The Future Labor Force and Workplace and the Scientific and Engineering Workforce: Implications for Society and Business and Potential Solutions.

ERIC Educational Resources Information Center

Lightle, Juliana

This report examines the future shortages of scientists and engineers and suggests potential solutions to the shortage. The first section presents general demographic data and trends and interprets what this information suggests for the future economy and business in general. The second section considers the supply of physical scientists and…

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.

Solutions to the 1d Klein Gordon equation with cut-off Coulomb potentials

NASA Astrophysics Data System (ADS)

Hall, Richard L.

2007-12-01

In a recent paper by Barton [G. Barton, J. Phys. A: Math. Gen. 40 (2007) 1011], the 1-dimensional Klein Gordon equation was solved analytically for the non-singular Coulomb-like potential V(|x|)=-α/(|x|+a). In the present Letter, these results are completely confirmed by a numerical formulation that also allows a solution for an alternative cut-off Coulomb potential V(|x|)=-α/|x|, |x|>a, and otherwise V(|x|)=-α/a.

Standing electromagnetic solitons in hot ultra-relativistic electron-positron plasmas

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

Heidari, E., E-mail: ehphys75@iaubushehr.ac.ir; Aslaninejad, M.; Eshraghi, H.

2014-03-15

Using a one-dimensional self-consistent fluid model, we investigate standing relativistic bright solitons in hot electron-positron plasmas. The positron dynamics is taken into account. A set of nonlinear coupled differential equations describing the evolution of electromagnetic waves in fully relativistic two-fluid plasma is derived analytically and solved numerically. As a necessary condition for the existence of standing solitons the system should be relativistic. For the case of ultra-relativistic plasma, we investigate non-drifting bright solitary waves. Detailed discussions of the acceptable solutions are presented. New single hump non-trivial symmetric solutions for the scalar potential were found, and single and multi-nodal symmetric andmore » anti-symmetric solutions for the vector potential are presented. It is shown that for a fixed value of the fluid velocity excited modes with more zeros in the profile of the vector potential show a higher magnitude for the scalar potential. An increase in the plasma fluid velocity also increases the magnitude of the scalar potential. Furthermore, the Hamiltonian and the first integral of the system are given.« less

Numerical solution of the full potential equation using a chimera grid approach

NASA Technical Reports Server (NTRS)

Holst, Terry L.

1995-01-01

A numerical scheme utilizing a chimera zonal grid approach for solving the full potential equation in two spatial dimensions is described. Within each grid zone a fully-implicit approximate factorization scheme is used to advance the solution one interaction. This is followed by the explicit advance of all common zonal grid boundaries using a bilinear interpolation of the velocity potential. The presentation is highlighted with numerical results simulating the flow about a two-dimensional, nonlifting, circular cylinder. For this problem, the flow domain is divided into two parts: an inner portion covered by a polar grid and an outer portion covered by a Cartesian grid. Both incompressible and compressible (transonic) flow solutions are included. Comparisons made with an analytic solution as well as single grid results indicate that the chimera zonal grid approach is a viable technique for solving the full potential equation.

Solute diffusion in liquid metals

NASA Technical Reports Server (NTRS)

Bhat, B. N.

1973-01-01

A gas model of diffusion in liquid metals is presented. In this model, ions of liquid metals are assumed to behave like the molecules in a dense gas. Diffusion coefficient of solute is discussed with reference to its mass, ionic size, and pair potential. The model is applied to the case of solute diffusion in liquid silver. An attempt was made to predict diffusion coefficients of solutes with reasonable accuracy.

Simulation of flux during electro-membrane extraction based on the Nernst-Planck equation.

PubMed

Gjelstad, Astrid; Rasmussen, Knut Einar; Pedersen-Bjergaard, Stig

2007-12-07

The present work has for the first time described and verified a theoretical model of the analytical extraction process electro-membrane extraction (EME), where target analytes are extracted from an aqueous sample, through a thin layer of 2-nitrophenyl octylether immobilized as a supported liquid membrane (SLM) in the pores in the wall of a porous hollow fibre, and into an acceptor solution present inside the lumen of the hollow fibre by the application of an electrical potential difference. The mathematical model was based on the Nernst-Planck equation, and described the flux over the SLM. The model demonstrated that the magnitude of the electrical potential difference, the ion balance of the system, and the absolute temperature influenced the flux of analyte across the SLM. These conclusions were verified by experimental data with five basic drugs. The flux was strongly dependent of the potential difference over the SLM, and increased potential difference resulted in an increase in the flux. The ion balance, defined as the sum of ions in the donor solution divided by the sum of ions in the acceptor solution, was shown to influence the flux, and high ionic concentration in the acceptor solution relative to the sample solution was advantageous for high flux. Different temperatures also led to changes in the flux in the EME system.

Some remarks concerning the centrifugal term approximation

NASA Astrophysics Data System (ADS)

Ferreira, F. J. S.; Bezerra, V. B.

2017-10-01

We generalize the Pekeris approximation for the centrifugal term potential, l/(l +1 ) r2 , and use this to obtain the solutions of the radial Schrödinger equation for the arbitrary angular quantum number, l, of the Hulthén potential. We also obtain the expressions for the bound state energies corresponding to this potential and calculate their values for different states and compare with other results presented in the literature. We also consider some models of physical potentials, namely, the Eckart potential, the Poschl-Teller potentials, the Rosen-Morse potential, the Woods-Saxon potential, and the Manning-Rosen potential. Thus, following straightforward the example corresponding to the Hulthén potential, we show what the radial solutions and the energy spectra for these potentials are.

Interactive boundary-layer calculations of a transonic wing flow

NASA Technical Reports Server (NTRS)

Kaups, Kalle; Cebeci, Tuncer; Mehta, Unmeel

1989-01-01

Results obtained from iterative solutions of inviscid and boundary-layer equations are presented and compared with experimental values. The calculated results were obtained with an Euler code and a transonic potential code in order to furnish solutions for the inviscid flow; they were interacted with solutions of two-dimensional boundary-layer equations having a strip-theory approximation. Euler code results are found to be in better agreement with the experimental data than with the full potential code, especially in the presence of shock waves, (with the sole exception of the near-tip region).

Investigations of dark, bright, combined dark-bright optical and other soliton solutions in the complex cubic nonlinear Schrödinger equation with δ-potential

NASA Astrophysics Data System (ADS)

Baskonus, Haci Mehmet; Sulaiman, Tukur Abdulkadir; Bulut, Hasan; Aktürk, Tolga

2018-03-01

In this study, using the extended sinh-Gordon equation expansion method, we construct the dark, bright, combined dark-bright optical, singular, combined singular solitons and singular periodic waves solutions to the complex cubic nonlinear Schrödinger equation with δ-potential. The conditions for the existence of the obtained solutions are given. To present the physical feature of the acquired result, the 2D and 3D graphs are plotted under the choice of suitable values of the parameters.

A dual potential formulation of the Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Gegg, S. G.; Pletcher, R. H.; Steger, J. L.

1989-01-01

A dual potential formulation for numerically solving the Navier-Stokes equations is developed and presented. The velocity field is decomposed using a scalar and vector potential. Vorticity and dilatation are used as the dependent variables in the momentum equations. Test cases in two dimensions verify the capability to solve flows using approximations from potential flow to full Navier-Stokes simulations. A three-dimensional incompressible flow formulation is also described. An interesting feature of this approach to solving the Navier-Stokes equations is the decomposition of the velocity field into a rotational part (vector potential) and an irrotational part (scalar potential). The Helmholtz decomposition theorem allows this splitting of the velocity field. This approach has had only limited use since it increases the number of dependent variables in the solution. However, it has often been used for incompressible flows where the solution scheme is known to be fast and accurate. This research extends the usage of this method to fully compressible Navier-Stokes simulations by using the dilatation variable along with vorticity. A time-accurate, iterative algorithm is used for the uncoupled solution of the governing equations. Several levels of flow approximation are available within the framework of this method. Potential flow, Euler and full Navier-Stokes solutions are possible using the dual potential formulation. Solution efficiency can be enhanced in a straightforward way. For some flows, the vorticity and/or dilatation may be negligible in certain regions (e.g., far from a viscous boundary in an external flow). It is possible to drop the calculation of these variables then and optimize the solution speed. Also, efficient Poisson solvers are available for the potentials. The relative merits of non-primitive variables versus primitive variables for solution of the Navier-Stokes equations are also discussed.

Accuracy of analytic energy level formulas applied to hadronic spectroscopy of heavy mesons

NASA Technical Reports Server (NTRS)

Badavi, Forooz F.; Norbury, John W.; Wilson, John W.; Townsend, Lawrence W.

1988-01-01

Linear and harmonic potential models are used in the nonrelativistic Schroedinger equation to obtain article mass spectra for mesons as bound states of quarks. The main emphasis is on the linear potential where exact solutions of the S-state eigenvalues and eigenfunctions and the asymptotic solution for the higher order partial wave are obtained. A study of the accuracy of two analytical energy level formulas as applied to heavy mesons is also included. Cornwall's formula is found to be particularly accurate and useful as a predictor of heavy quarkonium states. Exact solution for all partial waves of eigenvalues and eigenfunctions for a harmonic potential is also obtained and compared with the calculated discrete spectra of the linear potential. Detailed derivations of the eigenvalues and eigenfunctions of the linear and harmonic potentials are presented in appendixes.

Environmental Hazards of Nuclear Wastes

ERIC Educational Resources Information Center

Micklin, Philip P.

1974-01-01

Present methods for storage of radioactive wastes produced at nuclear power facilities are described. Problems arising from present waste management are discussed and potential solutions explored. (JP)

Further investigation of a finite difference procedure for analyzing the transonic flow about harmonically oscillating airfoils and wings

NASA Technical Reports Server (NTRS)

Weatherill, W. H.; Ehlers, F. E.; Yip, E.; Sebastian, J. D.

1980-01-01

Analytical and empirical studies of a finite difference method for the solution of the transonic flow about harmonically oscillating wings and airfoils are presented. The procedure is based on separating the velocity potential into steady and unsteady parts and linearizing the resulting unsteady equations for small disturbances. The steady velocity potential is obtained first from the well-known nonlinear equation for steady transonic flow. The unsteady velocity potential is then obtained from a linear differential equation in complex form with spatially varying coefficients. Since sinusoidal motion is assumed, the unsteady equation is independent of time. An out-of-core direct solution procedure was developed and applied to two-dimensional sections. Results are presented for a section of vanishing thickness in subsonic flow and an NACA 64A006 airfoil in supersonic flow. Good correlation is obtained in the first case at values of Mach number and reduced frequency of direct interest in flutter analyses. Reasonable results are obtained in the second case. Comparisons of two-dimensional finite difference solutions with exact analytic solutions indicate that the accuracy of the difference solution is dependent on the boundary conditions used on the outer boundaries. Homogeneous boundary conditions on the mesh edges that yield complex eigenvalues give the most accurate finite difference solutions. The plane outgoing wave boundary conditions meet these requirements.

Partnering for A Solution: A Case Study

NASA Technical Reports Server (NTRS)

Jimenez-Smith, Deyrah

2003-01-01

A material-related issue has been identified, which has the potential of impacting the Space Program. Although "in-house" efforts have been underway to solve the problem, a solution has not yet been reached. This presentation shows how a GIDEP member organization is using a Problem Advisory as a solution approach in an effort to receive information from other industry and/or government organizations that may contribute in finding a solution.

Intermediate accelerated solutions as generic late-time attractors in a modified Jordan-Brans-Dicke theory

NASA Astrophysics Data System (ADS)

Cid, Antonella; Leon, Genly; Leyva, Yoelsy

2016-02-01

In this paper we investigate the evolution of a Jordan-Brans-Dicke scalar field, Φ, with a power-law potential in the presence of a second scalar field, phi, with an exponential potential, in both the Jordan and the Einstein frames. We present the relation of our model with the induced gravity model with power-law potential and the integrability of this kind of models is discussed when the quintessence field phi is massless, and has a small velocity. The fact that for some fine-tuned values of the parameters we may get some integrable cosmological models, makes our choice of potentials very interesting. We prove that in Jordan-Brans-Dicke theory, the de Sitter solution is not a natural attractor. Instead, we show that the attractor in the Jordan frame corresponds to an ``intermediate accelerated'' solution of the form a(t) simeq eα1 tp1, as t → ∞ where α1 > 0 and 0 < p1 < 1, for a wide range of parameters. Furthermore, when we work in the Einstein frame we get that the attractor is also an ``intermediate accelerated'' solution of the form fraktur a(fraktur t) simeq eα2 fraktur tp2 as fraktur t → ∞ where α2 > 0 and 0

Intravenous Solutions for Exploration Missions

NASA Technical Reports Server (NTRS)

Miller, Fletcher J.; Niederhaus, Charles; Barlow, Karen; Griffin, DeVon

2007-01-01

This paper describes the intravenous (IV) fluids requirements being developed for medical care during NASA s future exploration class missions. Previous research on IV solution generation and mixing in space is summarized. The current exploration baseline mission profiles are introduced, potential medical conditions described and evaluated for fluidic needs, and operational issues assessed. We briefly introduce potential methods for generating IV fluids in microgravity. Conclusions on the recommended fluid volume requirements are presented.

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.

Proceedings of the Toronto TEAM/ACES workshop

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

Turner, L.R.

The third TEAM Workshop of the third round was held at Ontario Hydro in Toronto 25--26 October 1990, immediately following the Conference on Electromagnetic Field Computation. This was the first Joint Workshop with ACES (Applied Computational Electromagnetics Society), whose goals are similar to TEAM, but who tend to work at higher frequencies (Antennas, Propagation, and Scattering). A fusion problem, the eddy current heating of the case of the Euratom Large Coil Project Coil, was adapted as Problem 14 at the Oxford Workshop, and a solution to that problem was presented at Toronto by Oskar Biro of the Graz (Austria) Universitymore » of Technology. Individual solutions were also presented for Problems 8 (Flaw in a Plate) and 9 (Moving Coil inside a Pipe). Five new solutions were presented to Problem 13 (DC Coil in a Ferromagnetic Yoke), and Koji Fujiwara of Okayama University summarized these solutions along with the similar number presented at Oxford. The solutions agreed well in the air but disagreed in the steel. Codes with a formulation in magnetic field strength or scalar potential underestimated the flux density in the steel, and codes based on flux density or vector potential overestimated it. Codes with edge elements appeared to do better than codes with nodal elements. These results stimulated considerable discussions; in my view that was the most valuable result of the workshop.« less

A theoretical method for the analysis and design of axisymmetric bodies. [flow distribution and incompressible fluids

NASA Technical Reports Server (NTRS)

Beatty, T. D.

1975-01-01

A theoretical method is presented for the computation of the flow field about an axisymmetric body operating in a viscous, incompressible fluid. A potential flow method was used to determine the inviscid flow field and to yield the boundary conditions for the boundary layer solutions. Boundary layer effects in the forces of displacement thickness and empirically modeled separation streamlines are accounted for in subsequent potential flow solutions. This procedure is repeated until the solutions converge. An empirical method was used to determine base drag allowing configuration drag to be computed.

Removal of toxic metals and nonmetals from contaminated water.

PubMed

Bartzatt, R; Cano, M; Johnson, L; Nagel, D

1992-04-01

The effects of the application of potassium ferrate to remove possible toxic compounds are presented. Potassium ferrate (K2FeO4) is shown in this work to be an effective means to remove toxic metals and nonmetals from aqueous solution. The toxic material present in water is precipitated from aqueous solution and readily removed. Potassium ferrate removes itself from solution. Discolored contaminated water may be made clear by utilizing potassium ferrate. In addition, turbidities of solutions induced by dissolved substances are eliminated by the action of potassium ferrate. The efficacy of potassium ferrate in cleaning contaminated water shows great potential in application to municipal and industrial waste water.

