA Astrophysics Data System (ADS)

Ciftja, Orion

2018-05-01

It has now become evident that interplay between internal anisotropy parameters (such as electron mass anisotropy and/or anisotropic coupling of electrons to the substrate) and electron-electron correlation effects can create a rich variety of possibilities especially in quantum Hall systems. The electron mass anisotropy or material substrate effects (for example, the piezoelectric effect in GaAs) can lead to an effective anisotropic interaction potential between electrons. For lack of knowledge of realistic ab-initio potentials that may describe such effects, we adopt a phenomenological approach and assume that an anisotropic Coulomb interaction potential mimics the internal anisotropy of the system. In this work we investigate the emergence of liquid crystalline order at filling factor ν = 1/6 of the lowest Landau level, a state very close to the point where a transition from the liquid to the Wigner solid happens. We consider small finite systems of electrons interacting with an anisotropic Coulomb interaction potential and study the energy stability of an anisotropic liquid crystalline state relative to its isotropic Fermi-liquid counterpart. Quantum Monte Carlo simulation results in disk geometry show stabilization of liquid crystalline order driven by an anisotropic Coulomb interaction potential at all values of the interaction anisotropy parameter studied.

[Microsite characteristics of pit and mound and their effects on the vegetation regeneration in Pinus koraiensis-dominated broadleaved mixed forest].

PubMed

Du, Shan; Duan, Wen-Biao; Wang, Li-Xia; Chen, Li-Xin; Wei, Quan-Shuai; Li, Meng; Wang, Li-dong

2013-03-01

Abstract: An investigation was conducted in a 2.55 hm2 plot of Pinus koraiensis-dominated broad-leaved mixed forest to study the microsite characteristics of pit and mound formed by 42 treefalls and the status of vegetation regeneration on the microsites. The soil water content, soil temperature, relative air humidity, and photosynthetically active radiation (PAR) on five microsites (mound top, mound face, pit wall, pit bottom, and intact forest floor) were measured. Among the five mirosites, mound top had the highest PAR (527.9 micromol.m-2.s-1 ) while intact forest floor had the lowest one (58.7 micromol.m-2.s-), mound top had the highest soil temperature (16.0 degrees C) but pit bottom had the lowest one (13.3 degrees C), pit bottom had the highest soil water content (34.6%) but mound face had the lowest one (0.5%), and intact forest floor had the highest relative air humidity (75.9%) but mound top had the lowest one (68.0%). The frequency of forming pit/ mound complex by the tree species was decreased in the order of Pinus koraiensis (42. 9%) >Picea asperata (31.0%) > Betula platyphylla (16.7%) > Abies fabri (7. 1%) > Prunus padus (2.4%). Among the 42 treefalls, two-thirds of them were in northwest direction. The treefalls volume had significant positive correlations with pit depth, pit length, mound height, and mound width, but negative correlation with mound thickness. The treefall mean diameter at breast height had significant positive correlations with pit width (r=0.328, P=0.017) and pit length (r=0.527, P= 0). The tree species richness at the microsites decreased in the order of intact forest floor > pit > mound, and the tree species coverage was in the sequence of intact forest floor > pit > mound.

Second-order small disturbance theory for hypersonic flow over power-law bodies. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Townsend, J. C.

1974-01-01

A mathematical method for determining the flow field about power-law bodies in hypersonic flow conditions is developed. The second-order solutions, which reflect the effects of the second-order terms in the equations, are obtained by applying the method of small perturbations in terms of body slenderness parameter to the zeroth-order solutions. The method is applied by writing each flow variable as the sum of a zeroth-order and a perturbation function, each multiplied by the axial variable raised to a power. The similarity solutions are developed for infinite Mach number. All results obtained are for no flow through the body surface (as a boundary condition), but the derivation indicates that small amounts of blowing or suction through the wall can be accommodated.

Generation of higher-order rogue waves from multibreathers by double degeneracy in an optical fiber.

PubMed

Wang, Lihong; He, Jingsong; Xu, Hui; Wang, Ji; Porsezian, Kuppuswamy

2017-04-01

In this paper, we construct a special kind of breather solution of the nonlinear Schrödinger (NLS) equation, the so-called breather-positon (b-positon for short), which can be obtained by taking the limit λ_{j}→λ_{1} of the Lax pair eigenvalues in the order-n periodic solution, which is generated by the n-fold Darboux transformation from a special "seed" solution-plane wave. Further, an order-n b-positon gives an order-n rogue wave under a limit λ_{1}→λ_{0}. Here, λ_{0} is a special eigenvalue in a breather of the NLS equation such that its period goes to infinity. Several analytical plots of order-2 breather confirm visually this double degeneration. The last limit in this double degeneration can be realized approximately in an optical fiber governed by the NLS equation, in which an injected initial ideal pulse is created by a frequency comb system and a programable optical filter (wave shaper) according to the profile of an analytical form of the b-positon at a certain position z_{0}. We also suggest a new way to observe higher-order rogue waves generation in an optical fiber, namely, measure the patterns at the central region of the higher-order b-positon generated by above ideal initial pulses when λ_{1} is very close to the λ_{0}. The excellent agreement between the numerical solutions generated from initial ideal inputs with a low signal-to-noise ratio and analytical solutions of order-2 b-positon supports strongly this way in a realistic optical fiber system. Our results also show the validity of the generating mechanism of a higher-order rogue waves from a multibreathers through the double degeneration.

Application of low-order potential solutions to higher-order vertical traction boundary problems in an elastic half-space

PubMed Central

Taylor, Adam G.

2018-01-01

New solutions of potential functions for the bilinear vertical traction boundary condition are derived and presented. The discretization and interpolation of higher-order tractions and the superposition of the bilinear solutions provide a method of forming approximate and continuous solutions for the equilibrium state of a homogeneous and isotropic elastic half-space subjected to arbitrary normal surface tractions. Past experimental measurements of contact pressure distributions in granular media are reviewed in conjunction with the application of the proposed solution method to analysis of elastic settlement in shallow foundations. A numerical example is presented for an empirical ‘saddle-shaped’ traction distribution at the contact interface between a rigid square footing and a supporting soil medium. Non-dimensional soil resistance is computed as the reciprocal of normalized surface displacements under this empirical traction boundary condition, and the resulting internal stresses are compared to classical solutions to uniform traction boundary conditions. PMID:29892456

a Zero-Order Picture of the Infrared Spectrum for the Methoxy Radical: Assignment of States

NASA Astrophysics Data System (ADS)