Electrochemical behavior and pH stability of artificial salivas for corrosion tests.

PubMed

Queiroz, Gláucia Maria Oliveira de; Silva, Leandro Freitas; Ferreira, José Tarcísio Lima; Gomes, José Antônio da Cunha P; Sathler, Lúcio

2007-01-01

It is assumed that the compositions of artificial salivas are similar to that of human saliva. However, the use of solutions with different compositions in in vitro corrosion studies can lead dissimilar electrolytes to exhibit dissimilar corrosivity and electrochemical stability. This study evaluated four artificial salivas as regards pH stability with time, redox potentials and the polarization response of an inert platinum electrode. The tested solutions were: SAGF medium, Mondelli artificial saliva, UFRJ artificial saliva (prepared at the School of Pharmacy, Federal University of Rio de Janeiro, RJ, Brazil) and USP-RP artificial saliva (prepared at the School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, SP, Brazil). It was observed that pH variations were less than 1 unit during a 50-hour test. The SAGF medium, and the UFRJ and USP-RP solutions exhibited more oxidizing characteristics, whereas the Mondelli solution presented reducing properties. Anodic polarization revealed oxidation of the evaluated electrolytes at potentials below +600 mV SCE. It was observed that the UFRJ and USP-RP solutions presented more intense oxidation and reduction processes as compared to the Mondelli and SAGF solutions.

Retrofitting solutions for two different occupancy levels of educational buildings in tropics

NASA Astrophysics Data System (ADS)

Yang, Junjing; Pantazaras, Alexandros; Lee, Siew Eang; Santamouris, Mattheos

2018-01-01

Within the multi-functionality of educational buildings, the energy conservation potential can be very different. In addition, among different retrofitting solutions investigated involving interventions on the building envelope, ventilation strategies, artificial lighting systems as well as equipment upgrading, different saving potential would come from different aspects. The opportunities for energy saving potential from the overall point of view and from the detailed aspect view of different retrofitting solutions would be very useful and important for building renovation decision making. This study presents a detailed retrofitting study of two different educational buildings. One represents a building with average occupancy variation and containing mainly offices and labs. The other one represents a building with high occupancy variation and containing mainly lecture rooms and studios. This comparison of the results gives an idea of the different energy saving potential for different types of educational buildings. Principal component analysis is also adopted to investigate the detailed performance of one of the buildings which is influenced stronger by these retrofitting solutions.

A Future with Hybrid Electric Propulsion Systems: A NASA Perspective

NASA Technical Reports Server (NTRS)

DelRosario, Ruben

2014-01-01

The presentation highlights a NASA perspective on Hybrid Electric Propulsion Systems for aeronautical applications. Discussed are results from NASA Advance Concepts Study for Aircraft Entering service in 2030 and beyond and the potential use of hybrid electric propulsion systems as a potential solution to the requirements for energy efficiency and environmental compatibility. Current progress and notional potential NASA research plans are presented.

An evidence-based solution for minimizing stress and anger in nursing students.

PubMed

Shirey, Maria R

2007-12-01

Manifestations of stress and anger are becoming more evident in society. Anger, an emotion associated with stress, often affects other aspects of everyday life, including the workplace and the educational setting. Stress and irrational anger in nursing students presents a potential teaching-learning problem that requires innovative evidence-based solutions. In this article, anger in nursing students is discussed, and background information on the topic is provided. Common sources and manifestations of anger in nursing students are presented, and one evidence-based solution--mindfulness-based-stress reduction--is discussed.

Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute.

PubMed

Bansal, Artee; Chapman, Walter G; Asthagiri, D

2017-09-28

We derive an expression for the chemical potential of an associating solute in a solvent relative to the value in a reference fluid using the quasichemical organization of the potential distribution theorem. The fraction of times the solute is not associated with the solvent, the monomer fraction, is expressed in terms of (a) the statistics of occupancy of the solvent around the solute in the reference fluid and (b) the Widom factors that arise because of turning on solute-solvent association. Assuming pair-additivity, we expand the Widom factor into a product of Mayer f-functions and the resulting expression is rearranged to reveal a form of the monomer fraction that is analogous to that used within the statistical associating fluid theory (SAFT). The present formulation avoids all graph-theoretic arguments and provides a fresh, more intuitive, perspective on Wertheim's theory and SAFT. Importantly, multi-body effects are transparently incorporated into the very foundations of the theory. We illustrate the generality of the present approach by considering examples of multiple solvent association to a colloid solute with bonding domains that range from a small patch on the sphere to a Janus particle to a solute whose entire surface is available for association.

Quasichemical theory and the description of associating fluids relative to a reference: Multiple bonding of a single site solute

NASA Astrophysics Data System (ADS)

Bansal, Artee; Chapman, Walter G.; Asthagiri, D.

2017-09-01

We derive an expression for the chemical potential of an associating solute in a solvent relative to the value in a reference fluid using the quasichemical organization of the potential distribution theorem. The fraction of times the solute is not associated with the solvent, the monomer fraction, is expressed in terms of (a) the statistics of occupancy of the solvent around the solute in the reference fluid and (b) the Widom factors that arise because of turning on solute-solvent association. Assuming pair-additivity, we expand the Widom factor into a product of Mayer f-functions and the resulting expression is rearranged to reveal a form of the monomer fraction that is analogous to that used within the statistical associating fluid theory (SAFT). The present formulation avoids all graph-theoretic arguments and provides a fresh, more intuitive, perspective on Wertheim's theory and SAFT. Importantly, multi-body effects are transparently incorporated into the very foundations of the theory. We illustrate the generality of the present approach by considering examples of multiple solvent association to a colloid solute with bonding domains that range from a small patch on the sphere to a Janus particle to a solute whose entire surface is available for association.

Displacement potential solution of a guided deep beam of composite materials under symmetric three-point bending

NASA Astrophysics Data System (ADS)

Rahman, M. Muzibur; Ahmad, S. Reaz

2017-12-01

An analytical investigation of elastic fields for a guided deep beam of orthotropic composite material having three point symmetric bending is carried out using displacement potential boundary modeling approach. Here, the formulation is developed as a single function of space variables defined in terms of displacement components, which has to satisfy the mixed type of boundary conditions. The relevant displacement and stress components are derived into infinite series using Fourier integral along with suitable polynomials coincided with boundary conditions. The results are presented mainly in the form of graphs and verified with finite element solutions using ANSYS. This study shows that the analytical and numerical solutions are in good agreement and thus enhances reliability of the displacement potential approach.

Isothermal magnetostatic atmospheres. II - Similarity solutions with current proportional to the magnetic potential cubed

NASA Technical Reports Server (NTRS)

Webb, G. M.

1988-01-01

The paper presents a family of isothermal magnetostatic atmospheres with one ignorable coordinate corresponding to a uniform gravitational field in a plane geometry. The distributed current in the model J is directed along the x-axis, where x is the horizontal ignorable coordinate. The current J is taken to be proportional to the cube of the magnetostatic potential A and falls off exponentially with distance vertical to the base with an e-folding distance equal to the gravitational scale height. A range of similarity solution examples are displayed depending on the values of the similarity parameters. Each similarity parameter corresponds to a symmetry of the underlying nonlinear elliptic equation for A. The similarity parameters also determine the source currents for the potential field solution of the family. The solutions show the interplay between the gravitational force, the J & B force (B, magnetic field induction) and the gas pressure gradient.

Unified semiclassical theory for the two-state system: an analytical solution for general nonadiabatic tunneling.

PubMed

Zhu, Chaoyuan; Lin, Sheng Hsien

2006-07-28

Unified semiclasical solution for general nonadiabatic tunneling between two adiabatic potential energy surfaces is established by employing unified semiclassical solution for pure nonadiabatic transition [C. Zhu, J. Chem. Phys. 105, 4159 (1996)] with the certain symmetry transformation. This symmetry comes from a detailed analysis of the reduced scattering matrix for Landau-Zener type of crossing as a special case of nonadiabatic transition and nonadiabatic tunneling. Traditional classification of crossing and noncrossing types of nonadiabatic transition can be quantitatively defined by the rotation angle of adiabatic-to-diabatic transformation, and this rotational angle enters the analytical solution for general nonadiabatic tunneling. The certain two-state exponential potential models are employed for numerical tests, and the calculations from the present general nonadiabatic tunneling formula are demonstrated in very good agreement with the results from exact quantum mechanical calculations. The present general nonadiabatic tunneling formula can be incorporated with various mixed quantum-classical methods for modeling electronically nonadiabatic processes in photochemistry.

On locally and nonlocally related potential systems

NASA Astrophysics Data System (ADS)

Cheviakov, Alexei F.; Bluman, George W.

2010-07-01

For any partial differential equation (PDE) system, a local conservation law yields potential equations in terms of some potential variable, which normally is a nonlocal variable. The current paper examines situations when such a potential variable is a local variable, i.e., is a function of the independent and dependent variables of a given PDE system, and their derivatives. In the case of two independent variables, a simple necessary and sufficient condition is presented for the locality of such a potential variable, and this is illustrated by several examples. As a particular example, two-dimensional reductions of equilibrium equations for fluid and plasma dynamics are considered. It is shown that such reductions with respect to helical, axial, and translational symmetries have conservation laws which yield local potential variables. This leads to showing that the well-known Johnson-Frieman-Kruskal-Oberman (JFKO) and Bragg-Hawthorne (Grad-Shafranov) equations are locally related to the corresponding helically and axially symmetric PDE systems of fluid/plasma dynamics. For the axially symmetric case, local symmetry classifications and arising invariant solutions are compared for the original PDE system and the Bragg-Hawthorne (potential) equation. The potential equation is shown to have additional symmetries, denoted as restricted symmetries. Restricted symmetries leave invariant a family of solutions of a given PDE system but not the whole solution manifold, and hence are not symmetries of the given PDE system. Corresponding reductions are shown to yield solutions, which are not obtained as invariant solutions from local symmetry reduction.

Linear Augmentation for Stabilizing Stationary Solutions: Potential Pitfalls and Their Application

PubMed Central

Karnatak, Rajat

2015-01-01

Linear augmentation has recently been shown to be effective in targeting desired stationary solutions, suppressing bistablity, in regulating the dynamics of drive response systems and in controlling the dynamics of hidden attractors. The simplicity of the procedure is the main highlight of this scheme but questions related to its general applicability still need to be addressed. Focusing on the issue of targeting stationary solutions, this work demonstrates instances where the scheme fails to stabilize the required solutions and leads to other complicated dynamical scenarios. Examples from conservative as well as dissipative systems are presented in this regard and important applications in dissipative predator—prey systems are discussed, which include preventative measures to avoid potentially catastrophic dynamical transitions in these systems. PMID:26544879

Controllable excitation of higher-order rogue waves in nonautonomous systems with both varying linear and harmonic external potentials

NASA Astrophysics Data System (ADS)

Jia, Heping; Yang, Rongcao; Tian, Jinping; Zhang, Wenmei

2018-05-01

The nonautonomous nonlinear Schrödinger (NLS) equation with both varying linear and harmonic external potentials is investigated and the semirational rogue wave (RW) solution is presented by similarity transformation. Based on the solution, the interactions between Peregrine soliton and breathers, and the controllability of the semirational RWs in periodic distribution and exponential decreasing nonautonomous systems with both linear and harmonic potentials are studied. It is found that the harmonic potential only influences the constraint condition of the semirational solution, the linear potential is related to the trajectory of the semirational RWs, while dispersion and nonlinearity determine the excitation position of the higher-order RWs. The higher-order RWs can be partly, completely and biperiodically excited in periodic distribution system and the diverse excited patterns can be generated for different parameter relations in exponential decreasing system. The results reveal that the excitation of the higher-order RWs can be controlled in the nonautonomous system by choosing dispersion, nonlinearity and external potentials.

Second virial coefficient of a generalized Lennard-Jones potential.

PubMed

González-Calderón, Alfredo; Rocha-Ichante, Adrián

2015-01-21

We present an exact analytical solution for the second virial coefficient of a generalized Lennard-Jones type of pair potential model. The potential can be reduced to the Lennard-Jones, hard-sphere, and sticky hard-sphere models by tuning the potential parameters corresponding to the width and depth of the well. Thus, the second virial solution can also regain the aforementioned cases. Moreover, the obtained expression strongly resembles the one corresponding to the Kihara potential. In fact, the Fk functions are the same. Furthermore, for these functions, the complete expansions at low and high temperature are given. Additionally, we propose an alternative stickiness parameter based on the obtained second virial coefficient.

Comparison of high-angle-of-attack slender-body theory and exact solutions for potential flow over an ellipsoid

NASA Technical Reports Server (NTRS)

Hemsch, Michael J.

1990-01-01

The accuracy of high-alpha slender-body theory (HASBT) for bodies with elliptical cross-sections is presently demonstrated by means of a comparison with exact solutions for incompressible potential flow over a wide range of ellipsoid geometries and angles of attack and sideslip. The addition of the appropriate trigonometric coefficients to the classical slender-body theory decomposition yields the formally correct HASBT, and results in accuracies previously considered unattainable.

Modulation of localized solutions in a system of two coupled nonlinear Schrödinger equations.

PubMed

Cardoso, W B; Avelar, A T; Bazeia, D

2012-08-01

In this work we study localized solutions of a system of two coupled nonlinear Schrödinger equations, with the linear (potential) and nonlinear coefficients engendering spatial and temporal dependencies. Similarity transformations are used to convert the nonautonomous coupled equations into autonomous ones and we use the trial orbit method to help us solving them, presenting solutions in a general way. Numerical experiments are then used to verify the stability of the localized solutions.

Challenges and Solutions When Using Technologies in the Classroom

ERIC Educational Resources Information Center

Johnson, Amy M.; Jacovina, Matthew E.; Russell, Devin G.; Soto, Christian M.

2016-01-01

The purpose of this chapter is to present common challenges faced by educators when attempting to integrate technology in the classroom, and offer potential solutions to those problems. Examination of these issues should be valuable to current and future educators, school administrators, as well as educational technology researchers. The chapter…

Technology-Based Literacy Instruction for English Language Learners

ERIC Educational Resources Information Center

White, Erin L.; Gillard, Sharlett

2011-01-01

There is a growing need to implement an alternative and viable solution in U.S. K-12 schools that will address the ever-growing gap that the rapidly growing English language learner (ELL) population presents. This article examines various technology-based solutions, and their potential impact. The systematic implementation of these…

Kmonodium, a Program for the Numerical Solution of the One-Dimensional Schrodinger Equation

ERIC Educational Resources Information Center

Angeli, Celestino; Borini, Stefano; Cimiraglia, Renzo

2005-01-01

A very simple strategy for the solution of the Schrodinger equation of a particle moving in one dimension subjected to a generic potential is presented. This strategy is implemented in a computer program called Kmonodium, which is free and distributed under the General Public License (GPL).

Using Solution-Focused Applications for Transitional Coping of Workplace Survivors

ERIC Educational Resources Information Center

Germain, Marie-Line; Palamara, Sherry A.

2007-01-01

Solution-focused applications are proposed to assist survivor employees to return to workplace homeostasis after co-workers voluntarily or involuntarily leave the organization. A model for transitional coping is presented as well as a potential case study illustrating the application of the model. Implications for the theory, practice, and…

Breakdown of the conservative potential equation

NASA Technical Reports Server (NTRS)

Salas, M. D.; Gumbert, C. R.