Johnson, Britta; Sibert, Edwin

2016-06-01

The ground tilde{X}^2E vibrations of the methoxy radical have intrigued both experimentalists and theorists alike due to the presence of a conical intersection at the C3v molecular geometry. This conical intersection causes methoxy's vibrational spectrum to be strongly influenced by Jahn-Teller vibronic coupling which leads to large amplitude vibrations and extensive mixing of the two lowest electronic states. This coupling combined with spin-orbit and Fermi couplings greatly complicates the assignments of states. Using the potential force field and calculated spectra of Nagesh and Sibert1,2, we assign quantum numbers to the infrared spectrum. When the zero-order states are the diabatic normal mode states, there is sufficient mode mixing that the normal mode quantum numbers are poor labels for the final states. We define a series of zero-order Hamiltonians which include additional coupling elements beyond the normal mode picture but still allow for the assignment of Jahn-Teller quantum numbers. In methoxy, the two lowest frequency e} modes, the bend (q_5) and the rock (q_6), are the modes with the strongest Jahn-Teller coupling. In general, a zero-order Hamiltonian which includes first-order Jahn-Teller coupling in q_6 is sufficient for most states of interest. Working in a representation which includes first-order Jahn-Teller coupling in q_6, we identify states in which additional coupling elements must be included; these couplings include first-order Jahn-Teller coupling in q_5, higher order Jahn-Teller coupling in q_5 and q_6, and, in the dueterated case, Jahn-Teller coupling which is modulated by the corresponding a modes. [^1] Nagesh, J.; Sibert, E. L. J. Phys. Chem. A 2012, 116, 3846-3855. Lee, Y.F.; Chou, W.T.; Johnson, B.A.; Tabor, D.P. ; Sibert, E.L.; Lee, Y.P. J. Mol. Spectrosc. 2015, 310, 57-67. Barckholtz, T. A.; Miller, T. A. Int. Revs. in Phys. Chem. 1998, 17, 435-524.

Numerical solution of the unsteady Navier-Stokes equation

NASA Technical Reports Server (NTRS)

Osher, Stanley J.; Engquist, Bjoern

1985-01-01

The construction and the analysis of nonoscillatory shock capturing methods for the approximation of hyperbolic conservation laws are discussed. These schemes share many desirable properties with total variation diminishing schemes, but TVD schemes have at most first-order accuracy, in the sense of truncation error, at extrema of the solution. In this paper a uniformly second-order approximation is constructed, which is nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time. This is achieved via a nonoscillatory piecewise linear reconstruction of the solution from its cell averages, time evolution through an approximate solution of the resulting initial value problem, and averaging of this approximate solution over each cell.

PROCESSES OF RECLAIMING URANIUM FROM SOLUTIONS

DOEpatents

Zumwalt, L.R.

1959-02-10

A process is described for reclaiming residual enriched uranium from calutron wash solutions containing Fe, Cr, Cu, Ni, and Mn as impurities. The solution is adjusted to a pH of between 2 and 4 and is contacted with a metallic reducing agent, such as iron or zinc, in order to reduce the copper to metal and thereby remove it from the solution. At the same time the uranium present is reduced to the uranous state The solution is then contacted with a precipitate of zinc hydroxide or barium carbonate in order to precipitate and carry uranium, iron, and chromium away from the nickel and manganese ions in the solution. The uranium is then recovered fronm this precipitate.

Classifying the hierarchy of nonlinear-Schrödinger-equation rogue-wave solutions.

PubMed

Kedziora, David J; Ankiewicz, Adrian; Akhmediev, Nail

2013-07-01

We present a systematic classification for higher-order rogue-wave solutions of the nonlinear Schrödinger equation, constructed as the nonlinear superposition of first-order breathers via the recursive Darboux transformation scheme. This hierarchy is subdivided into structures that exhibit varying degrees of radial symmetry, all arising from independent degrees of freedom associated with physical translations of component breathers. We reveal the general rules required to produce these fundamental patterns. Consequently, we are able to extrapolate the general shape for rogue-wave solutions beyond order 6, at which point accuracy limitations due to current standards of numerical generation become non-negligible. Furthermore, we indicate how a large set of irregular rogue-wave solutions can be produced by hybridizing these fundamental structures.

Saturated Monoglyceride Polymorphism and Gel Formation of Biodiesel Blends

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chupka, Gina; Fouts, Lisa; McCormick, Robert

Crystallization or gel formation of normal paraffins in diesel fuel under cold weather conditions leading to fuel filter clogging is a common problem. Cold weather operability of biodiesel (B100) and blends with diesel fuel presents additional complexity because of the presence of saturated monoglycerides (SMGs) and other relatively polar species. Currently, the cloud point measurement (a measure of when the first component crystallizes out of solution) is used to define the lowest temperature at which the fuel can be used without causing cold weather issues. While filter plugging issues have declined, there still remain intermittent unexpected problems above the cloudmore » point for biodiesel blends. Development of a fundamental understanding of how minor components in biodiesel crystallize, gel, and transform is needed in order to prevent these unexpected issues. We have found that SMGs, a low level impurity present in B100 from the production process, can crystallize out of solution and undergo a solvent-mediated polymorphic phase transformation to a more stable, less soluble form. This causes them to persist at temperatures above the cloud point once they have some out of solution. Additionally, we have found that SMGs can cause other more soluble, lower melting point minor components in the B100 to co-crystallize and come out of solution. Monoolein, another minor component from the production process is an unsaturated monoglyceride with a much lower melting point and higher solubility than SMGs. It is able to form a co-crystal with the SMGs and is found together with the SMGs on plugged filters we have analyzed in our laboratory. An observation of isolated crystals in the lab led us to believe that the SMGs may also be forming a gel-like network with components of the B100 and diesel fuel. During filtration experiments, we have noted that in some cases a solid layer of crystals forms and blocks the filter completely, while in other cases this does not occur. Because SMGs are polar and can form layered networks once a sufficient amount of crystals have come out of solution, we recently began investigating the ability of SMGs to form a gel network with fuel components as well as with other minor polar components in the fuel in order to obtain a fundamental understanding of the mechanism of formation. It has been well established that this type of phenomena occurs in sub-sea pipelines where a chief crystallizing component begins to crystallize out of solution. Once a sufficient amount of crystals exists, a volume spanning network of solid crystals can trap liquid crude oil and form a solid-like gel network. We are investigating whether this type of phenomena can occur with SMGs and both fatty acid methyl esters from the B100 and normal paraffins from diesel fuel. Additionally, SMGs are well known to incorporate water into their layered crystal structure. Water is often used to stabilize less stable polymorphic forms of SMGs, therefore water was another minor component of interest. Also of interest is glycerin which has been found on clogged filters in our laboratory.« less

National Computer Security Conference Proceedings (12th): Information Systems Security: Solutions for Today - Concepts for Tomorrow Held in Baltimore, Maryland on 10-13 October 1989

DTIC Science & Technology

1989-10-13

and other non -technical aspects of the system). System-wide Perspective. The systerm that is being designed and engineered must include not just the...specifications and is regarded as the lowest-level (implementation) of detail.-’ Ihis decomposition follows the typical "top down" design methodology ...formal verification process has contributed to the security and correctness of the TCB design and implementation. FORMUL METHODOLOGY DESCRIPTION The

Anomalous volume change of gramicidin A in ethanol solutions

NASA Technical Reports Server (NTRS)

Derechin, M.; Hayashi, D. M.; Jordan, B. E.

1975-01-01

Results of studies aimed at clarifying the failure of gramicidin A (GA) to sediment in early experiments are analyzed. In the present work, no sedimentation was observed in pure pentanol or ethanol, while normal sedimentation was observed in ethanol-water mixtures. It is concluded that GA exists in two conformations that differ in volume. Since the apparent specific volume in absolute ethanol sinks to its lowest values on increasing concentration, the GA molecule probably unfolds completely in conditions favorable for dimerization.

Colorimetric detection of copper ions in sub-micromolar concentrations using a triarylamine-linked resin bead.

PubMed

Thomas, Tony George; Sreenath, Kesavapillai; Gopidas, Karical R

2012-11-21

The triarylamine derivative ETPA reacts with Cu(2+) to give deeply colored, stable radical cations in acetonitrile solution. ETPA was immobilized on to a tentagel resin bead which was then used for the fabrication of a simple device capable of the colorimetric detection of submicromolar concentrations of Cu(2+) ions in water. The naked eye detection limit reported here for Cu(2+) is one of the lowest ever reported for small molecule sensors.

78 FR 29158 - In the Matter of Zion Solutions, LLC; Zion Nuclear Power Station, Units 1 and 2; Order Approving...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-17

... NUCLEAR REGULATORY COMMISSION [NRC-2013-0096; Docket Nos. 50-295 and 50-304; License Nos. DPR-39 and DPR-48] In the Matter of Zion Solutions, LLC; Zion Nuclear Power Station, Units 1 and 2; Order Approving Indirect Transfer of Control of Facility Operating Licenses I. ZionSolutions, LLC (ZS) is the...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolding, Simon R.; Cleveland, Mathew Allen; Morel, Jim E.

In this paper, we have implemented a new high-order low-order (HOLO) algorithm for solving thermal radiative transfer problems. The low-order (LO) system is based on the spatial and angular moments of the transport equation and a linear-discontinuous finite-element spatial representation, producing equations similar to the standard S 2 equations. The LO solver is fully implicit in time and efficiently resolves the nonlinear temperature dependence at each time step. The high-order (HO) solver utilizes exponentially convergent Monte Carlo (ECMC) to give a globally accurate solution for the angular intensity to a fixed-source pure-absorber transport problem. This global solution is used tomore » compute consistency terms, which require the HO and LO solutions to converge toward the same solution. The use of ECMC allows for the efficient reduction of statistical noise in the Monte Carlo solution, reducing inaccuracies introduced through the LO consistency terms. Finally, we compare results with an implicit Monte Carlo code for one-dimensional gray test problems and demonstrate the efficiency of ECMC over standard Monte Carlo in this HOLO algorithm.« less

Analytical and Numerical solutions of a nonlinear alcoholism model via variable-order fractional differential equations

NASA Astrophysics Data System (ADS)

Gómez-Aguilar, J. F.

2018-03-01

In this paper, we analyze an alcoholism model which involves the impact of Twitter via Liouville-Caputo and Atangana-Baleanu-Caputo fractional derivatives with constant- and variable-order. Two fractional mathematical models are considered, with and without delay. Special solutions using an iterative scheme via Laplace and Sumudu transform were obtained. We studied the uniqueness and existence of the solutions employing the fixed point postulate. The generalized model with variable-order was solved numerically via the Adams method and the Adams-Bashforth-Moulton scheme. Stability and convergence of the numerical solutions were presented in details. Numerical examples of the approximate solutions are provided to show that the numerical methods are computationally efficient. Therefore, by including both the fractional derivatives and finite time delays in the alcoholism model studied, we believe that we have established a more complete and more realistic indicator of alcoholism model and affect the spread of the drinking.

The convergence of the order sequence and the solution function sequence on fractional partial differential equation

NASA Astrophysics Data System (ADS)

Rusyaman, E.; Parmikanti, K.; Chaerani, D.; Asefan; Irianingsih, I.

2018-03-01

One of the application of fractional ordinary differential equation is related to the viscoelasticity, i.e., a correlation between the viscosity of fluids and the elasticity of solids. If the solution function develops into function with two or more variables, then its differential equation must be changed into fractional partial differential equation. As the preliminary study for two variables viscoelasticity problem, this paper discusses about convergence analysis of function sequence which is the solution of the homogenous fractional partial differential equation. The method used to solve the problem is Homotopy Analysis Method. The results show that if given two real number sequences (αn) and (βn) which converge to α and β respectively, then the solution function sequences of fractional partial differential equation with order (αn, βn) will also converge to the solution function of fractional partial differential equation with order (α, β).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Friberg, Ari T.; Visser, Taco D.; Wolf, Emil

A reciprocity inequality is derived, involving the effective size of a planar, secondary, Gaussian Schell-model source and the effective angular spread of the beam that the source generates. The analysis is shown to imply that a fully spatially coherent source of that class (which generates the lowest-order Hermite-Gaussian laser mode) has certain minimal properties. (c) 2000 Optical Society of America.

Infrared problem in non-Abelian gauge theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yao, Y.

1976-03-22

I extend the Bloch--Nordsieck idea to show that in the lowest nontrivial order of radiative correction the fermion--fermion and gauge-meson--fermion scattering rates are finite, provided that they are averaged over the initial and summed over the final internal spin states. Questions of the physical gauge coupling and infrared slavery are discussed. (AIP)

78 FR 52910 - Agency Information Collection Activities; Submission to the Office of Management and Budget for...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-27

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78 FR 37528 - Agency Information Collection Activities; Comment Request; Elementary and Secondary Improvement...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-21

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75 FR 12220 - Notice of Proposed Information Collection Requests

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2010-03-15

...) application for School Improvement Grants (SIG) authorized under section 1003(g) of Title I of the Elementary... must use to award ARRA and FY 2009 SIG funds to local educational agencies (LEAs). In awarding these... to their lowest-achieving schools eligible to receive services provided through SIG funds in order to...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Creutz, Michael

Using the Sigma model to explore the lowest order pseudo-scalar spectrum with SU(3) breaking, this talk considers an additional exact "taste" symmetry to mimic species doubling. Rooting replicas of a valid approach such as Wilson fermions reproduces the desired physical spectrum. In contrast, extra symmetries of the rooted staggered approach leave spurious states and a flavor dependent taste multiplicity.

Statistical properties of a filtered Poisson process with additive random noise: distributions, correlations and moment estimation

NASA Astrophysics Data System (ADS)

Theodorsen, A.; E Garcia, O.; Rypdal, M.