1986-01-01

The conservative full-potential equation is used to study transonic flow over five airfoil sections. The results of the study indicate that once shock are present in the flow, the qualitative approximation is different from that observed with the Euler equations. The difference in behavior of the potential eventually leads to multiple solutions.

Self-Paced Physics, Segments 24-27.

ERIC Educational Resources Information Center

New York Inst. of Tech., Old Westbury.

Four study segments of the Self-Paced Physics Course materials are presented in this fifth problems and solutions book used as a part of student course work. The subject matter is related to work in electric fields, potential differences, parallel plates, electric potential energies, potential gradients, capacitances, and capacitor circuits.…

Determination of the potential gold electrowinning from an ammoniacal thiosulphate solution applied to recycling of printed circuit board scraps.

PubMed

Kasper, Angela C; Carrillo Abad, Jordi; García Gabaldón, Montserrat; Veit, Hugo M; Pérez Herranz, Valentín

2016-01-01

The use of electrochemical techniques in the selective recovery of gold from a solution containing thiosulphate, ammonia, and copper, obtained from the leaching of printed circuit boards from mobile phones using ammoniacal thiosulphate, are shown in this work. First, cyclic voltammetry tests were performed to determine the potential of electrodeposition of gold and copper, and then, electrowinning tests at different potentials for checking the rates of recovery of these metals were performed. The results of the cyclic voltammetry show that copper deposition occurs at potentials more negative than -600 mV (Ag/AgCl), whereas the gold deposition can be performed at potentials more positives than -600 mV (Ag/AgCl). The results of electrowinning show that 99% of the gold present in solutions containing thiosulphate and copper can be selectively recovered in a potential range between -400 mV (vs Ag/AgCl) and -500 mV (vs Ag/AgCl). Furthermore, 99% of copper can be recovered in potentials more negative than -700 mV (vs Ag/AgCl). © The Author(s) 2015.

Analysis of Oblique Wave Interaction with a Comb-Type Caisson Breakwater

NASA Astrophysics Data System (ADS)

Wang, Xinyu; Liu, Yong; Liang, Bingchen

2018-04-01

This study develops an analytical solution for oblique wave interaction with a comb-type caisson breakwater based on linear potential theory. The fluid domain is divided into inner and outer regions according to the geometrical shape of breakwater. By using periodic boundary condition and separation of variables, series solutions of velocity potentials in inner and outer regions are developed. Unknown expansion coefficients in series solutions are determined by matching velocity and pressure of continuous conditions on the interface between two regions. Then, hydrodynamic quantities involving reflection coefficients and wave forces acting on breakwater are estimated. Analytical solution is validated by a multi-domain boundary element method solution for the present problem. Diffusion reflection due to periodic variations in breakwater shape and corresponding surface elevations around the breakwater are analyzed. Numerical examples are also presented to examine effects of caisson parameters on total wave forces acting on caissons and total wave forces acting on side plates. Compared with a traditional vertical wall breakwater, the wave force acting on a suitably designed comb-type caisson breakwater can be significantly reduced. This study can give a better understanding of the hydrodynamic performance of comb-type caisson breakwaters.

Approximate bound-state solutions of the Dirac equation for the generalized yukawa potential plus the generalized tensor interaction

NASA Astrophysics Data System (ADS)

Ikot, Akpan N.; Maghsoodi, Elham; Hassanabadi, Hassan; Obu, Joseph A.

2014-05-01

In this paper, we obtain the approximate analytical bound-state solutions of the Dirac particle with the generalized Yukawa potential within the framework of spin and pseudospin symmetries for the arbitrary к state with a generalized tensor interaction. The generalized parametric Nikiforov-Uvarov method is used to obtain the energy eigenvalues and the corresponding wave functions in closed form. We also report some numerical results and present figures to show the effect of the tensor interaction.

Symmetries and Special Solutions of Reductions of the Lattice Potential KdV Equation

NASA Astrophysics Data System (ADS)

Ormerod, Christopher M.

2014-01-01

We identify a periodic reduction of the non-autonomous lattice potential Korteweg-de Vries equation with the additive discrete Painlevé equation with E_6^{(1)} symmetry. We present a description of a set of symmetries of the reduced equations and their relations to the symmetries of the discrete Painlevé equation. Finally, we exploit the simple symmetric form of the reduced equations to find rational and hypergeometric solutions of this discrete Painlevé equation.

Solution of the Fokker-Planck equation with a logarithmic potential and mixed eigenvalue spectrum

NASA Astrophysics Data System (ADS)

Guarnieri, F.; Moon, W.; Wettlaufer, J. S.

2017-09-01

Motivated by a problem in climate dynamics, we investigate the solution of a Bessel-like process with a negative constant drift, described by a Fokker-Planck equation with a potential V (x ) =-[b ln(x ) +a x ] , for b >0 and a <0 . The problem belongs to a family of Fokker-Planck equations with logarithmic potentials closely related to the Bessel process that has been extensively studied for its applications in physics, biology, and finance. The Bessel-like process we consider can be solved by seeking solutions through an expansion into a complete set of eigenfunctions. The associated imaginary-time Schrödinger equation exhibits a mix of discrete and continuous eigenvalue spectra, corresponding to the quantum Coulomb potential describing the bound states of the hydrogen atom. We present a technique to evaluate the normalization factor of the continuous spectrum of eigenfunctions that relies solely upon their asymptotic behavior. We demonstrate the technique by solving the Brownian motion problem and the Bessel process both with a constant negative drift. We conclude with a comparison to other analytical methods and with numerical solutions.

Stress fields around two pores in an elastic body: exact quadrature domain solutions.

PubMed

Crowdy, Darren

2015-08-08

Analytical solutions are given for the stress fields, in both compression and far-field shear, in a two-dimensional elastic body containing two interacting non-circular pores. The two complex potentials governing the solutions are found by using a conformal mapping from a pre-image annulus with those potentials expressed in terms of the Schottky-Klein prime function for the annulus. Solutions for a three-parameter family of elastic bodies with two equal symmetric pores are presented and the compressibility of a special family of pore pairs is studied in detail. The methodology extends to two unequal pores. The importance for boundary value problems of plane elasticity of a special class of planar domains known as quadrature domains is also elucidated. This observation provides the route to generalization of the mathematical approach here to finding analytical solutions for the stress fields in bodies containing any finite number of pores.

Computation of molecular vibrational frequencies using anomalous harmoniclike potentials.

PubMed

Li, Xiangzhu; Paldus, Josef

2009-07-28

The instabilities of Hartree-Fock (HF) solutions at or near the equilibrium geometry of symmetric molecular species imply the existence of broken-symmetry solutions having a lower energy than the corresponding symmetry-adapted ones. Moreover, the distortion of the nuclear framework along the normal modes that are implied by such broken-symmetry solutions results in an anomalous or even singular behavior in the corresponding cuts of the potential energy surface (PES). Using such HF solutions as a reference, these anomalies propagate to a post-HF level and make it impossible to determine reliable harmonic or fundamental vibrational frequencies for such modes by relying on either numerical or analytical differentiation of the PES, requiring instead a numerical integration of the Schrodinger equation for the nuclear motion. This, in turn, requires a detailed knowledge on the PES in a wide range of geometries, necessitating a computation of the potential energy function in a large number of points. We present an alternative approach to this problem, referred to as the integral averaging method (IAM), which facilitates this task by significantly reducing the number of geometries for which one has to compute the potential energy while yielding results of practically the same accuracy as the solution of the Schrodinger equation. The IAM is applied to several ABA-type triatomics and to the allyl radical, whose asymmetric stretching mode potential suffers from an anomalous behavior due to the spin-preserving instabilities in restricted open-shell HF solutions.

Wavefronts, actions and caustics determined by the probability density of an Airy beam

NASA Astrophysics Data System (ADS)

Espíndola-Ramos, Ernesto; Silva-Ortigoza, Gilberto; Sosa-Sánchez, Citlalli Teresa; Julián-Macías, Israel; de Jesús Cabrera-Rosas, Omar; Ortega-Vidals, Paula; Alejandro Juárez-Reyes, Salvador; González-Juárez, Adriana; Silva-Ortigoza, Ramón

2018-07-01

The main contribution of the present work is to use the probability density of an Airy beam to identify its maxima with the family of caustics associated with the wavefronts determined by the level curves of a one-parameter family of solutions to the Hamilton–Jacobi equation with a given potential. To this end, we give a classical mechanics characterization of a solution of the one-dimensional Schrödinger equation in free space determined by a complete integral of the Hamilton–Jacobi and Laplace equations in free space. That is, with this type of solution, we associate a two-parameter family of wavefronts in the spacetime, which are the level curves of a one-parameter family of solutions to the Hamilton–Jacobi equation with a determined potential, and a one-parameter family of caustics. The general results are applied to an Airy beam to show that the maxima of its probability density provide a discrete set of: caustics, wavefronts and potentials. The results presented here are a natural generalization of those obtained by Berry and Balazs in 1979 for an Airy beam. Finally, we remark that, in a natural manner, each maxima of the probability density of an Airy beam determines a Hamiltonian system.

Potential of Calendula alata for phytoremediation of stable cesium and lead from solutions.

PubMed

Borghei, Mehdi; Arjmandi, Reza; Moogouei, Roxana

2011-10-01

Calendula alata plants were tested for their potential to remove stable cesium and lead from solutions in a 15-day period. The plants were grown hydroponically and placed in solutions containing CsCl and Pb(C₂H₃O₂)₂ at different concentrations (0.6, 2 and 5 mg l⁻¹). When plants were incubated in CsCl solutions 46.84 ± 2.12%, 41.35 ± 1.59%, and 52.06 ± 1.02% cesium was found to be remediated after 15 days. Moreover, more than 99% lead was removed from the Pb(C₂H₃O₂)₂ solution in all three concentrations after 15 days during the same period. When both CsCl and Pb(C₂H₃O₂)₂ were supplemented together in the solution, 9.92 ± 1.22%, 45.56 ± 3.52%, and 46.16 ± 1.48% cesium and 95.30 ± 0.72%, 96.64 ± 0.30%, and 99.02 ± 0.04% lead were removed after 15 days. The present study suggests that hydroponically grown C. alata could be used as a potential candidate plant for phytoremediation of cesium and lead from solutions; however, plants were found to be more efficient for the remediation of lead than cesium.

A closed-form solution for steady-state coupled phloem/xylem flow using the Lambert-W function.

PubMed

Hall, A J; Minchin, P E H

2013-12-01

A closed-form solution for steady-state coupled phloem/xylem flow is presented. This incorporates the basic Münch flow model of phloem transport, the cohesion model of xylem flow, and local variation in the xylem water potential and lateral water flow along the transport pathway. Use of the Lambert-W function allows this solution to be obtained under much more general and realistic conditions than has previously been possible. Variation in phloem resistance (i.e. viscosity) with solute concentration, and deviations from the Van't Hoff expression for osmotic potential are included. It is shown that the model predictions match those of the equilibrium solution of a numerical time-dependent model based upon the same mechanistic assumptions. The effect of xylem flow upon phloem flow can readily be calculated, which has not been possible in any previous analytical model. It is also shown how this new analytical solution can handle multiple sources and sinks within a complex architecture, and can describe competition between sinks. The model provides new insights into Münch flow by explicitly including interactions with xylem flow and water potential in the closed-form solution, and is expected to be useful as a component part of larger numerical models of entire plants. © 2013 John Wiley & Sons Ltd.

Exact Solutions of Schrödinger Equation with Improved Ring-Shaped Non-Spherical Harmonic Oscillator and Coulomb Potential

NASA Astrophysics Data System (ADS)

Ndem Ikot, Akpan; Akpan, Ita O.; Abbey, T. M.; Hassanabadi, Hassan

2016-05-01

We propose improved ring shaped like potential of the form, V(r, θ) = V(r) + (ħ2/2Mr2)[(β sin2 θ + γ cos2 θ + λ) / sin θ cos θ]2 and its exact solutions are presented via the Nikiforov-Uvarov method. The angle dependent part V(θ) = (ħ2 / 2 Mr2)[(β sin2 θ + γ cos2 θ + λ) / sin θ cos θ]2, which is reported for the first time embodied the novel angle dependent (NAD) potential and harmonic novel angle dependent potential (HNAD) as special cases. We discuss in detail the effects of the improved ring shaped like potential on the radial parts of the spherical harmonic and Coulomb potentials.

Chemical potential of carbon in the system UPuCON: Measurements and calculation

NASA Astrophysics Data System (ADS)

Anthonysamy, S.; Ananthasivan, K.; Kahappan, I.; Chandramouli, V.; Vasudeva Rao, P. R.; Mathews, C. K.; Jacob, K. T.

1995-05-01

The carbon potential of (U,Pu) mixed carbides with Pu/(U + Pu) ratios of 0.55 and 0.70 was measured in the temperature range 973 to 1173 K by employing a methane-hydrogen gas equilibration technique. The technique was validated by measuring the Gibbs energy of formation of WC. The compatibility of the mixed carbides with the stainless steel clad was analysed by using the measured carbon potentials. The carbon potentials of mixed carbides of other compositions were calculated theoretically in order to assess their compatibility. The calculations assume ideal solution behavior for all the solid solutions present in the UPuCON system.

The Wearable Poster: What all the Cool Kids will be Doing Next Fall

NASA Astrophysics Data System (ADS)

Moore, W. B.

2004-12-01

One of the primary drawbacks to giving a poster is that if you do everything right and present an exciting and interesting idea, you get stuck standing at your poster discussing it the entire session and you miss everything else that's going on. But the poster concept lends itself easily to being transported. From a low-tech solution such as a sandwich-board, to laptop based solutions, concepts that free the presenter from being stuck in one place will be presented and demonstrated. One potential problem of freeing the presenter from a fixed location is actually locating the presentations you want to see. Solutions to this include pager-based hotlists, wi-fi localization techniques, and the simpler ``I will be at this place at this time'' solution currently in use. By allowing the presentation to move with the presenter, interactions will be freer and more spontaneous, information will be more readily shared, and the poster ``session'' will become a dynamic exchange that goes on throughout the meeting, whenever two people with common interests run into each other.

Solar Energy - Solution or Pipedream?

ERIC Educational Resources Information Center

Polk, Joyce

This series of lessons and class activities is designed for presentation in a sequence of nine class days. The collection is intended to provide the student in advanced science classes with awareness of the possibilities and limitations of solar energy as a potential solution to the energy crisis. Included are discussion of the following: (1)…

Elementary School Students' Water Awareness

ERIC Educational Resources Information Center

Coban, Gul Unal; Akpinar, Ercan; Kucukcankurtaran, Evren; Yildiz, Eylem; Ergin, Omer

2011-01-01

Environmental problems grow gradually and their effects are felt in various ways such as shortage of potable water. Among the various solutions offered to solve these problems, there is one standing which has the potential of encapsulating all the solutions in, that is "water education". Therefore, the aim of this study is to present the…

Renewing America's Progress: A Positive Solution to School Reform.

ERIC Educational Resources Information Center

Genck, Fredric H.

This book was designed to help citizens evaluate and improve their local schools. It contends that the solution to the potential end of America's progress is through positive school reform--the public management of schools. It presents a system of participative and results-oriented management that is implemented by boards, administrators, and…

A Pollutant Transformation Laboratory Exercise for Environmental Chemistry: The Reduction of Nitrobenzenes by Anaerobic Solutions of Humic Acid

ERIC Educational Resources Information Center

Dunnivant, Frank M.; Reynolds, Mark-Cody

2007-01-01

The laboratory experiment, which acts as a capstone, integrated lecture-laboratory exercise involving solution preparation, pH buffers, [E[subscript]H] (reduction potential) buffers, organic reaction mechanisms, reaction kinetics, and instrumental analysis is presented. The students completing the lecture and laboratory exercises could gain a…

Charge regulation at semiconductor-electrolyte interfaces.