2017-05-01

Filtered Poisson processes are often used as reference models for intermittent fluctuations in physical systems. Such a process is here extended by adding a noise term, either as a purely additive term to the process or as a dynamical term in a stochastic differential equation. The lowest order moments, probability density function, auto-correlation function and power spectral density are derived and used to identify and compare the effects of the two different noise terms. Monte-Carlo studies of synthetic time series are used to investigate the accuracy of model parameter estimation and to identify methods for distinguishing the noise types. It is shown that the probability density function and the three lowest order moments provide accurate estimations of the model parameters, but are unable to separate the noise types. The auto-correlation function and the power spectral density also provide methods for estimating the model parameters, as well as being capable of identifying the noise type. The number of times the signal crosses a prescribed threshold level in the positive direction also promises to be able to differentiate the noise type.

Integrate-and-fire neurons driven by asymmetric dichotomous noise.

PubMed

Droste, Felix; Lindner, Benjamin

2014-12-01

We consider a general integrate-and-fire (IF) neuron driven by asymmetric dichotomous noise. In contrast to the Gaussian white noise usually used in the so-called diffusion approximation, this noise is colored, i.e., it exhibits temporal correlations. We give an analytical expression for the stationary voltage distribution of a neuron receiving such noise and derive recursive relations for the moments of the first passage time density, which allow us to calculate the firing rate and the coefficient of variation of interspike intervals. We study how correlations in the input affect the rate and regularity of firing under variation of the model's parameters for leaky and quadratic IF neurons. Further, we consider the limit of small correlation times and find lowest order corrections to the first passage time moments to be proportional to the square root of the correlation time. We show analytically that to this lowest order, correlations always lead to a decrease in firing rate for a leaky IF neuron. All theoretical expressions are compared to simulations of leaky and quadratic IF neurons.

Reduced-Density-Matrix Description of Decoherence and Relaxation Processes for Electron-Spin Systems

NASA Astrophysics Data System (ADS)

Jacobs, Verne

2017-04-01

Electron-spin systems are investigated using a reduced-density-matrix description. Applications of interest include trapped atomic systems in optical lattices, semiconductor quantum dots, and vacancy defect centers in solids. Complimentary time-domain (equation-of-motion) and frequency-domain (resolvent-operator) formulations are self-consistently developed. The general non-perturbative and non-Markovian formulations provide a fundamental framework for systematic evaluations of corrections to the standard Born (lowest-order-perturbation) and Markov (short-memory-time) approximations. Particular attention is given to decoherence and relaxation processes, as well as spectral-line broadening phenomena, that are induced by interactions with photons, phonons, nuclear spins, and external electric and magnetic fields. These processes are treated either as coherent interactions or as environmental interactions. The environmental interactions are incorporated by means of the general expressions derived for the time-domain and frequency-domain Liouville-space self-energy operators, for which the tetradic-matrix elements are explicitly evaluated in the diagonal-resolvent, lowest-order, and Markov (short-memory time) approximations. Work supported by the Office of Naval Research through the Basic Research Program at The Naval Research Laboratory.

N = 1 supercurrents of eleven-dimensional supergravity

NASA Astrophysics Data System (ADS)

Becker, Katrin; Becker, Melanie; Butter, Daniel; Linch, William D.

2018-05-01

Eleven-dimensional supergravity can be formulated in superspaces locally of the form X × Y where X is 4D N = 1 conformal superspace and Y is an arbitrary 7-manifold admitting a G 2-structure. The eleven-dimensional 3-form and the stable 3-form on Y define the lowest component of a gauge superfield on X × Y that is chiral as a superfield on X. This chiral field is part of a tensor hierarchy giving rise to a superspace Chern-Simons action and its real field strength defines a lifting of the Hitchin functional on Y to the G 2 superspace X × Y . These terms are those of lowest order in a superspace Noether expansion in seven N = 1 conformal gravitino superfields Ψ. In this paper, we compute the O(Ψ) action to all orders in the remaining fields. The eleven-dimensional origin of the resulting non-linear structures is parameterized by the choice of a complex spinor on Y encoding the off-shell 4D N = 1 subalgebra of the eleven-dimensional super-Poincaré algebra.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samec, R. G.; Melton, R. A.; Figg, E. R.

GSC 3355 0394 has an EB-type light curve, which is dominated by hot and cool spot activities. It displays night-to-night variations in light-curve shapes. The period study yields six new times of minimum light and the first precision ephemeris, HJD T{sub min}I = 2, 454, 408.9547 {+-} 0.0017 + 0.4621603 {+-} 0.0000008d*E. VR{sub c}I{sub c} standard magnitudes are presented. BVRI Wilson synthetic light-curve solutions are calculated for both a Mode 4 (V1010 Oph-type, semidetached, more massive component filling its Roche lobe) configuration and a Mode 3, contact configuration (fill-out 100% or critical contact). The critical contact is the lowest residualmore » solution. Four major spot regions are needed to model this binary, at least one is evidently a stream spot.« less

Stress corrosion cracking susceptibility of 18 Ni maraging steel

NASA Technical Reports Server (NTRS)

Humphries, T. S.; Nelson, E. E.

1974-01-01

The stress corrosion cracking (SCC) resistance of 18Ni maraging steel (grades 200, 250, 300, and 350) was determined in 3.5 percent salt (NaCl) solution, synthetic sea water, high humidity, and outside MSFC atmosphere. All grades of the maraging steel were found to be susceptible to SCC in varying degrees according to their strengths, with the lowest strength steel (grade 200) being the least susceptible and the highest strength steel (grade 350), the most susceptible to SCC. The SCC resistance of 250 grade maraging steel was also evaluated in salt and salt-chromate solutions using fracture mechanics techniques. The threshold value, K sub SCC, was found to be approximately 44 MN/sq m square root m, (40 ksi square root in.) or 40 percent of the K sub Q value.

Ordering kinetics in two-dimensional hexagonal pattern of cylinder-forming PS-b -PMMA block copolymer thin films: Dependence on the segregation strength

NASA Astrophysics Data System (ADS)

Seguini, Gabriele; Zanenga, Fabio; Laus, Michele; Perego, Michele

2018-05-01

This paper reports the experimental determination of the growth exponents and activation enthalpies for the ordering process of standing cylinder-forming all-organic polystyrene-block-poly (methyl methacrylate) block copolymer (BCP) thin films as a function of the BCP degree of polymerization (N). The maximum growth exponent of 1/3 is observed for the BCP with the lowest N at the border of the order-disorder transition. Both the growth exponents and the activation enthalpies exponentially decrease with the BCP segregation strength (χN) following the same path of the diffusivity.

Kinetic theory of coupled oscillators.

PubMed

Hildebrand, Eric J; Buice, Michael A; Chow, Carson C

2007-02-02

We present an approach for the description of fluctuations that are due to finite system size induced correlations in the Kuramoto model of coupled oscillators. We construct a hierarchy for the moments of the density of oscillators that is analogous to the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy in the kinetic theory of plasmas and gases. To calculate the lowest order system size effect, we truncate this hierarchy at second order and solve the resulting closed equations for the two-oscillator correlation function around the incoherent state. We use this correlation function to compute the fluctuations of the order parameter, including the effect of transients, and compare this computation with numerical simulations.

Black holes in vector-tensor theories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heisenberg, Lavinia; Kase, Ryotaro; Tsujikawa, Shinji

We study static and spherically symmetric black hole (BH) solutions in second-order generalized Proca theories with nonminimal vector field derivative couplings to the Ricci scalar, the Einstein tensor, and the double dual Riemann tensor. We find concrete Lagrangians which give rise to exact BH solutions by imposing two conditions of the two identical metric components and the constant norm of the vector field. These exact solutions are described by either Reissner-Nordström (RN), stealth Schwarzschild, or extremal RN solutions with a non-trivial longitudinal mode of the vector field. We then numerically construct BH solutions without imposing these conditions. For cubic andmore » quartic Lagrangians with power-law couplings which encompass vector Galileons as the specific cases, we show the existence of BH solutions with the difference between two non-trivial metric components. The quintic-order power-law couplings do not give rise to non-trivial BH solutions regular throughout the horizon exterior. The sixth-order and intrinsic vector-mode couplings can lead to BH solutions with a secondary hair. For all the solutions, the vector field is regular at least at the future or past horizon. The deviation from General Relativity induced by the Proca hair can be potentially tested by future measurements of gravitational waves in the nonlinear regime of gravity.« less

Active Solution Space and Search on Job-shop Scheduling Problem

NASA Astrophysics Data System (ADS)

Watanabe, Masato; Ida, Kenichi; Gen, Mitsuo

In this paper we propose a new searching method of Genetic Algorithm for Job-shop scheduling problem (JSP). The coding method that represent job number in order to decide a priority to arrange a job to Gannt Chart (called the ordinal representation with a priority) in JSP, an active schedule is created by using left shift. We define an active solution at first. It is solution which can create an active schedule without using left shift, and set of its defined an active solution space. Next, we propose an algorithm named Genetic Algorithm with active solution space search (GA-asol) which can create an active solution while solution is evaluated, in order to search the active solution space effectively. We applied it for some benchmark problems to compare with other method. The experimental results show good performance.

Dynamics of lumps and dark-dark solitons in the multi-component long-wave-short-wave resonance interaction system.

PubMed

Rao, Jiguang; Porsezian, Kuppuswamy; He, Jingsong; Kanna, Thambithurai

2018-01-01

General semi-rational solutions of an integrable multi-component (2+1)-dimensional long-wave-short-wave resonance interaction system comprising multiple short waves and a single long wave are obtained by employing the bilinear method. These solutions describe the interactions between various types of solutions, including line rogue waves, lumps, breathers and dark solitons. We only focus on the dynamical behaviours of the interactions between lumps and dark solitons in this paper. Our detailed study reveals two different types of excitation phenomena: fusion and fission. It is shown that the fundamental (simplest) semi-rational solutions can exhibit fission of a dark soliton into a lump and a dark soliton or fusion of one lump and one dark soliton into a dark soliton. The non-fundamental semi-rational solutions are further classified into three subclasses: higher-order, multi- and mixed-type semi-rational solutions. The higher-order semi-rational solutions show the process of annihilation (production) of two or more lumps into (from) one dark soliton. The multi-semi-rational solutions describe N ( N ≥2) lumps annihilating into or producing from N -dark solitons. The mixed-type semi-rational solutions are a hybrid of higher-order semi-rational solutions and multi-semi-rational solutions. For the mixed-type semi-rational solutions, we demonstrate an interesting dynamical behaviour that is characterized by partial suppression or creation of lumps from the dark solitons.

Dynamics of lumps and dark-dark solitons in the multi-component long-wave-short-wave resonance interaction system

NASA Astrophysics Data System (ADS)

Rao, Jiguang; Porsezian, Kuppuswamy; He, Jingsong; Kanna, Thambithurai

2018-01-01

General semi-rational solutions of an integrable multi-component (2+1)-dimensional long-wave-short-wave resonance interaction system comprising multiple short waves and a single long wave are obtained by employing the bilinear method. These solutions describe the interactions between various types of solutions, including line rogue waves, lumps, breathers and dark solitons. We only focus on the dynamical behaviours of the interactions between lumps and dark solitons in this paper. Our detailed study reveals two different types of excitation phenomena: fusion and fission. It is shown that the fundamental (simplest) semi-rational solutions can exhibit fission of a dark soliton into a lump and a dark soliton or fusion of one lump and one dark soliton into a dark soliton. The non-fundamental semi-rational solutions are further classified into three subclasses: higher-order, multi- and mixed-type semi-rational solutions. The higher-order semi-rational solutions show the process of annihilation (production) of two or more lumps into (from) one dark soliton. The multi-semi-rational solutions describe N(N≥2) lumps annihilating into or producing from N-dark solitons. The mixed-type semi-rational solutions are a hybrid of higher-order semi-rational solutions and multi-semi-rational solutions. For the mixed-type semi-rational solutions, we demonstrate an interesting dynamical behaviour that is characterized by partial suppression or creation of lumps from the dark solitons.

Phytoremediation of stable Cs from solutions by Calendula alata, Amaranthus chlorostachys and Chenopodium album.

PubMed

Moogouei, Roxana; Borghei, Mehdi; Arjmandi, Reza

2011-10-01

Uptake rate of (133)Cs, at three different concentrations of CsCl, by Calendula alata, Amaranthus chlorostachys and Chenopodium album plants grown outdoors was studied. These plants grow abundantly in semi-arid regions and their varieties exist in many parts of the world. When exposed to lowest Cs concentration 68 percent Cs was remediated by Chenopodium album.(133)Cs accumulation in shoots of Amaranthus chlorostachys reached its highest value of 2146.2 mg kg(-1) at a (133)Cs supply level of 3.95 mg l(-1) of feed solution. The highest concentration ratio value was 4.89 for Amaranthus chlorostachys, whereas for the other tests it ranged from 0.74 to 3.33. Furthermore uptake of (133)Cs by all three species increased with increasing metal concentrations. The results also indicated that hydroponically grown Calendula alata, Amaranthus chlorostachys and Chenopodium album could be used as potential candidate plants for phytoremediation of solutions contaminated with Cs. Copyright © 2011 Elsevier Inc. All rights reserved.

Serum protein adsorption and platelet adhesion on aspartic-acid-immobilized polysulfone membranes.