PubMed

Fleharty, Mark E; van Swol, Frank; Petsev, Dimiter N

2015-07-01

The interface between a semiconductor material and an electrolyte solution has interesting and complex electrostatic properties. Its behavior will depend on the density of mobile charge carriers that are present in both phases as well as on the surface chemistry at the interface through local charge regulation. The latter is driven by chemical equilibria involving the immobile surface groups and the potential determining ions in the electrolyte solution. All these lead to an electrostatic potential distribution that propagate such that the electrolyte and the semiconductor are dependent on each other. Hence, any variation in the charge density in one phase will lead to a response in the other. This has significant implications on the physical properties of single semiconductor-electrolyte interfaces and on the electrostatic interactions between semiconductor particles suspended in electrolyte solutions. The present paper expands on our previous publication (Fleharty et al., 2014) and offers new results on the electrostatics of single semiconductor interfaces as well as on the interaction of charged semiconductor colloids suspended in electrolyte solution. Copyright © 2014 Elsevier Inc. All rights reserved.

An interaction algorithm for prediction of mean and fluctuating velocities in two-dimensional aerodynamic wake flows

NASA Technical Reports Server (NTRS)

Baker, A. J.; Orzechowski, J. A.

1980-01-01

A theoretical analysis is presented yielding sets of partial differential equations for determination of turbulent aerodynamic flowfields in the vicinity of an airfoil trailing edge. A four phase interaction algorithm is derived to complete the analysis. Following input, the first computational phase is an elementary viscous corrected two dimensional potential flow solution yielding an estimate of the inviscid-flow induced pressure distribution. Phase C involves solution of the turbulent two dimensional boundary layer equations over the trailing edge, with transition to a two dimensional parabolic Navier-Stokes equation system describing the near-wake merging of the upper and lower surface boundary layers. An iteration provides refinement of the potential flow induced pressure coupling to the viscous flow solutions. The final phase is a complete two dimensional Navier-Stokes analysis of the wake flow in the vicinity of a blunt-bases airfoil. A finite element numerical algorithm is presented which is applicable to solution of all partial differential equation sets of inviscid-viscous aerodynamic interaction algorithm. Numerical results are discussed.

A new construction of rational electromagnetic knots

NASA Astrophysics Data System (ADS)

Lechtenfeld, Olaf; Zhilin, Gleb

2018-06-01

We set up a correspondence between solutions of the Yang-Mills equations on R ×S3 and in Minkowski spacetime via de Sitter space. Some known Abelian and non-Abelian exact solutions are rederived. For the Maxwell case we present a straightforward algorithm to generate an infinite number of explicit solutions, with fields and potentials in Minkowski coordinates given by rational functions of increasing complexity. We illustrate our method with a nontrivial example.

Study of a binary interpenetrated polymeric complex by correlation of rheological parameters with zeta potential and conductivity.

PubMed

Nita, Loredana Elena; Chiriac, Aurica P; Neamtu, Iordana; Bercea, Maria

2010-03-01

The interpenetrated macromolecular chains complexation between poly(aspartic acid) and poly(vinyl alcohol) in aqueous solution it was investigated. The interpolymer complexation process was evaluated through dynamic rheology. The aspects concerning the stability of the tested homopolymers and the prepared interpolymeric complex there were achieved from the evaluation of the aqueous solutions'zeta potential and also by determining the pH influence upon the zeta potential and the conductivity. The data obtained through the rheological dynamic measurements were correlated with the composition of the polymeric mixture, the dependence of zeta potential and conductivity. The study reveals the conditions for the formation of interpenetrated polymeric complex as being a ratio of 70wt.% PAS to 30wt.% PVA at 22 degrees C and 50/50 PAS/PVA ratio at 37 degrees C temperature. From the pH influence upon the zeta potential values it was evidenced the PAS aqueous solution does not reach the isoelectric point. At the same time, PVA solution and the complex PAS/PVA reaches the isoelectric point at strongly acid pH. The better stability of PAS, PVA and their mixture in solution is recorded in the alkaline domain (7.5or=12). The conductivity increases with the rising of the PAS content, pH and temperature. Other characteristics of the prepared interpenetrated polymeric structure, as for example thermal stability, there are also presented.

Power law expansion of the early universe for a V (a) = kan potential

NASA Astrophysics Data System (ADS)

Freitas, Augusto S.

2018-01-01

In a recent paper, He, Gao and Cai [Phys. Rev. D 89, 083510 (2014)], found a rigorous proof, based on analytical solutions of the Wheeler-DeWitt (WDWE) equation, of the spontaneous creation of the universe from nothing. The solutions were obtained from a classical potential V = ka2, where a is the scale factor. In this paper, we present a complementary (to that of He, Gao and Cai) solution to the WDWE equation with V = kan. I have found an exponential expansion of the true vacuum bubble for all scenarios. In all scenarios, we found a power law behavior of the scale factor result which is in agreement with another studies.

Bohr Hamiltonian for γ = 30° with Davidson potential

NASA Astrophysics Data System (ADS)

Yigitoglu, Ibrahim; Gokbulut, Melek

2018-03-01

A γ-rigid solution of the Bohr Hamiltonian for γ = 30° is constructed with the Davidson potential in the β part. This solution is going to be called Z(4)-D. The energy eigenvalues and wave functions are obtained by using the analytic method developed by Nikiforov and Uvarov. The calculated intraband and interband B(E2) transitions rates are presented and compared with the Z(4) model predictions. The staggering behavior in γ-bands is considered to search Z(4) -D candidate nuclei. A variational procedure is applied to demonstrate that the Z(4) model is a solution of the critical point at the shape phase transition from spherical to rigid triaxial rotor.

Exact solutions to three-dimensional generalized nonlinear Schrödinger equations with varying potential and nonlinearities.

PubMed

Yan, Zhenya; Konotop, V V

2009-09-01

It is shown that using the similarity transformations, a set of three-dimensional p-q nonlinear Schrödinger (NLS) equations with inhomogeneous coefficients can be reduced to one-dimensional stationary NLS equation with constant or varying coefficients, thus allowing for obtaining exact localized and periodic wave solutions. In the suggested reduction the original coordinates in the (1+3) space are mapped into a set of one-parametric coordinate surfaces, whose parameter plays the role of the coordinate of the one-dimensional equation. We describe the algorithm of finding solutions and concentrate on power (linear and nonlinear) potentials presenting a number of case examples. Generalizations of the method are also discussed.

Preliminary evaluation of solution-mining intrusion into a salt-dome repository

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

Not Available

1981-06-01

This report is the product of the work of an ONWI task force to evaluate inadvertant human intrusion into a salt dome repository by solution mining. It summarizes the work in the following areas: a general review of the levels of defense that could reduce both the likelihood and potential consequences of human intrusion into a salt dome repository; evaluation of a hypothetical intrusion scenario and its consequences; recommendation for further studies. The conclusions of this task force report can be summarized as follows: (1) it is not possible at present to establish with certainty that solution mining is crediblemore » as a human-intrusion event. The likelihood of such an intrusion will depend on the effectiveness of the preventive measures; (2) an example analysis based on the realistic approach is presented in this report; it concluded that the radiological consequences are strongly dependent upon the mode of radionuclide release from the waste form, time after emplacement, package design, impurities in the host salt, the amount of a repository intercepted, the solution mining cavity form, the length of time over which solution mining occurs, the proportion of contaminated salt source for human consumption compared to other sources, and the method of salt purification for culinary purposes; (3) worst case scenarios done by other studies suggest considerable potential for exposures to man while preliminary evaluations of more realistic cases suggest significantly reduced potential consequences. Mathematical model applications to process systems, guided by more advanced assumptions about human intrusion into geomedia, will shed more light on the potential for concerns and the degree to which mitigative measures will be required.« less

Formalism for calculation of polymer-solvent-mediated potential

NASA Astrophysics Data System (ADS)

Zhou, Shiqi

2006-07-01

A simple theoretical approach is proposed for calculation of a solvent-mediated potential (SMP) between two colloid particles immersed in a polymer solvent bath in which the polymer is modeled as a chain with intramolecular degrees of freedom. The present recipe is only concerned with the estimation of the density profile of a polymer site around a single solute colloid particle instead of two solute colloid particles separated by a varying distance as done in existing calculational methods for polymer-SMP. Therefore the present recipe is far simpler for numerical implementation than the existing methods. The resultant predictions for the polymer-SMP and polymer solvent-mediated mean force (polymer-SMMF) are in very good agreement with available simulation data. With the present recipe, change tendencies of the contact value and second virial coefficiency of the SMP as a function of size ratio between the colloid particle and polymer site, the number of sites per chain, and the polymer concentration are investigated in detail. The metastable critical polymer concentration as a function of size ratio and the number of sites per chain is also reported for the first time. To yield the numerical solution of the present recipe at less than 1min on a personal computer, a rapid and accurate algorithm for the numerical solution of the classical density functional theory is proposed to supply rapid and accurate estimation of the density profile of the polymer site as an input into the present formalism.

Analytical and exact solutions of the spherical and cylindrical diodes of Langmuir-Blodgett law

NASA Astrophysics Data System (ADS)

Torres-Cordoba, Rafael; Martinez-Garcia, Edgar

2017-10-01

This paper discloses the exact solutions of a mathematical model that describes the cylindrical and spherical electron current emissions within the context of a physics approximation method. The solution involves analyzing the 1D nonlinear Poisson equation, for the radial component. Although an asymptotic solution has been previously obtained, we present a theoretical solution that satisfies arbitrary boundary conditions. The solution is found in its parametric form (i.e., φ(r )=φ(r (τ)) ) and is valid when the electric field at the cathode surface is non-zero. Furthermore, the non-stationary spatial solution of the electric potential between the anode and the cathode is also presented. In this work, the particle-beam interface is considered to be at the end of the plasma sheath as described by Sutherland et al. [Phys. Plasmas 12, 033103 2005]. Three regimes of space charge effects—no space charge saturation, space charge limited, and space charge saturation—are also considered.

Black string in dRGT massive gravity

NASA Astrophysics Data System (ADS)

Tannukij, Lunchakorn; Wongjun, Pitayuth; Ghosh, Suchant G.

2017-12-01

We present a cylindrically symmetric solution, both charged and uncharged, which is known as a black string solution to the nonlinear ghost-free massive gravity found by de Rham, Gabadadze, and Tolley (dRGT). This "dRGT black string" can be thought of as a generalization of the black string solution found by Lemos. Moreover, the dRGT black string solution includes other classes of black string solution such as the monopole-black string ones since the graviton mass contributes to the global monopole term as well as the cosmological-constant term. To investigate the solution, we compute mass, temperature, and entropy of the dRGT black string. We found that the existence of the graviton mass drastically affects the thermodynamics of the black string. Furthermore, the Hawking-Page phase transition is found to be possible for the dRGT black string as well as the charged dRGT black string. The dRGT black string solution is thermodynamically stable for r>r_c with negative thermodynamical potential and positive heat capacity while it is unstable for r

Photon and neutron interrogation techniques for chemical explosives detection in air cargo: A critical review

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

Runkle, Robert C.; White, Timothy A.; Miller, Erin A.

Scanning cargo transported via aircraft ("air cargo") for explosive threats is a problem that, at present, lacks a comprehensive technical solution. While explosives detection in the baggage-scanning domain has a rich history that sheds light on potential solutions for air cargo, baggage scanning differs in several ways and thus one cannot look to the present array of technologies. Some contemporary solutions, like trace analysis, are not readily applied to cargo due to sampling challenges while the larger geometry of air cargo makes others less effective. This review article examines an array of interrogation techniques using photons and neutrons as incidentmore » particles. We first present a summary of the signatures and observables explosives provide and review how they have been exploited in baggage scanning. Following this is a description of the challenges posed by the air cargo application space. After considering interrogation sources, methods focused on transmission imaging, sub-surface examination and elemental characterization are described. It is our goal to shed light on the technical promise of each method while largely deferring questions that revolve around footprint, safety and conduct of operations. Our overarching intent is that a comprehensive understanding of potential techniques will foster development of a comprehensive solution.« less

Cosmic acceleration from M theory on twisted spaces

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

Neupane, Ishwaree P.; Wiltshire, David L.

2005-10-15

In a recent paper [I. P. Neupane and D. L. Wiltshire, Phys. Lett. B 619, 201 (2005).] we have found a new class of accelerating cosmologies arising from a time-dependent compactification of classical supergravity on product spaces that include one or more geometric twists along with nontrivial curved internal spaces. With such effects, a scalar potential can have a local minimum with positive vacuum energy. The existence of such a minimum generically predicts a period of accelerated expansion in the four-dimensional Einstein conformal frame. Here we extend our knowledge of these cosmological solutions by presenting new examples and discuss themore » properties of the solutions in a more general setting. We also relate the known (asymptotic) solutions for multiscalar fields with exponential potentials to the accelerating solutions arising from simple (or twisted) product spaces for internal manifolds.« less

Technical solutions to overcrowded park and ride facilities

DOT National Transportation Integrated Search

2007-05-01

This report presents the results on potential techniques to more efficiently utilize existing park and ride : technologies and plan for future changes to the park and ride facilities. It presents: : A summary of parking monitoring and parking guidanc...

A variational numerical method based on finite elements for the nonlinear solution characteristics of the periodically forced Chen system

NASA Astrophysics Data System (ADS)

Khan, Sabeel M.; Sunny, D. A.; Aqeel, M.

2017-09-01

Nonlinear dynamical systems and their solutions are very sensitive to initial conditions and therefore need to be approximated carefully. In this article, we present and analyze nonlinear solution characteristics of the periodically forced Chen system with the application of a variational method based on the concept of finite time-elements. Our approach is based on the discretization of physical time space into finite elements where each time-element is mapped to a natural time space. The solution of the system is then determined in natural time space using a set of suitable basis functions. The numerical algorithm is presented and implemented to compute and analyze nonlinear behavior at different time-step sizes. The obtained results show an excellent agreement with the classical RK-4 and RK-5 methods. The accuracy and convergence of the method is shown by comparing numerically computed results with the exact solution for a test problem. The presented method has shown a great potential in dealing with the solutions of nonlinear dynamical systems and thus can be utilized in delineating different features and characteristics of their solutions.

Transient finite element analysis of electric double layer using Nernst-Planck-Poisson equations with a modified Stern layer.

PubMed

Lim, Jongil; Whitcomb, John; Boyd, James; Varghese, Julian

2007-01-01

A finite element implementation of the transient nonlinear Nernst-Planck-Poisson (NPP) and Nernst-Planck-Poisson-modified Stern (NPPMS) models is presented. The NPPMS model uses multipoint constraints to account for finite ion size, resulting in realistic ion concentrations even at high surface potential. The Poisson-Boltzmann equation is used to provide a limited check of the transient models for low surface potential and dilute bulk solutions. The effects of the surface potential and bulk molarity on the electric potential and ion concentrations as functions of space and time are studied. The ability of the models to predict realistic energy storage capacity is investigated. The predicted energy is much more sensitive to surface potential than to bulk solution molarity.