PubMed

Higuchi, Akon; Hashiba, Hirokazu; Hayashi, Rika; Yoon, Boo Ok; Sakurai, Masaru; Hara, Mariko

2004-01-01

Polysulfone (PSf) membranes that covalently conjugated with aspartic acid (ASP-PSf) were prepared and analyzed for hemocompatability. Compared to PSf or other types of surface-modified PSf membranes, the ASP-PSf membranes had a reduced ability to adsorb protein from either a plasma solution or a mixed solution of albumin, globulin and fibrinogen. This appears to be due to the creation of a hydrophilic surface by the aspartic acid zwitterion immobilized on the ASP-PSf membranes. Furthermore, the analyses of membrane protein adsorption showed that a mixed protein solution recapitulates the cooperative adsorption of proteins that occurs in plasma. We also found that the number of adhering platelets was the lowest on the ASP-PSf membranes and, in general, that platelet adhesion decreased in parallel with fibrinogen adsorption. In summary, aspartic acid immobilized on the ASP-PSf membranes, which have zwitterions with a net zero charge, effectively contributes to the hydrophilic and hemocompatible sites on the surface of the hydrophobic PSf membranes.

Silicon content design of CrSiN films for good anti-corrosion and anti-wear performances in NaOH solution

NASA Astrophysics Data System (ADS)

Wang, Haixin; Ye, Yuwei; Wang, Chunting; Zhang, Guangan; Liu, Wei

2018-06-01

The CrSiN films with different silicon contents were fabricated by medium frequency magnetron sputtering. The 304L stainless steel and Si (1 0 0) wafer were used for substrate specimens. Film plasticity, corrosion and tribological behaviors in 0.1 M NaOH solution were systematically investigated. Results show that the plasticity of CrN film could be improved by the addition of silicon. During the corrosion test, with the increase of silicon content, the corrosion current density exhibited a descending trend and impedance presented a rising trend. The COF and wear rate of as-prepared CrSiN film initially decreased and then increased as the silicon content increased. The CrSiN film with 12.7 at.% Si exhibited the lowest COF of 0.04 and a wear rate of 6.746  ×  10‑8 mm3 Nm‑1 in 0.1 M NaOH solution.

Two-Dimensional Ordering of Solute Nanoclusters at a Close-Packed Stacking Fault: Modeling and Experimental Analysis

PubMed Central

Kimizuka, Hajime; Kurokawa, Shu; Yamaguchi, Akihiro; Sakai, Akira; Ogata, Shigenobu

2014-01-01

Predicting the equilibrium ordered structures at internal interfaces, especially in the case of nanometer-scale chemical heterogeneities, is an ongoing challenge in materials science. In this study, we established an ab-initio coarse-grained modeling technique for describing the phase-like behavior of a close-packed stacking-fault-type interface containing solute nanoclusters, which undergo a two-dimensional disorder-order transition, depending on the temperature and composition. Notably, this approach can predict the two-dimensional medium-range ordering in the nanocluster arrays realized in Mg-based alloys, in a manner consistent with scanning tunneling microscopy-based measurements. We predicted that the repulsively interacting solute-cluster system undergoes a continuous evolution into a highly ordered densely packed morphology while maintaining a high degree of six-fold orientational order, which is attributable mainly to an entropic effect. The uncovered interaction-dependent ordering properties may be useful for the design of nanostructured materials utilizing the self-organization of two-dimensional nanocluster arrays in the close-packed interfaces. PMID:25471232

Hairy black hole solutions in U(1) gauge-invariant scalar-vector-tensor theories

NASA Astrophysics Data System (ADS)

Heisenberg, Lavinia; Tsujikawa, Shinji

2018-05-01

In U (1) gauge-invariant scalar-vector-tensor theories with second-order equations of motion, we study the properties of black holes (BH) on a static and spherically symmetric background. In shift-symmetric theories invariant under the shift of scalar ϕ → ϕ + c, we show the existence of new hairy BH solutions where a cubic-order scalar-vector interaction gives rise to a scalar hair manifesting itself around the event horizon. In the presence of a quartic-order interaction besides the cubic coupling, there are also regular BH solutions endowed with scalar and vector hairs.

Solution algorithms for the two-dimensional Euler equations on unstructured meshes

NASA Technical Reports Server (NTRS)

Whitaker, D. L.; Slack, David C.; Walters, Robert W.

1990-01-01

The objective of the study was to analyze implicit techniques employed in structured grid algorithms for solving two-dimensional Euler equations and extend them to unstructured solvers in order to accelerate convergence rates. A comparison is made between nine different algorithms for both first-order and second-order accurate solutions. Higher-order accuracy is achieved by using multidimensional monotone linear reconstruction procedures. The discussion is illustrated by results for flow over a transonic circular arc.

Successive phase transitions and kink solutions in Φ⁸, Φ¹⁰, and Φ¹² field theories

DOE PAGES

Khare, Avinash; Christov, Ivan C.; Saxena, Avadh

2014-08-27

We obtain exact solutions for kinks in Φ⁸, Φ¹⁰, and Φ¹² field theories with degenerate minima, which can describe a second-order phase transition followed by a first-order one, a succession of two first-order phase transitions and a second-order phase transition followed by two first-order phase transitions, respectively. Such phase transitions are known to occur in ferroelastic and ferroelectric crystals and in meson physics. In particular, we find that the higher-order field theories have kink solutions with algebraically-decaying tails and also asymmetric cases with mixed exponential-algebraic tail decay, unlike the lower-order Φ⁴ and Φ⁶ theories. Additionally, we construct distinct kinks withmore » equal energies in all three field theories considered, and we show the co-existence of up to three distinct kinks (for a Φ¹² potential with six degenerate minima). We also summarize phonon dispersion relations for these systems, showing that the higher-order field theories have specific cases in which only nonlinear phonons are allowed. For the Φ¹⁰ field theory, which is a quasi-exactly solvable (QES) model akin to Φ⁶, we are also able to obtain three analytical solutions for the classical free energy as well as the probability distribution function in the thermodynamic limit.« less

Awareness and using of medical students about mobile health technology in clinical areas.

PubMed

Ehteshami, Asghar; Hachesu, Peyman Rezaei; Esfahani, Mahtab Kasayi; Rezazadeh, Esmaeil

2013-01-01

NONE DECLARED. Necessity of data transmission and getting contact with specialists is so evident in impassable regions. In order to solve such problems, there are different solutions one of which is mobile health technology. Being small and user-friendly, easy to enter data and having low expense are some of its advantages. This study aims to define the association between awareness of medical students in clinical stage about mobile health technology application and the rate of their using this technology in educational hospital of Isfahan in 2011. The study is a cross-sectional analytical application research. Sixty medical students were selected as samples from a society of 240 medical students. A researcher-made questionnaire was used. The questionnaire included 21 multiple choice and 15 yes no questions, which were corrected to reach a score. A researcher-made checklist with 5-fold Likert scale was used to define the rate of applying such technology. The reliability of questionnaire was confirmed through a test-retest. The collected data were analyzed with the help of SPSS software in descriptive and deductive statistics level. The highest percentage of awareness about mobile health technology among medical students in the clinical stage of Azzahra educational hospital is 45.6 in nature areas, and their lowest percentage of awareness is 17.8 in the infrastructure area. In addition, their mean awareness of all areas is 54.4. The highest percentage of using mobile health technology by medical students is 14.6 in the education area, and their lowest percentage of usage is 6.8 in the treatment area. Their mean usage of all areas is 9.4 as well. The rate of awareness and application of mobile health technology is not favorable. Except for treatment, there is no significant association between the rate of awareness and application of mobile health technology.

Awareness and Using of Medical Students About Mobile Health Technology in Clinical Areas

PubMed Central

Ehteshami, Asghar; Hachesu, Peyman Rezaei; Esfahani, Mahtab Kasayi

2013-01-01

CONFLICT OF INTEREST: NONE DECLARED Introduction Necessity of data transmission and getting contact with specialists is so evident in impassable regions. In order to solve such problems, there are different solutions one of which is mobile health technology. Being small and user-friendly, easy to enter data and having low expense are some of its advantages. This study aims to define the association between awareness of medical students in clinical stage about mobile health technology application and the rate of their using this technology in educational hospital of Isfahan in 2011. Method The study is a cross-sectional analytical application research. Sixty medical students were selected as samples from a society of 240 medical students. A researcher-made questionnaire was used. The questionnaire included 21 multiple choice and 15 yes no questions, which were corrected to reach a score. A researcher-made checklist with 5-fold Likert scale was used to define the rate of applying such technology. The reliability of questionnaire was confirmed through a test–retest. The collected data were analyzed with the help of SPSS software in descriptive and deductive statistics level. Findings The highest percentage of awareness about mobile health technology among medical students in the clinical stage of Azzahra educational hospital is 45.6 in nature areas, and their lowest percentage of awareness is 17.8 in the infrastructure area. In addition, their mean awareness of all areas is 54.4. The highest percentage of using mobile health technology by medical students is 14.6 in the education area, and their lowest percentage of usage is 6.8 in the treatment area. Their mean usage of all areas is 9.4 as well. Conclusion The rate of awareness and application of mobile health technology is not favorable. Except for treatment, there is no significant association between the rate of awareness and application of mobile health technology. PMID:24058250

Quasivariational Solutions for First Order Quasilinear Equations with Gradient Constraint

NASA Astrophysics Data System (ADS)

Rodrigues, José Francisco; Santos, Lisa

2012-08-01

We prove the existence of solutions for a quasi-variational inequality of evolution with a first order quasilinear operator and a variable convex set which is characterized by a constraint on the absolute value of the gradient that depends on the solution itself. The only required assumption on the nonlinearity of this constraint is its continuity and positivity. The method relies on an appropriate parabolic regularization and suitable a priori estimates. We also obtain the existence of stationary solutions by studying the asymptotic behaviour in time. In the variational case, corresponding to a constraint independent of the solution, we also give uniqueness results.

Program VSAERO theory document: A computer program for calculating nonlinear aerodynamic characteristics of arbitrary configurations

NASA Technical Reports Server (NTRS)

Maskew, Brian

1987-01-01

The VSAERO low order panel method formulation is described for the calculation of subsonic aerodynamic characteristics of general configurations. The method is based on piecewise constant doublet and source singularities. Two forms of the internal Dirichlet boundary condition are discussed and the source distribution is determined by the external Neumann boundary condition. A number of basic test cases are examined. Calculations are compared with higher order solutions for a number of cases. It is demonstrated that for comparable density of control points where the boundary conditions are satisfied, the low order method gives comparable accuracy to the higher order solutions. It is also shown that problems associated with some earlier low order panel methods, e.g., leakage in internal flows and junctions and also poor trailing edge solutions, do not appear for the present method. Further, the application of the Kutta conditions is extremely simple; no extra equation or trailing edge velocity point is required. The method has very low computing costs and this has made it practical for application to nonlinear problems requiring iterative solutions for wake shape and surface boundary layer effects.

Periodic Solution and Stationary Distribution of Stochastic Predator-Prey Models with Higher-Order Perturbation

NASA Astrophysics Data System (ADS)

Liu, Qun; Jiang, Daqing

2018-04-01

In this paper, two stochastic predator-prey models with general functional response and higher-order perturbation are proposed and investigated. For the nonautonomous periodic case of the system, by using Khasminskii's theory of periodic solution, we show that the system admits a nontrivial positive T-periodic solution. For the system disturbed by both white and telegraph noises, sufficient conditions for positive recurrence and the existence of an ergodic stationary distribution to the solutions are established. The existence of stationary distribution implies stochastic weak stability to some extent.

Application of fractional derivative with exponential law to bi-fractional-order wave equation with frictional memory kernel

NASA Astrophysics Data System (ADS)

Cuahutenango-Barro, B.; Taneco-Hernández, M. A.; Gómez-Aguilar, J. F.

2017-12-01

Analytical solutions of the wave equation with bi-fractional-order and frictional memory kernel of Mittag-Leffler type are obtained via Caputo-Fabrizio fractional derivative in the Liouville-Caputo sense. Through the method of separation of variables and Laplace transform method we derive closed-form solutions and establish fundamental solutions. Special cases with homogeneous Dirichlet boundary conditions and nonhomogeneous initial conditions, as well as for the external force are considered. Numerical simulations of the special solutions were done and novel behaviors are obtained.

The electronic structure of vanadium monochloride cation (VCl{sup +}): Tackling the complexities of transition metal species

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeYonker, Nathan J., E-mail: ndyonker@memphis.edu; Halfen, DeWayne T.; Ziurys, Lucy M.

Six electronic states (X {sup 4}Σ{sup −}, A {sup 4}Π, B {sup 4}Δ, {sup 2}Φ, {sup 2}Δ, {sup 2}Σ{sup +}) of the vanadium monochloride cation (VCl{sup +}) are described using large basis set coupled cluster theory. For the two lowest quartet states (X {sup 4}Σ{sup −} and A {sup 4}Π), a focal point analysis (FPA) approach was used that conjoined a correlation-consistent family of basis sets up to aug-cc-pwCV5Z-DK with high-order coupled cluster theory through pentuple (CCSDTQP) excitations. FPA adiabatic excitation energies (T{sub 0}) and spectroscopic constants (r{sub e}, r{sub 0}, B{sub e}, B{sub 0}, D{sup ¯}{sub e}, H{sub e},more » ω{sub e}, v{sub 0}, α{sub e}, ω{sub e}x{sub e}) were extrapolated to the valence complete basis set Douglas-Kroll (DK) aug-cc-pV∞Z-DK CCSDT level of theory, and additional treatments accounted for higher-order valence electron correlation, core correlation, and spin-orbit coupling. Due to the delicate interplay between dynamical and static electronic correlation, single reference coupled cluster theory is able to provide the correct ground electronic state (X {sup 4}Σ{sup −}), while multireference configuration interaction theory cannot. Perturbations from the first- and second-order spin orbit coupling of low-lying states with quartet spin multiplicity reveal an immensely complex rotational spectrum relative to the isovalent species VO, VS, and TiCl. Computational data on the doublet manifold suggest that the lowest-lying doublet state ({sup 2}Γ) has a T{sub e} of ∼11 200 cm{sup −1}. Overall, this study shows that laboratory and theoretical rotational spectroscopists must work more closely in tandem to better understand the bonding and structure of molecules containing transition metals.« less