Non-polynomial extensions of solvable potentials à la Abraham-Moses

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

Odake, Satoru; Sasaki, Ryu; Center for Theoretical Sciences, National Taiwan University, Taipei 10617, Taiwan

2013-10-15

Abraham-Moses transformations, besides Darboux transformations, are well-known procedures to generate extensions of solvable potentials in one-dimensional quantum mechanics. Here we present the explicit forms of infinitely many seed solutions for adding eigenstates at arbitrary real energy through the Abraham-Moses transformations for typical solvable potentials, e.g., the radial oscillator, the Darboux-Pöschl-Teller, and some others. These seed solutions are simple generalisations of the virtual state wavefunctions, which are obtained from the eigenfunctions by discrete symmetries of the potentials. The virtual state wavefunctions have been an essential ingredient for constructing multi-indexed Laguerre and Jacobi polynomials through multiple Darboux-Crum transformations. In contrast to themore » Darboux transformations, the virtual state wavefunctions generate non-polynomial extensions of solvable potentials through the Abraham-Moses transformations.« less

Solutions of the Schrodinger Equation Using Approximate Nucleon-Nucleon and Lambda-Nucleon Potentials.

ERIC Educational Resources Information Center

Banerjee, S. N.; Chakraborty, S. N.

1980-01-01

Presents the outline of an approach related to the teaching of the chapter on bound and scattering states in a short-range potential, which forms a standard part of an undergraduate quantum mechanics course or nuclear physics course. (HM)

Chemical and petrochemical industry

NASA Astrophysics Data System (ADS)

Staszak, Katarzyna

2018-03-01

The potential sources of various metals in chemical and petrochemical processes are discussed. Special emphasis is put on the catalysts used in the industry. Their main applications, compositions, especially metal contents are presented both for fresh and spent ones. The focus is on the main types of metals used in catalysts: the platinum-group metals, the rare-earth elements, and the variety of transition metals. The analysis suggested that chemical and petrochemical sectors can be considered as the secondary source of metals. Because the utilization of spent refinery catalysts for metal recovery is potentially viable, different methods were applied. The conventional approaches used in metal reclamation as hydrometallurgy and pyrometallurgy, as well as new methods include bioleaching, were described. Some industrial solutions for metal recovery from spent solution were also presented.

Cohomogeneity-one solutions in Einstein-Maxwell-dilaton gravity

NASA Astrophysics Data System (ADS)

Lim, Yen-Kheng

2017-05-01

The field equations for Einstein-Maxwell-dilaton gravity in D dimensions are reduced to an effective one-dimensional system under the influence of exponential potentials. Various cases where exact solutions can be found are explored. With this procedure, we present interesting solutions such as a one-parameter generalization of the dilaton-Melvin spacetime and a three-parameter solution that interpolates between the Reissner-Nordström and Bertotti-Robinson solutions. This procedure also allows simple, alternative derivations of known solutions such as the Lifshitz spacetime and the planar anti-de Sitter naked singularity. In the latter case, the metric is cast in a simpler form which reveals the presence of an additional curvature singularity.

Osmosis and thermodynamics explained by solute blocking.

PubMed

Nelson, Peter Hugo

2017-01-01

A solute-blocking model is presented that provides a kinetic explanation of osmosis and ideal solution thermodynamics. It validates a diffusive model of osmosis that is distinct from the traditional convective flow model of osmosis. Osmotic equilibrium occurs when the fraction of water molecules in solution matches the fraction of pure water molecules that have enough energy to overcome the pressure difference. Solute-blocking also provides a kinetic explanation for why Raoult's law and the other colligative properties depend on the mole fraction (but not the size) of the solute particles, resulting in a novel kinetic explanation for the entropy of mixing and chemical potential of ideal solutions. Some of its novel predictions have been confirmed; others can be tested experimentally or by simulation.

Osmosis and thermodynamics explained by solute blocking

PubMed Central

Nelson, Peter Hugo

2016-01-01

A solute-blocking model is presented that provides a kinetic explanation of osmosis and ideal solution thermodynamics. It validates a diffusive model of osmosis that is distinct from the traditional convective flow model of osmosis. Osmotic equilibrium occurs when the fraction of water molecules in solution matches the fraction of pure water molecules that have enough energy to overcome the pressure difference. Solute-blocking also provides a kinetic explanation for why Raoult’s law and the other colligative properties depend on the mole fraction (but not the size) of the solute particles, resulting in a novel kinetic explanation for the entropy of mixing and chemical potential of ideal solutions. Some of its novel predictions have been confirmed, others can be tested experimentally or by simulation. PMID:27225298

New solutions with accelerated expansion in string theory

DOE PAGES

Dodelson, Matthew; Dong, Xi; Silverstein, Eva; ...

2014-12-05

We present concrete solutions with accelerated expansion in string theory, requiring a small, tractable list of stress energy sources. We explain how this construction (and others in progress) evades previous no go theorems for simple accelerating solutions. Our solutions respect an approximate scaling symmetry and realize discrete sequences of values for the equation of state, including one with an accumulation point at w = –1 and another accumulating near w = –1/3 from below. In another class of models, a density of defects generates scaling solutions with accelerated expansion. Here, we briefly discuss potential applications to dark energy phenomenology, andmore » to holography for cosmology.« less

Modification of Encapsulation Pressure of Reverse Micelles in Liquid Ethane

PubMed Central

Peterson, Ronald W.; Nucci, Nathaniel V.; Wand, A. Joshua

2011-01-01

Encapsulation of within reverse micelles dissolved in low viscosity fluids offers a potential solution to the slow tumbling problem presented by large soluble macromolecules to solution NMR spectroscopy. The reduction in effective macromolecular tumbling is directly dependent upon the viscosity of the solvent. Liquid ethane is of sufficiently low viscosity at pressures below 5,000 p.s.i. to offer a significant advantage. Unfortunately, the viscosity of liquid ethane shows appreciable pressure dependence. Reverse micelle encapsulation in liquid ethane often requires significantly higher pressures, which obviates the potential advantages offered by liquid ethane over liquid propane. Addition of co-surfactants or co-solvents can be used to manipulate the minimum pressure required to obtain stable, well-behaved solutions of reverse micelles prepared in liquid ethane. A library of potential additives is examined and several candidates suitable for use with encapsulated proteins are described. PMID:21764613

Modification of encapsulation pressure of reverse micelles in liquid ethane.

PubMed

Peterson, Ronald W; Nucci, Nathaniel V; Wand, A Joshua

2011-09-01

Encapsulation within reverse micelles dissolved in low viscosity fluids offers a potential solution to the slow tumbling problem presented by large soluble macromolecules to solution NMR spectroscopy. The reduction in effective macromolecular tumbling is directly dependent upon the viscosity of the solvent. Liquid ethane is of sufficiently low viscosity at pressures below 5000 psi to offer a significant advantage. Unfortunately, the viscosity of liquid ethane shows appreciable pressure dependence. Reverse micelle encapsulation in liquid ethane often requires significantly higher pressures, which obviates the potential advantages offered by liquid ethane over liquid propane. Addition of co-surfactants or co-solvents can be used to manipulate the minimum pressure required to obtain stable, well-behaved solutions of reverse micelles prepared in liquid ethane. A library of potential additives is examined and several candidates suitable for use with encapsulated proteins are described. Copyright © 2011 Elsevier Inc. All rights reserved.

Structure-charge relationship - the case of hematite (001)

DOE PAGES

Lutzenkirchen, Johannes; Heberling, Frank; Supljika, Filip; ...

2015-01-16

We present a multidisciplinary study on the hematite (001)–aqueous solution interface, in particular the relationship between surface structure (studied via surface diffraction in a humid atmosphere) and the macroscopic charging (studied via surface- and zeta-potential measurements in electrolyte solutions as a function of pH). Upon aging in water changes in the surface structure are observed, that are accompanied by drastic changes in the zeta-potential. Surprisingly the surface potential is not accordingly affected. We interpret our results by increasing hydration of the surface with time and enhanced reactivity of singly-coordinated hydroxyl groups that cause the isoelectric point of the surface tomore » shift to values that are reminiscent of those typically reported for hematite particles. In its initial stages after preparation the hematite surface is very flat and only weakly hydrated. Our model links the entailing weak water structure with the observed low isoelectric point reminiscent of hydrophobic surfaces. The absence of an aging effect on the surface potential vs. pH curves is interpreted as domination of the surface potential by the doubly coordinated hydroxyls, which are present on both surfaces.« less

Ernst potentials for vacuum Bianchi models

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

Breton, N.

The authors derive Ernst potentials for vacuum Bianchi I through VII models. A scheme to find inhomogeneous generalizations of such models by using generating techniques which incorporate electromagnetic fields or gravitational wave perturbations to a [open quotes]seed[close quotes] Bianchi solution is presented. 35 refs., 2 tabs.

Transient Dupuit Interface Flow with partially penetrating features

NASA Astrophysics Data System (ADS)

Bakker, Mark

1998-11-01

A comprehensive potential is presented for Dupuit interface flow in coastal aquifers where both the fresh water and salt water are moving. The resulting potential flow problem may be solved, for incompressible confined aquifers, using analytic functions. The vertical velocity of the interface may then be computed analytically and the change of the position of the interface may be simulated by numerical integration through time, starting with a known (or estimated) initial position. The upconing of the interface below a partially penetrating ditch or well may be studied if Dupuit solutions for such features are available. A new Dupuit solution is derived for a ditch that penetrates the aquifer partially from above; a Dupuit solution for a partially penetrating well may be obtained following a similar derivation. The new Dupuit solution is combined with the interface solution to simulate the upconing of an initially horizontal interface below a series of partially penetrating ditches; the interface converges to the known steady state position.

Elasticity solutions for a class of composite laminate problems with stress singularities

NASA Technical Reports Server (NTRS)

Wang, S. S.

1983-01-01

A study on the fundamental mechanics of fiber-reinforced composite laminates with stress singularities is presented. Based on the theory of anisotropic elasticity and Lekhnitskii's complex-variable stress potentials, a system of coupled governing partial differential equations are established. An eigenfunction expansion method is introduced to determine the orders of stress singularities in composite laminates with various geometric configurations and material systems. Complete elasticity solutions are obtained for this class of singular composite laminate mechanics problems. Homogeneous solutions in eigenfunction series and particular solutions in polynomials are presented for several cases of interest. Three examples are given to illustrate the method of approach and the basic nature of the singular laminate elasticity solutions. The first problem is the well-known laminate free-edge stress problem, which has a rather weak stress singularity. The second problem is the important composite delamination problem, which has a strong crack-tip stress singularity. The third problem is the commonly encountered bonded composite joints, which has a complex solution structure with moderate orders of stress singularities.

Corrosion behavior and microstructures of experimental Ti-Au alloys.

PubMed

Takahashi, Masatoshi; Kikuchi, Masafumi; Takada, Yukyo; Okuno, Osamu; Okabe, Toru

2004-06-01

Anodic polarization was performed in 0.9% NaCl and 1% lactic acid solutions to characterize the relationship between the corrosion behavior and microstructures of cast Ti-Au (5-40%) alloys. An abrupt increase in the current density occurred at approximately 0.6 V vs. SCE for the 30% and 40% Au alloys in the 0.9% NaCl solution. The microstructures after corrosion testing indicated that this breakdown may have been caused by the preferential dissolution of the Ti3Au. However, the potential for preferential dissolution was higher than the breakdown potential of stainless steel or Co-Cr alloy, which meant that the corrosion resistance of the Ti-Au alloys was superior. In 1% lactic acid solution, the corrosion resistance of the Ti-Au alloys was excellent, with no breakdown at any composition. In the present test solutions, the Ti-Au alloys up to 20% Au had good corrosion resistance comparable to that for pure titanium.

The 6D superswirl

NASA Astrophysics Data System (ADS)

Parameswaran, S. L.; Tasinato, G.; Zavala, I.

2006-03-01

We present a novel supersymmetric solution to a nonlinear sigma model coupled to supergravity. The solution represents a static, supersymmetric, codimension-two object, which is different to the familiar cosmic strings. In particular, we consider 6D chiral gauged supergravity, whose spectrum contains a number of hypermultiplets. The scalar components of the hypermultiplet are charged under a gauge field, and supersymmetry implies that they experience a simple paraboloid-like (or 2D infinite well) potential, which is minimised when they vanish. Unlike conventional vortices, the energy density of our configuration is not localized to a string-like core. The solutions have two timelike singularities in the internal manifold, which provide the necessary boundary conditions to ensure that the scalars do not lie at the minimum of their potential. The 4D spacetime is flat, and the solution is a continuous deformation of the so-called "rugby ball" solution, which has been studied in the context of the cosmological constant problem. It represents an unexpected class of supersymmetric solutions to the 6D theory, which have gravity, gauge fluxes and hyperscalars all active in the background.

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

Dubrovsky, V. G.; Topovsky, A. V.

New exact solutions, nonstationary and stationary, of Veselov-Novikov (VN) equation in the forms of simple nonlinear and linear superpositions of arbitrary number N of exact special solutions u{sup (n)}, n= 1, Horizontal-Ellipsis , N are constructed via Zakharov and Manakov {partial_derivative}-dressing method. Simple nonlinear superpositions are represented up to a constant by the sums of solutions u{sup (n)} and calculated by {partial_derivative}-dressing on nonzero energy level of the first auxiliary linear problem, i.e., 2D stationary Schroedinger equation. It is remarkable that in the zero energy limit simple nonlinear superpositions convert to linear ones in the form of the sums ofmore » special solutions u{sup (n)}. It is shown that the sums u=u{sup (k{sub 1})}+...+u{sup (k{sub m})}, 1 Less-Than-Or-Slanted-Equal-To k{sub 1} < k{sub 2} < Horizontal-Ellipsis < k{sub m} Less-Than-Or-Slanted-Equal-To N of arbitrary subsets of these solutions are also exact solutions of VN equation. The presented exact solutions include as superpositions of special line solitons and also superpositions of plane wave type singular periodic solutions. By construction these exact solutions represent also new exact transparent potentials of 2D stationary Schroedinger equation and can serve as model potentials for electrons in planar structures of modern electronics.« less

Exact Solution of Klein-Gordon and Dirac Equations with Snyder-de Sitter Algebra

NASA Astrophysics Data System (ADS)

Merad, M.; Hadj Moussa, M.

2018-01-01

In this paper, we present the exact solution of the (1+1)-dimensional relativistic Klein-Gordon and Dirac equations with linear vector and scalar potentials in the framework of deformed Snyder-de Sitter model. We introduce some changes of variables, we show that a one-dimensional linear potential for the relativistic system in a space deformed can be equivalent to the trigonometric Rosen-Morse potential in a regular space. In both cases, we determine explicitly the energy eigenvalues and their corresponding eigenfunctions expressed in terms of Romonovski polynomials. The limiting cases are analyzed for α 1 and α 2 → 0 and are compared with those of literature.

Miniature Stirling cryocoolers at Thales Cryogenics: qualification results and integration solutions

NASA Astrophysics Data System (ADS)

Arts, R.; Martin, J.-Y.; Willems, D.; Seguineau, C.; de Jonge, G.; Van Acker, S.; Mullié, J.; Le Bordays, J.; Benschop, T.

2016-05-01

During the 2015 SPIE-DSS conference, Thales Cryogenics presented new miniature cryocoolers for high operating temperatures. In this paper, an update is given regarding the qualification programme performed on these new products. Integration aspects are discussed, including an in-depth examination of the influence of the dewar cold finger on sizing and performance of the cryocooler. The UP8197 will be placed in the reference frame of the Thales product range of high-reliability linear cryocoolers, while the rotary solution will be considered as the most compact solution in the Thales portfolio. Compatibility of the cryocoolers design with new and existing 1/4" dewar designs is examined, and potential future developments are presented.

Determination of refraction nonlinear index, for effect thermal, of solutions with nanoparticles of gold

NASA Astrophysics Data System (ADS)

Olivares-Vargas, A.; Trejo-Durán, M.; Alvarado-Méndez, E.; Cornejo-Monroy, D.; Mata-Chávez, R. I.; Estudillo-Ayala, J. M.; Castaño-Meneses, V.

2013-09-01

Research of nonlinear optical properties of materials for manufacturing opto-electronic devices, had a great growth in the last years. The solutions with nanoparticle metals present nonlinear optical properties. In this work we present the results of characterizing, analyzing and determining the magnitude and sign of the nonlinear refractive index, using the z-scan technique in solutions with nanoparticles of gold, lipoic acid and sodium chloride. We used a continuous Argon laser at 514 nm with variable power, an 18 cms lens, and a chopper. We determined the nonlinear refractive index in the order of 10-9. These materials have potential applications mainly as optical limiters.

Numerical Solution of the Extended Nernst-Planck Model.

PubMed

Samson; Marchand

1999-07-01

The main features of a numerical model aiming at predicting the drift of ions in an electrolytic solution upon a chemical potential gradient are presented. The mechanisms of ionic diffusion are described by solving the extended Nernst-Planck system of equations. The electrical coupling between the various ionic fluxes is accounted for by the Poisson equation. Furthermore, chemical activity effects are considered in the model. The whole system of nonlinear equations is solved using the finite-element method. Results yielded by the model for simple test cases are compared to those obtained using an analytical solution. Applications of the model to more complex problems are also presented and discussed. Copyright 1999 Academic Press.

GRUMFOIL: A computer code for the viscous transonic flow over airfoils

NASA Technical Reports Server (NTRS)

Mead, H. R.; Melnik, R. E.

1985-01-01

A user's manual which describes the operation of the computer program, GRUMFOIL is presented. The program computes the viscous transonic flow over two dimensional airfoils using a boundary layer type viscid-inviscid interaction approach. The inviscid solution is obtained by a multigrid method for the full potential equation. The boundary layer solution is based on integral entrainment methods.

Exploring Insight: Focus on Shifts of Attention

ERIC Educational Resources Information Center

Palatnik, Alik; Koichu, Boris

2015-01-01

The paper presents and analyses a sequence of events that preceded an insight solution to a challenging problem in the context of numerical sequences. A three­week long solution process by a pair of ninth­-grade students is analysed by means of the theory of shifts of attention. The goal for this article is to reveal the potential of this theory…

Contact solution algorithms

NASA Technical Reports Server (NTRS)

Tielking, John T.

1989-01-01

Two algorithms for obtaining static contact solutions are described in this presentation. Although they were derived for contact problems involving specific structures (a tire and a solid rubber cylinder), they are sufficiently general to be applied to other shell-of-revolution and solid-body contact problems. The shell-of-revolution contact algorithm is a method of obtaining a point load influence coefficient matrix for the portion of shell surface that is expected to carry a contact load. If the shell is sufficiently linear with respect to contact loading, a single influence coefficient matrix can be used to obtain a good approximation of the contact pressure distribution. Otherwise, the matrix will be updated to reflect nonlinear load-deflection behavior. The solid-body contact algorithm utilizes a Lagrange multiplier to include the contact constraint in a potential energy functional. The solution is found by applying the principle of minimum potential energy. The Lagrange multiplier is identified as the contact load resultant for a specific deflection. At present, only frictionless contact solutions have been obtained with these algorithms. A sliding tread element has been developed to calculate friction shear force in the contact region of the rolling shell-of-revolution tire model.

Debye potentials for heterogeneous media

NASA Astrophysics Data System (ADS)

Panamarev, N. S.; Donchenko, V. A.; Zemlyanov, Al. A.; Samokhvalov, I. V.; Apeksimov, D. V.; Panamaryova, A. N.; Trifonova, A. V.

2017-11-01

The paper presents the results of the Helmholtz equation solution by the method of perturbation theory in the spherical coordinate system for the Debye potentials for weakly heterogeneous media based on metal nanoparticles and the dielectric matrix. In that case, the dielectric function of a composite changes in space in the radial direction.

Partner symmetries of the complex Monge Ampère equation yield hyper-Kähler metrics without continuous symmetries

NASA Astrophysics Data System (ADS)

Malykh, A. A.; Nutku, Y.; Sheftel, M. B.

2003-10-01

We extend the Mason-Newman Lax pair for the elliptic complex Monge-Ampère equation so that this equation itself emerges as an algebraic consequence. We regard the function in the extended Lax equations as a complex potential. Their differential compatibility condition coincides with the determining equation for the symmetries of the complex Monge-Ampère equation. We shall identify the real and imaginary parts of the potential, which we call partner symmetries, with the translational and dilatational symmetry characteristics, respectively. Then we choose the dilatational symmetry characteristic as the new unknown replacing the Kähler potential. This directly leads to a Legendre transformation. Studying the integrability conditions of the Legendre-transformed system we arrive at a set of linear equations satisfied by a single real potential. This enables us to construct non-invariant solutions of the Legendre transform of the complex Monge-Ampère equation. Using these solutions we obtained explicit Legendre-transformed hyper-Kähler metrics with a anti-self-dual Riemann curvature 2-form that admit no Killing vectors. They satisfy the Einstein field equations with Euclidean signature. We give the detailed derivation of the solution announced earlier and present a new solution with an added parameter. We compare our method of partner symmetries for finding non-invariant solutions to that of Dunajski and Mason who use 'hidden' symmetries for the same purpose.

Penny-Wise, Dollar-Foolish.

ERIC Educational Resources Information Center

Griffin, C. W.

1979-01-01

A veteran energy author discusses the economic deterrents to energy-conservation design measures inherent in the present tax laws, and proposes a standard energy tax reduction as a potential solution. (Author)

Streaming potential generated by a pressure-driven flow over a super-hydrophobic surface

NASA Astrophysics Data System (ADS)

Zhao, Hui

2010-11-01

The streaming potential generated by a pressured-driven flow over a weakly charged striped slip-stick surface (the zeta potential of the surface is smaller than the thermal potential (25 mV) with an arbitrary double layer thickness is theoretically studied by solving the Poisson-Boltzmann equation and Stokes equation. A series solution of the streaming potential is derived. Approximate expressions for the streaming potential in the limits of thin double layers and thick double layers are also presented, in excellent agreement with the full solution. The streaming potential is compared against that over a homogenously charged smooth surface. Our results indicate that the streaming potential over a super-hydrophobic surface only can be enhanced when the liquid-gas interface is charged. In addition, as the double layer thickness increases, the advantage of the super-hydrophobic surface diminishes. The impact of a slip-stick surface on the streaming potential might provide guidance for designing novel and efficient microfludic energy conversion devices using a super-hydrophobic surface.

Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface.

PubMed

Rane, Kaustubh; van der Vegt, Nico F A

2016-09-15

The present work investigates the effect of interfacial fluctuations (predominantly capillary wave-like fluctuations) on the solvation free energy (Δμ) of a monatomic solute at the water-vapor interface. We introduce a grand-canonical-ensemble-based simulation approach that quantifies the contribution of interfacial fluctuations to Δμ. This approach is used to understand how the above contribution depends on the strength of dispersive and electrostatic solute-water interactions at the temperature of 400 K. At this temperature, we observe that interfacial fluctuations do play a role in the variation of Δμ with the strength of the electrostatic solute-water interaction. We also use grand canonical simulations to further investigate how interfacial fluctuations affect the propensity of the solute toward the water-vapor interface. To this end, we track a quantity called the interface potential (surface excess free energy) with the number of water molecules. With increasing number of water molecules, the liquid-vapor interface moves across a solute, which is kept at a fixed position in the simulation. Hence, the dependence of the interface potential on the number of waters models the process of moving the solute through the water-vapor interface. We analyze the change of the interface potential with the number of water molecules to explain that solute-induced changes in the interfacial fluctuations, like the pinning of capillary-wave-like undulations, do not play any role in the propensity of solutes toward water-vapor interfaces. The above analysis also shows that the dampening of interfacial fluctuations accompanies the adsorption of any solute at the liquid-vapor interface, irrespective of the chemical nature of the solute and solvent. However, such a correlation does not imply that dampening of fluctuations causes adsorption.

Effects of adaptive refinement on the inverse EEG solution

NASA Astrophysics Data System (ADS)

Weinstein, David M.; Johnson, Christopher R.; Schmidt, John A.

1995-10-01

One of the fundamental problems in electroencephalography can be characterized by an inverse problem. Given a subset of electrostatic potentials measured on the surface of the scalp and the geometry and conductivity properties within the head, calculate the current vectors and potential fields within the cerebrum. Mathematically the generalized EEG problem can be stated as solving Poisson's equation of electrical conduction for the primary current sources. The resulting problem is mathematically ill-posed i.e., the solution does not depend continuously on the data, such that small errors in the measurement of the voltages on the scalp can yield unbounded errors in the solution, and, for the general treatment of a solution of Poisson's equation, the solution is non-unique. However, if accurate solutions the general treatment of a solution of Poisson's equation, the solution is non-unique. However, if accurate solutions to such problems could be obtained, neurologists would gain noninvasive accesss to patient-specific cortical activity. Access to such data would ultimately increase the number of patients who could be effectively treated for pathological cortical conditions such as temporal lobe epilepsy. In this paper, we present the effects of spatial adaptive refinement on the inverse EEG problem and show that the use of adaptive methods allow for significantly better estimates of electric and potential fileds within the brain through an inverse procedure. To test these methods, we have constructed several finite element head models from magneteic resonance images of a patient. The finite element meshes ranged in size from 2724 nodes and 12,812 elements to 5224 nodes and 29,135 tetrahedral elements, depending on the level of discretization. We show that an adaptive meshing algorithm minimizes the error in the forward problem due to spatial discretization and thus increases the accuracy of the inverse solution.

Controlling the stability of nonlinear optical modes via electromagnetically induced transparency

NASA Astrophysics Data System (ADS)

Zhang, Kun; Liang, Yi-zeng; Lin, Ji; Li, Hui-jun

2018-02-01

We propose a scheme to generate and stabilize the high-dimensional spatial solitons via electromagnetically induced transparency (EIT). The system we consider is a resonant atomic ensemble having Λ configuration. We illustrate that under EIT conditions the equation satisfied by the probe field envelope is reduced to a saturable nonlinear Schrödinger equation with the trapping potential, provided by a far-detuned laser field and a random magnetic field. We present high-dimensional soliton solutions exhibiting many interesting characteristics, including diversity (i.e., many different types of soliton solutions can be found, including bright, ring multipole bright, ring multipole defect mode, multiring bright, multiring defect mode, and vortices solitons), the phase transition between bright soliton and higher-order defect modes (i.e., the phase transition can be realized by controlling the nonlinear coefficient or the intensity of the trapping potential), and stability (i.e., various solitons can be stabilized by the Gaussian potential provided by the far detuned laser field, or the random potential provided by the magnetic field). We also find that some solitons are the extension of the linear eigenmode, whereas others entirely derive from the role of nonlinearity. Compared with previous studies, we not only show the diverse soliton solutions in the same system but also find the boundary of the phase transition for the type of solitons. In addition, we present the possibility of using the random potential to stabilize various solitons and vortices.

Effect of collisions on photoelectron sheath in a gas

NASA Astrophysics Data System (ADS)

Sodha, Mahendra Singh; Mishra, S. K.

2016-02-01

This paper presents a study of the effect of the collision of electrons with atoms/molecules on the structure of a photoelectron sheath. Considering the half Fermi-Dirac distribution of photo-emitted electrons, an expression for the electron density in the sheath has been derived in terms of the electric potential and the structure of the sheath has been investigated by incorporating Poisson's equation in the analysis. The method of successive approximations has been used to solve Poisson's equation with the solution for the electric potential in the case of vacuum, obtained earlier [Sodha and Mishra, Phys. Plasmas 21, 093704 (2014)], being used as the zeroth order solution for the present analysis. The inclusion of collisions influences the photoelectron sheath structure significantly; a reduction in the sheath width with increasing collisions is obtained.

An investigation of several factors involved in a finite difference procedure for analyzing the transonic flow about harmonically oscillating airfoils and wings

NASA Technical Reports Server (NTRS)

Ehlers, F. E.; Sebastian, J. D.; Weatherill, W. H.

1979-01-01

Analytical and empirical studies of a finite difference method for the solution of the transonic flow about harmonically oscillating wings and airfoils are presented. The procedure is based on separating the velocity potential into steady and unsteady parts and linearizing the resulting unsteady equations for small disturbances. Since sinusoidal motion is assumed, the unsteady equation is independent of time. Three finite difference investigations are discussed including a new operator for mesh points with supersonic flow, the effects on relaxation solution convergence of adding a viscosity term to the original differential equation, and an alternate and relatively simple downstream boundary condition. A method is developed which uses a finite difference procedure over a limited inner region and an approximate analytical procedure for the remaining outer region. Two investigations concerned with three-dimensional flow are presented. The first is the development of an oblique coordinate system for swept and tapered wings. The second derives the additional terms required to make row relaxation solutions converge when mixed flow is present. A finite span flutter analysis procedure is described using the two-dimensional unsteady transonic program with a full three-dimensional steady velocity potential.

Nonlocal integrable PDEs from hierarchies of symmetry laws: The example of Pohlmeyer-Lund-Regge equation and its reflectionless potential solutions

NASA Astrophysics Data System (ADS)

Demontis, F.; Ortenzi, G.; van der Mee, C.

2018-04-01

By following the ideas presented by Fukumoto and Miyajima in Fukumoto and Miyajima (1996) we derive a generalized method for constructing integrable nonlocal equations starting from any bi-Hamiltonian hierarchy supplied with a recursion operator. This construction provides the right framework for the application of the full machinery of the inverse scattering transform. We pay attention to the Pohlmeyer-Lund-Regge equation coming from the nonlinear Schrödinger hierarchy and construct the formula for the reflectionless potential solutions which are generalizations of multi-solitons. Some explicit examples are discussed.

Potential problems relative to TDRS/IUS tilt table elevation with failed VRCS

NASA Technical Reports Server (NTRS)

Bell, J.

1980-01-01

Operational concerns and preliminary solution alternatives related to elevating the inertial upper stage/tracking and data relay satellite (IUS/TDRS) with a failed orbiter vernier reaction control system (VRCS) are presented. Problems arise from the combination of TDRS thermal constraints and tilt table constraints (the primary reaction control system (PRCS) cannot be used to hold attitude while the tilt table is being elevated), and the problems are compounded by the minimum PRCS attitude deadband. The potential solution options are affected by the launch window, flight profile, crew procedures, vehicle capability and constraints, and flight rules.

A generalized analytical solution for an inclined well in a vertically and horizontally anisotropic confined aquifer and comparisons with MODFLOW

NASA Astrophysics Data System (ADS)

Batu, Vedat

2015-01-01

In this paper, a new generalized three-dimensional complete analytical solution is presented for any well screen shape in a vertically and horizontally anisotropic confined aquifer in x-y-z Cartesian coordinates system for drawdown by taking into account the three principal hydraulic conductivities (Kx, Ky, and Kz) along the x-y-z coordinate directions. The special solution covers a partially-penetrating inclined parallelepiped as well as an inclined line source well. It has been showed that the rectangular parallelepiped screen case solution of Batu (2012) is a special case of this general solution. Like Batu (2012), the horizontal well case is a special case of this solution as well. The solution takes into account both the vertical anisotropy (azx = Kz/Kx) as well as the horizontal anisotropy (ayx = Ky/Kx) and has potential application areas to analyze pumping test drawdown data from partially-penetrating inclined wells by representing them as tiny parallelepiped as well as line sources. Apart from other verifications, the inclined well solution results have also been compared with the results of MODFLOW with very good agreement. The solution has also potential application areas for a partially-penetrating inclined parallelepiped fracture. With this new solution, both the horizontal anisotropy (ayx = Ky/Kx) as well as the vertical anisotropy (azx = Kz/Kx) can also be determined using observed drawdown data.