Order Batching in Warehouses by Minimizing Total Tardiness: A Hybrid Approach of Weighted Association Rule Mining and Genetic Algorithms

PubMed Central

Taheri, Shahrooz; Mat Saman, Muhamad Zameri; Wong, Kuan Yew

2013-01-01

One of the cost-intensive issues in managing warehouses is the order picking problem which deals with the retrieval of items from their storage locations in order to meet customer requests. Many solution approaches have been proposed in order to minimize traveling distance in the process of order picking. However, in practice, customer orders have to be completed by certain due dates in order to avoid tardiness which is neglected in most of the related scientific papers. Consequently, we proposed a novel solution approach in order to minimize tardiness which consists of four phases. First of all, weighted association rule mining has been used to calculate associations between orders with respect to their due date. Next, a batching model based on binary integer programming has been formulated to maximize the associations between orders within each batch. Subsequently, the order picking phase will come up which used a Genetic Algorithm integrated with the Traveling Salesman Problem in order to identify the most suitable travel path. Finally, the Genetic Algorithm has been applied for sequencing the constructed batches in order to minimize tardiness. Illustrative examples and comparisons are presented to demonstrate the proficiency and solution quality of the proposed approach. PMID:23864823

Order batching in warehouses by minimizing total tardiness: a hybrid approach of weighted association rule mining and genetic algorithms.

PubMed

Azadnia, Amir Hossein; Taheri, Shahrooz; Ghadimi, Pezhman; Saman, Muhamad Zameri Mat; Wong, Kuan Yew

2013-01-01

One of the cost-intensive issues in managing warehouses is the order picking problem which deals with the retrieval of items from their storage locations in order to meet customer requests. Many solution approaches have been proposed in order to minimize traveling distance in the process of order picking. However, in practice, customer orders have to be completed by certain due dates in order to avoid tardiness which is neglected in most of the related scientific papers. Consequently, we proposed a novel solution approach in order to minimize tardiness which consists of four phases. First of all, weighted association rule mining has been used to calculate associations between orders with respect to their due date. Next, a batching model based on binary integer programming has been formulated to maximize the associations between orders within each batch. Subsequently, the order picking phase will come up which used a Genetic Algorithm integrated with the Traveling Salesman Problem in order to identify the most suitable travel path. Finally, the Genetic Algorithm has been applied for sequencing the constructed batches in order to minimize tardiness. Illustrative examples and comparisons are presented to demonstrate the proficiency and solution quality of the proposed approach.

High-charge and multiple-star vortex coronagraphy from stacked vector vortex phase masks.

PubMed

Aleksanyan, Artur; Brasselet, Etienne

2018-02-01

Optical vortex phase masks are now installed at many ground-based large telescopes for high-contrast astronomical imaging. To date, such instrumental advances have been restricted to the use of helical phase masks of the lowest even order, while future giant telescopes will require high-order masks. Here we propose a single-stage on-axis scheme to create high-order vortex coronagraphs based on second-order vortex phase masks. By extending our approach to an off-axis design, we also explore the implementation of multiple-star vortex coronagraphy. An experimental laboratory demonstration is reported and supported by numerical simulations. These results offer a practical roadmap to the development of future coronagraphic tools with enhanced performances.

Long-range order in InAsSb

NASA Astrophysics Data System (ADS)

Jen, H. R.; Ma, K. Y.; Stringfellow, G. B.

1989-03-01

Results are presented of transmission electron diffraction (TED) observations, demonstrating, for the first time, a CuPt-type ordering in InAs(1-x)Sb(x) alloys, over a wide range of x values (from x = 0.22 to 0.88). The InAsSb alloys were prepared by OMVPE on (001) oriented undoped InSb or InAs substrates. The ordering-induced spots on the TED patterns show the highest intensity for x of about 0.5 and the lowest intensity toward each binary end compound. Only two of the four variants are formed during growth. In some areas, the degree of order for these two variants, 1/2(-1 1 1) and 1/2(1 -1 1), is equal, and in other areas, one variant dominates.

One-jet inclusive cross section at order a(s)-cubed - Gluons only

NASA Technical Reports Server (NTRS)

Ellis, Stephen D.; Kunszt, Zoltan; Soper, Davison E.

1989-01-01

A complete calculation of the hadron jet cross-section at one order beyond the Born approximation is performed for the simplified case in which there are only gluons. The general structure of the differences from the lowest-order cross-section are described. This step allows two important improvements in the understanding of the theoretical hadron jet cross-section: first, the cross section at this order displays explicit dependence on the jet cone size, so that explicit account can be taken of the differences in jet definitions employed by different experiments; second, the magnitude of the uncertainty of the theoretical cross-section due to the arbitrary choice of the factorization scale has been reduced by a factor of two to three.

Breather-to-soliton transformation rules in the hierarchy of nonlinear Schrödinger equations.

PubMed

Chowdury, Amdad; Krolikowski, Wieslaw

2017-06-01

We study the exact first-order soliton and breather solutions of the integrable nonlinear Schrödinger equations hierarchy up to fifth order. We reveal the underlying physical mechanism which transforms a breather into a soliton. Furthermore, we show how the dynamics of the Akhmediev breathers which exist on a constant background as a result of modulation instability, is connected with solitons on a zero background. We also demonstrate that, while a first-order rogue wave can be directly transformed into a soliton, higher-order rogue wave solutions become rational two-soliton solutions with complex collisional structure on a background. Our results will have practical implications in supercontinuum generation, turbulence, and similar other complex nonlinear scenarios.

Moment stability for a predator-prey model with parametric dichotomous noises

NASA Astrophysics Data System (ADS)

Jin, Yan-Fei

2015-06-01

In this paper, we investigate the solution moment stability for a Harrison-type predator-prey model with parametric dichotomous noises. Using the Shapiro-Loginov formula, the equations for the first-order and second-order moments are obtained and the corresponding stable conditions are given. It is found that the solution moment stability depends on the noise intensity and correlation time of noise. The first-order and second-order moments become unstable with the decrease of correlation time. That is, the dichotomous noise can improve the solution moment stability with respect to Gaussian white noise. Finally, some numerical results are presented to verify the theoretical analyses. Project supported by the National Natural Science Foundation of China (Grant No. 11272051).

Rational Solutions and Lump Solutions of the Potential YTSF Equation

NASA Astrophysics Data System (ADS)

Sun, Hong-Qian; Chen, Ai-Hua

2017-07-01

By using of the bilinear form, rational solutions and lump solutions of the potential Yu-Toda-Sasa-Fukuyama (YTSF) equation are derived. Dynamics of the fundamental lump solution, n1-order lump solutions, and N-lump solutions are studied for some special cases. We also find some interaction behaviours of solitary waves and one lump of rational solutions.