Scattering by multiple cylinders located on both sides of an interface

NASA Astrophysics Data System (ADS)

Lee, Siu-Chun

2018-07-01

The solution for scattering by multiple parallel infinite cylinders located in adjacent half spaces with dissimilar refractive index is presented in this paper. The incident radiation is an arbitrarily polarized plane wave propagating in the upper half space in the plane perpendicular to the axis of the cylinders. The formulation of the electromagnetic field vectors utilized Hertz potentials that are expressed in terms of an expansion of cylindrical wave functions. It accounts for the near-field multiple scattering, Fresnel effect at the interface, and interaction between cylinders in both half spaces. Analytical formulas are derived for the electromagnetic field and Poynting vector in the far-field. The present solution provides the theoretical framework for deducing the solutions for scattering by cylinders located on either side of an interface irradiated by a propagating or an evanescent incident wave. Deduction of these solutions from the present formulation is demonstrated. Numerical results are presented to illustrate the frustration of total internal reflection and scattering of light beyond the critical angle by nanocylinders located in either or both half spaces.

Bacterial Shifts in Nutrient Solutions Flowing Through Biofilters Used in Tomato Soilless Culture.

PubMed

Renault, David; Déniel, Franck; Vallance, Jessica; Bruez, Emilie; Godon, Jean-Jacques; Rey, Patrice

2017-11-25

In soilless culture, slow filtration is used to eliminate plant pathogenic microorganisms from nutrient solutions. The present study focused on the characterization and the potential functions of microbial communities colonizing the nutrient solutions recycled on slow filters during a whole cultivation season of 7 months in a tomato growing system. Bacterial microflora colonizing the solutions before and after they flew through the columns were studied. Two filters were amended with Pseudomonas putida (P-filter) or Bacillus cereus strains (B-filter), and a third filter was a control (C-filter). Biological activation of filter unit through bacterial amendment enhanced very significantly filter efficacy against plant potential pathogens Pythium spp. and Fusarium oxysporum. However, numerous bacteria (10 3 -10 4  CFU/mL) were detected in the effluent solutions. The community-level physiological profiling indicated a temporal shift of bacterial microflora, and the metabolism of nutrient solutions originally oriented towards carbohydrates progressively shifted towards degradation of amino acids and carboxylic acids over the 7-month period of experiment. Single-strand conformation polymorphism fingerprinting profiles showed that a shift between bacterial communities colonizing influent and effluent solutions of slow filters occurred. In comparison with influent, 16S rDNA sequencing revealed that phylotype diversity was low in the effluent of P- and C-filters, but no reduction was observed in the effluent of the B-filter. Suppressive potential of solutions filtered on a natural filter (C-filter), where the proportion of Proteobacteria (α- and β-) increased, whereas the proportion of uncultured candidate phyla rose in P- and B-filters, is discussed.

Peridynamic thermal diffusion

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

Oterkus, Selda; Madenci, Erdogan, E-mail: madenci@email.arizona.edu; Agwai, Abigail

This study presents the derivation of ordinary state-based peridynamic heat conduction equation based on the Lagrangian formalism. The peridynamic heat conduction parameters are related to those of the classical theory. An explicit time stepping scheme is adopted for numerical solution of various benchmark problems with known solutions. It paves the way for applying the peridynamic theory to other physical fields such as neutronic diffusion and electrical potential distribution.

PRESENTATION--PPCPS: OVERVIEW OF SOURCES, ENVIRONMENTAL IMPACTS, AND SOLUTIONS

EPA Science Inventory

This presentation briefly summarizes some of what is known and not known about the occurrence of drugs in the environment, the potential for chronic effects on wildlife (and some instances of acute effects), the relevance of drug residues in drinking water to consumer risk percep...

DbMap: improving database interoperability issues in medical software using a simple, Java-Xml based solution.

PubMed Central

Karadimas, H.; Hemery, F.; Roland, P.; Lepage, E.

2000-01-01

In medical software development, the use of databases plays a central role. However, most of the databases have heterogeneous encoding and data models. To deal with these variations in the application code directly is error-prone and reduces the potential reuse of the produced software. Several approaches to overcome these limitations have been proposed in the medical database literature, which will be presented. We present a simple solution, based on a Java library, and a central Metadata description file in XML. This development approach presents several benefits in software design and development cycles, the main one being the simplicity in maintenance. PMID:11079915

An Effective Approach to Teaching Electrochemistry.

ERIC Educational Resources Information Center

Birss, Viola I.; Truax, D. Rodney

1990-01-01

An approach which may be useful for teaching electrochemistry in freshman college chemistry courses is presented. Discussed are the potential problems with teaching this subject and solutions provided by this approach. (CW)

Electrogenerated chemiluminescence. 59. Rhenium complexes

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

Richter, M.M.; Debad, J.D.; Bard, A.J.

Re(L)(CO){sub 3}Cl complexes (where L is 1,10-phenanthroline, 2,2`-bipyridine, or a phenanthroline or bipyridine derivative containing methyl groups) are photoluminescent in fluid solution at room temperature. In acetonitrile solutions, these complexes display one chemically reversible one-electron reduction process and one chemically irreversible oxidation process. {lambda}{sub max} for the luminescence is dependent on the nature of L, and a linear relationship between {lambda}{sub max} and the difference in electrode potentials for oxidation and reduction is evident. Electrogenerated chemiluminescence (ECL) was observed in acetonitrile solutions of these complexes (Bu{sub 4}NPF{sub 6} as electrolyte) by stepping the potential of a Pt disk working electrodemore » between potentials sufficient to form the radical anionic and cationic species. The relative amount of light produced during the anodic and cathodic pulses was dependent on the potential limits and pulse duration. ECL was also generated in the presence of coreactants, i.e., with tri-n-propylamine upon stepping the potential sufficiently positive to form the deprotonated tri-n-propylamine radical and the cationic rhenium(II) species Re{sup II}(L)(CO){sub 3}Cl{sup +}. When S{sub 2}O{sub 8}{sup 2-} was present in solution, ECL was also observed for all of the complexes upon stepping to potentials sufficient to form (Re{sup I}(L)(CO){sub 3}Cl){sup -} and the strong oxidant SO{sub 4}{sup .-}. 44 refs., 8 figs.« less

Three-dimensional coupled thermoelastodynamic stress and flux induced wave propagation for isotropic half-space with scalar potential functions

NASA Astrophysics Data System (ADS)

Hayati, Yazdan; Eskandari-Ghadi, Morteza

2018-02-01

An asymmetric three-dimensional thermoelastodynamic wave propagation with scalar potential functions is presented for an isotropic half-space, in such a way that the wave may be originated from an arbitrary either traction or heat flux applied on a patch at the free surface of the half-space. The displacements, stresses and temperature are presented within the framework of Biot's coupled thermoelasticity formulations. By employing a complete representation for the displacement and temperature fields in terms of two scalar potential functions, the governing equations of coupled thermoelasticity are uncoupled into a sixth- and a second-order partial differential equation in cylindrical coordinate system. By virtue of Fourier expansion and Hankel integral transforms, the angular and radial variables are suppressed respectively, and a 6{th}- and a 2{nd}-order ordinary differential equation in terms of depth are received, which are solved readily, from which the displacement, stresses and temperature fields are derived in transformed space by satisfying both the regularity and boundary conditions. By applying the inverse Hankel integral transforms, the displacements and temperature are numerically evaluated to determine the solutions in the real space. The numerical evaluations are done for three specific cases of vertical and horizontal time-harmonic patch traction and a constant heat flux passing through a circular disc on the surface of the half-space. It has been previously proved that the potential functions used in this paper are applicable from elastostatics to thermoelastodynamics. Thus, the analytical solutions presented in this paper are verified by comparing the results of this study with two specific problems reported in the literature, which are an elastodynamic problem and an axisymmetric quasi-static thermoelastic problem. To show the accuracy of numerical results, the solution of this study is also compared with the solution for elastodynamics exists in the literature for surface excitation, where a very good agreement is achieved. The formulations presented in this study may be used as benchmark for other related researches and it may be implemented in the related boundary integral equations.

Analytical and numerical solutions of the potential and electric field generated by different electrode arrays in a tumor tissue under electrotherapy.

PubMed

Bergues Pupo, Ana E; Reyes, Juan Bory; Bergues Cabrales, Luis E; Bergues Cabrales, Jesús M

2011-09-24

Electrotherapy is a relatively well established and efficient method of tumor treatment. In this paper we focus on analytical and numerical calculations of the potential and electric field distributions inside a tumor tissue in a two-dimensional model (2D-model) generated by means of electrode arrays with shapes of different conic sections (ellipse, parabola and hyperbola). Analytical calculations of the potential and electric field distributions based on 2D-models for different electrode arrays are performed by solving the Laplace equation, meanwhile the numerical solution is solved by means of finite element method in two dimensions. Both analytical and numerical solutions reveal significant differences between the electric field distributions generated by electrode arrays with shapes of circle and different conic sections (elliptic, parabolic and hyperbolic). Electrode arrays with circular, elliptical and hyperbolic shapes have the advantage of concentrating the electric field lines in the tumor. The mathematical approach presented in this study provides a useful tool for the design of electrode arrays with different shapes of conic sections by means of the use of the unifying principle. At the same time, we verify the good correspondence between the analytical and numerical solutions for the potential and electric field distributions generated by the electrode array with different conic sections.

Thermodynamics of new black hole solutions in the Einstein-Maxwell-dilaton gravity

NASA Astrophysics Data System (ADS)

Dehghani, M.

In the present work, thermodynamics of the new black hole solutions to the four-dimensional Einstein-Maxwell-dilaton gravity theory have been studied. The dilaton potential, as the solution to the scalar field equations, has been constructed out by a linear combination of three Liouville-type potentials. Three new classes of charged dilatonic black hole solutions, as the exact solutions to the coupled equations of gravitational, electromagnetic and scalar fields, have been introduced. The conserved charge and mass of the new black holes have been calculated by utilizing Gauss's electric law and Abbott-Deser mass proposal, respectively. Also, the temperature, entropy and the electric potential of these new classes of charged dilatonic black holes have been calculated, making use of the geometrical approaches. Through a Smarr-type mass formula, the intensive parameters of the black holes have been calculated and validity of the first law of black hole thermodynamics has been confirmed. A thermal stability or phase transition analysis has been performed, making use of the canonical ensemble method. The heat capacity of the new black holes has been calculated and the points of type one- and type two-phase transitions as well as the ranges at which the new charged dilatonic black holes are locally stable have been determined, precisely.

Efficient solution of 3D electromagnetic eddy-current problems within the finite volume framework of OpenFOAM

NASA Astrophysics Data System (ADS)

Beckstein, Pascal; Galindo, Vladimir; Vukčević, Vuko

2017-09-01

Eddy-current problems occur in a wide range of industrial and metallurgical applications where conducting material is processed inductively. Motivated by realising coupled multi-physics simulations, we present a new method for the solution of such problems in the finite volume framework of foam-extend, an extended version of the very popular OpenFOAM software. The numerical procedure involves a semi-coupled multi-mesh approach to solve Maxwell's equations for non-magnetic materials by means of the Coulomb gauged magnetic vector potential A and the electric scalar potential ϕ. The concept is further extended on the basis of the impressed and reduced magnetic vector potential and its usage in accordance with Biot-Savart's law to achieve a very efficient overall modelling even for complex three-dimensional geometries. Moreover, we present a special discretisation scheme to account for possible discontinuities in the electrical conductivity. To complement our numerical method, an extensive validation is completing the paper, which provides insight into the behaviour and the potential of our approach.

Non-classical and potential symmetry analysis of Richard's equation for moisture flow in soil

NASA Astrophysics Data System (ADS)

Wiltshire, Ron; El-Kafri, Manal

2004-01-01

This paper focuses upon the derivation of the non-classical symmetries of Bluman and Cole as they apply to Richard's equation for water flow in an unsaturated uniform soil. It is shown that the determining equations for the non-classical case lead to four highly non-linear equations which have been solved in five particular cases. In each case the corresponding similarity ansatz has been derived and Richard's equation is reduced to an ordinary differential equation. Explicit solutions are produced when possible. Richard's equation is also expressed as a potential system and in reviewing the classical Lie solutions a new symmetry is derived together with its similarity ansatz. Determining equations are then produced for the potential system using the non-classical algorithm. This results in an under-determined set of equations and an example symmetry that reveals a missing classical case is presented. An example of a classical and a non-classical symmetry reduction applied to the infiltration of moisture in soil is presented. The condition for surface invariance is used to demonstrate the equivalence of a classical Lie and a potential symmetry.

Investigation on nonautonomous soliton management in generalized external potentials via dispersion and nonlinearity

NASA Astrophysics Data System (ADS)

Vijayalekshmi, S.; Mani Rajan, M. S.; Mahalingam, A.; Uthayakumar, A.

2015-09-01

We investigate the controllable behavior of nonautonomous soliton in external potentials with variable dispersion and nonlinearity management functions, which describes the propagation of optical pulses in an inhomogeneous fiber system. We derive the Lax pair with a variable spectral parameter and the exact multi-soliton solution is generated via Darboux transformation. Based on these solutions, several novel optical solitons are constructed by selecting appropriate functions and the main evolution features of these waves are shown by some interesting figures with computer simulation. As few examples, breathers in periodic potential, soliton compression in an exponentially dispersion decreasing fiber and interaction of boomerang solitons are discussed. The presented results have applications in the study of nonautonomous soliton birefringence-managed switching architecture. These results are potentially useful in the management of nonautonomous soliton with external potentials in the optical soliton communications and long-haul telecommunication networks.

An energy and potential enstrophy conserving scheme for the shallow water equations. [orography effects on atmospheric circulation

NASA Technical Reports Server (NTRS)

Arakawa, A.; Lamb, V. R.

1979-01-01

A three-dimensional finite difference scheme for the solution of the shallow water momentum equations which accounts for the conservation of potential enstrophy in the flow of a homogeneous incompressible shallow atmosphere over steep topography as well as for total energy conservation is presented. The scheme is derived to be consistent with a reasonable scheme for potential vorticity advection in a long-term integration for a general flow with divergent mass flux. Numerical comparisons of the characteristics of the present potential enstrophy-conserving scheme with those of a scheme that conserves potential enstrophy only for purely horizontal nondivergent flow are presented which demonstrate the reduction of computational noise in the wind field with the enstrophy-conserving scheme and its convergence even in relatively coarse grids.

A vortex wake capturing method for potential flow calculations

NASA Technical Reports Server (NTRS)

Murman, E. M.; Stremel, P. M.

1982-01-01

A method is presented for modifying finite difference solutions of the potential equation to include the calculation of non-planar vortex wake features. The approach is an adaptation of Baker's 'cloud in cell' algorithm developed for the stream function-vorticity equations. The vortex wake is tracked in a Lagrangian frame of reference as a group of discrete vortex filaments. These are distributed to the Eulerian mesh system on which the velocity is calculated by a finite difference solution of the potential equation. An artificial viscosity introduced by the finite difference equations removes the singular nature of the vortex filaments. Computed examples are given for the two-dimensional time dependent roll-up of vortex wakes generated by wings with different spanwise loading distributions.

Single Airfoil Gust Response Problem: Category 3, Problem 1

NASA Technical Reports Server (NTRS)

Scott, James R.

2004-01-01

An unsteady aerodynamic code, called GUST3D (ref. 3), has been developed to solve equation (8) for flows with periodic vortical disturbances. The code uses a frequency-domain approach with second-order central differences and a pressure radiation condition in the far field. GUST3D requires as input certain mean flow quantities which are calculated separately by a potential flow solver. The solver calculates the mean ow using a Gothert's Rule approximation (ref. 3). On the airfoil surface, it uses the solution calculated by the potential code FLO36 (ref. 4). Figures 1-2 show the mean pressure along the airfoil surface for the two airfoil geometries. In Figures 3 - 8, we present the RMS pressure on the airfoil surface. Each figure shows three GUST3D solutions (calculated on grids with different far-field boundary locations). Three solutions are shown to provide some indication of the numerical uncertainty in the results. Figures 9 - 13 present the acoustic intensity. We again show three solutions per case. Note that no results are presented for the k1 = k2 = 2.0 loaded airfoil case, as an acceptable solution could not be obtained. A few comments need to be made about the results shown. First, since the last Workshop, the GUST3D code has been substantially upgraded. This includes implementing a more accurate far-field boundary condition (ref. 5) and developing improved gridding capabilities. This is the reason for any differences that may exist between the present results and results from the last Workshop. Second, the intensity results on the circle R = 4C were obtained using a Kirchoff method (ref. 6). The Kirchoff surface was the circle R = 2C. Finally, the GUST3D code is most accurate for low reduced frequencies. A new domain decomposition approach (ref. 7) has been developed to improve accuracy. Both the single domain and domain decomposition approaches were used in generating the present results.

A new approach for solving the three-dimensional steady Euler equations. I - General theory

NASA Technical Reports Server (NTRS)

Chang, S.-C.; Adamczyk, J. J.

1986-01-01

The present iterative procedure combines the Clebsch potentials and the Munk-Prim (1947) substitution principle with an extension of a semidirect Cauchy-Riemann solver to three dimensions, in order to solve steady, inviscid three-dimensional rotational flow problems in either subsonic or incompressible flow regimes. This solution procedure can be used, upon discretization, to obtain inviscid subsonic flow solutions in a 180-deg turning channel. In addition to accurately predicting the behavior of weak secondary flows, the algorithm can generate solutions for strong secondary flows and will yield acceptable flow solutions after only 10-20 outer loop iterations.

A new approach for solving the three-dimensional steady Euler equations. I - General theory

NASA Astrophysics Data System (ADS)

Chang, S.-C.; Adamczyk, J. J.

1986-08-01

The present iterative procedure combines the Clebsch potentials and the Munk-Prim (1947) substitution principle with an extension of a semidirect Cauchy-Riemann solver to three dimensions, in order to solve steady, inviscid three-dimensional rotational flow problems in either subsonic or incompressible flow regimes. This solution procedure can be used, upon discretization, to obtain inviscid subsonic flow solutions in a 180-deg turning channel. In addition to accurately predicting the behavior of weak secondary flows, the algorithm can generate solutions for strong secondary flows and will yield acceptable flow solutions after only 10-20 outer loop iterations.

Direct solution of the H(1s)-H + long-range interaction problem in momentum space

NASA Astrophysics Data System (ADS)

Koga, Toshikatsu

1985-02-01

Perturbation equations for the H(1s)-H+ long-range interaction are solved directly in momentum space up to the fourth order with respect to the reciprocal of the internuclear distance. As in the hydrogen atom problem, the Fock transformation is used which projects the momentum vector of an electron from the three-dimensional hyperplane onto the four-dimensional hypersphere. Solutions are given as linear combinations of several four-dimensional spherical harmonics. The present results add an example to the momentum-space solution of the nonspherical potential problem.

Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.

PubMed

Yang, Mingjun; Huang, Jing; MacKerell, Alexander D

2015-06-09

Replica exchange (REX) is a powerful computational tool for overcoming the quasi-ergodic sampling problem of complex molecular systems. Recently, several multidimensional extensions of this method have been developed to realize exchanges in both temperature and biasing potential space or the use of multiple biasing potentials to improve sampling efficiency. However, increased computational cost due to the multidimensionality of exchanges becomes challenging for use on complex systems under explicit solvent conditions. In this study, we develop a one-dimensional (1D) REX algorithm to concurrently combine the advantages of overall enhanced sampling from Hamiltonian solute scaling and the specific enhancement of collective variables using Hamiltonian biasing potentials. In the present Hamiltonian replica exchange method, termed HREST-BP, Hamiltonian solute scaling is applied to the solute subsystem, and its interactions with the environment to enhance overall conformational transitions and biasing potentials are added along selected collective variables associated with specific conformational transitions, thereby balancing the sampling of different hierarchical degrees of freedom. The two enhanced sampling approaches are implemented concurrently allowing for the use of a small number of replicas (e.g., 6 to 8) in 1D, thus greatly reducing the computational cost in complex system simulations. The present method is applied to conformational sampling of two nitrogen-linked glycans (N-glycans) found on the HIV gp120 envelope protein. Considering the general importance of the conformational sampling problem, HREST-BP represents an efficient procedure for the study of complex saccharides, and, more generally, the method is anticipated to be of general utility for the conformational sampling in a wide range of macromolecular systems.

Resonances in piecewise potentials and Supersymmetric Quantum Mechanics (SUSY-QM) for the construction of optical potentials

NASA Astrophysics Data System (ADS)

Orozco Cortés, Luis Fernando; Fernández García, Nicolás

2014-05-01

A method to obtain the general solution of any constant piecewise potential is presented, this is achieved by means of the analysis of the transfer matrices in each cutoff. The resonance phenomenon together with the supersymmetric quantum mechanics technique allow us to construct a wide family of complex potentials which can be used as theoretical models for optical systems. The method is applied to the particular case for which the potential function has six cutoff points.

Extended resolvent and inverse scattering with an application to KPI

NASA Astrophysics Data System (ADS)

Boiti, M.; Pempinelli, F.; Pogrebkov, A. K.; Prinari, B.

2003-08-01

We present in detail an extended resolvent approach for investigating linear problems associated to 2+1 dimensional integrable equations. Our presentation is based as an example on the nonstationary Schrödinger equation with potential being a perturbation of the one-soliton potential by means of a decaying two-dimensional function. Modification of the inverse scattering theory as well as properties of the Jost solutions and spectral data as follows from the resolvent approach are given.

Characterizing the Shape of Anatomical Structures With Poisson’s Equation

PubMed Central

Haidar, Haissam; Levitt, James J.; McCarley, Robert W.; Shenton, Martha E.; Soul, Janet S.

2009-01-01

Poisson’s equation, a fundamental partial differential equation in classical physics, has a number of properties that are interesting for shape analysis. In particular, the equipotential sets of the solution graph become smoother as the potential increases. We use the displacement map, the length of the streamlines formed by the gradient field of the solution, to measure the “complexity” (or smoothness) of the equipotential sets, and study its behavior as the potential increases. We believe that this function complexity = f (potential), which we call the shape characteristic, is a very natural way to express shape. Robust algorithms are presented to compute the solution to Poisson’s equation, the displacement map, and the shape characteristic. We first illustrate our technique on two-dimensional synthetic examples and natural silhouettes. We then perform two shape analysis studies on three-dimensional neuroanatomical data extracted from magnetic resonance (MR) images of the brain. In the first study, we investigate changes in the caudate nucleus in Schizotypal Personality Disorder (SPD) and confirm previously published results on this structure [1]. In the second study, we present a data set of caudate nuclei of premature infants with asymmetric white matter injury. Our method shows structural shape differences that volumetric measurements were unable to detect. PMID:17024829

A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case

DOE PAGES

Xiao, Tiejun; Song, Xueyu

2017-03-28

We developed a molecular Debye-Hückel theory for electrolyte solutions with size asymmetry, where the dielectric response of an electrolyte solution is described by a linear combination of Debye-Hückel-like response modes. Furthermore, as the size asymmetry of an electrolyte solution leads to a charge imbalanced border zone around a solute, the dielectric response to the solute is characterized by two types of charge sources, namely, a bare solute charge and a charge distribution due to size asymmetry. These two kinds of charge sources are screened by the solvent differently, our theory presents a method to calculate the mean electric potential asmore » well as the electrostatic contributions to thermodynamic properties. Finally, the theory was successfully applied to binary as well as multi-component primitive models of electrolyte solutions.« less

Impact of potential fermentation inhibitors present in sweet sorghum sugar solutions

USDA-ARS?s Scientific Manuscript database

In this work, the fermentation of the sweet sorghum sugars sucrose, glucose, and fructose to ethanol was studied in the presence of acetic, lactic and aconitic acid, which are present in the juice or produced by microorganisms during prolonged storage of harvested materials or juice. An industrial s...

Sex differences in event-related potential components during the solution of complex mental rotation tasks.

PubMed

Jaušovec, Norbert

2012-04-18

The objective of the study was to evaluate the factor of sex in terms of its influence on event-related potential components during the solution of a complex mental rotation task. To evaluate the factor of sex, independent of differences in ability levels and hormonal changes, women and men were equalized with respect to general intelligence and spatial ability. In addition, all women were tested during the low-estrogen phase of the menstrual cycle. The event-related potential analysis indicated that men showed shorter P3 and longer P1 latencies, as well as lower N1 amplitudes. These results suggest that men devoted more time to the analysis of irrelevant information presented in the rotation tasks, which resulted in mental rotation taking place earlier in men than in women. It can be concluded that, even though men and women showed similar performances on complex rotation tasks, they differed in their solution processes.

Responding to home maintenance challenge scenarios: the role of selection, optimization, and compensation in aging-in-place.

PubMed

Kelly, Andrew John; Fausset, Cara Bailey; Rogers, Wendy; Fisk, Arthur D

2014-12-01

This study examined potential issues faced by older adults in managing their homes and their proposed solutions for overcoming hypothetical difficulties. Forty-four diverse, independently living older adults (66-85) participated in structured group interviews in which they discussed potential solutions to manage difficulties presented in four scenarios: perceptual, mobility, physical, and cognitive difficulties. The proposed solutions were classified using the Selection, Optimization, and Compensation (SOC) model. Participants indicated they would continue performing most tasks and reported a range of strategies to manage home maintenance challenges. Most participants reported that they would manage home maintenance challenges using compensation; the most frequently mentioned compensation strategy was using tools and technologies. There were also differences across the scenarios: Optimization was discussed most frequently with perceptual and cognitive difficulty scenarios. These results provide insights into supporting older adults' potential needs for aging-in-place and provide evidence of the value of the SOC model in applied research. © The Author(s) 2012.

Focal points and principal solutions of linear Hamiltonian systems revisited

NASA Astrophysics Data System (ADS)

Šepitka, Peter; Šimon Hilscher, Roman

2018-05-01

In this paper we present a novel view on the principal (and antiprincipal) solutions of linear Hamiltonian systems, as well as on the focal points of their conjoined bases. We present a new and unified theory of principal (and antiprincipal) solutions at a finite point and at infinity, and apply it to obtain new representation of the multiplicities of right and left proper focal points of conjoined bases. We show that these multiplicities can be characterized by the abnormality of the system in a neighborhood of the given point and by the rank of the associated T-matrix from the theory of principal (and antiprincipal) solutions. We also derive some additional important results concerning the representation of T-matrices and associated normalized conjoined bases. The results in this paper are new even for completely controllable linear Hamiltonian systems. We also discuss other potential applications of our main results, in particular in the singular Sturmian theory.

Solution-mediated cladding doping of commercial polymer optical fibers

NASA Astrophysics Data System (ADS)

Stajanca, Pavol; Topolniak, Ievgeniia; Pötschke, Samuel; Krebber, Katerina

2018-03-01

Solution doping of commercial polymethyl methacrylate (PMMA) polymer optical fibers (POFs) is presented as a novel approach for preparation of custom cladding-doped POFs (CD-POFs). The presented method is based on a solution-mediated diffusion of dopant molecules into the fiber cladding upon soaking of POFs in a methanol-dopant solution. The method was tested on three different commercial POFs using Rhodamine B as a fluorescent dopant. The dynamics of the diffusion process was studied in order to optimize the doping procedure in terms of selection of the most suitable POF, doping time and conditions. Using the optimized procedure, longer segment of fluorescent CD-POF was prepared and its performance was characterized. Fiber's potential for sensing and illumination applications was demonstrated and discussed. The proposed method represents a simple and cheap way for fabrication of custom, short to medium length CD-POFs with various dopants.

[Basic Studies on the Stability of Flavored Oral Solutions of Rebamipide].

PubMed

Yajima, Ryo; Imaoka, Futa; Wako, Tetsuya; Kuroda, Yuko; Matsumoto, Kazuaki; Kizu, Junko; Katayama, Shiro

2015-01-01

Stomatitis frequently occurs during chemotherapy and radiotherapy for cancer. Because of its pharmacological properties including anti-inflammatory activity and stimulatory effects on endogenous prostaglandin synthesis, rebamipide has been suggested as a potentially effective treatment against stomatitis. In the present study we tested the stability of oral rebamipide solutions prepared in our hospital pharmacy using sodium alginate as a thickener to increase retention of this agent in the oral cavity, and the addition of different flavoring mixtures intended for use in enteral diets to reduce the bitterness of rebamipide and sodium alginate. Samples of oral rebamipide solution prepared with 13 kinds of flavoring and sodium alginate were evaluated in terms of their appearance, redispersibility, pH, viscosity, and rebamipide content immediately after preparation and 1, 3, 7, and 10 days after storage at room temperature under ambient light or in a cool, dark place. After 10 days of storage, favorable stability was observed in four sample solutions supplemented with green apple, pineapple, yogurt, and tomato flavoring mixtures intended for use in Elental(®) diets. These oral solutions may have potential clinical application.

Unsteady flows in rotor-stator cascades

NASA Astrophysics Data System (ADS)

Lee, Yu-Tai; Bein, Thomas W.; Feng, Jin Z.; Merkle, Charles L.

1991-03-01

A time-accurate potential-flow calculation method has been developed for unsteady incompressible flows through two-dimensional multi-blade-row linear cascades. The method represents the boundary surfaces by distributing piecewise linear-vortex and constant-source singularities on discrete panels. A local coordinate is assigned to each independently moving object. Blade-shed vorticity is traced at each time step. The unsteady Kutta condition applied is nonlinear and requires zero blade trailing-edge loading at each time. Its influence on the solutions depends on the blade trailing-edge shapes. Steady biplane and cascade solutions are presented and compared to exact solutions and experimental data. Unsteady solutions are validated with the Wagner function for an airfoil moving impulsively from rest and the Theodorsen function for an oscillating airfoil. The shed vortex motion and its interaction with blades are calculated and compared to an analytic solution. For multi-blade-row cascade, the potential effect between blade rows is predicted using steady and quasi unsteady calculations. The accuracy of the predictions is demonstrated using experimental results for a one-stage turbine stator-rotor.

Bohm-criterion approximation versus optimal matched solution for a cylindrical probe in radial-motion theory

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

Din, Alif

2016-08-15

The theory of positive-ion collection by a probe immersed in a low-pressure plasma was reviewed and extended by Allen et al. [Proc. Phys. Soc. 70, 297 (1957)]. The numerical computations for cylindrical and spherical probes in a sheath region were presented by F. F. Chen [J. Nucl. Energy C 7, 41 (1965)]. Here, in this paper, the sheath and presheath solutions for a cylindrical probe are matched through a numerical matching procedure to yield “matched” potential profile or “M solution.” The solution based on the Bohm criterion approach “B solution” is discussed for this particular problem. The comparison of cylindricalmore » probe characteristics obtained from the correct potential profile (M solution) and the approximated Bohm-criterion approach are different. This raises questions about the correctness of cylindrical probe theories relying only on the Bohm-criterion approach. Also the comparison between theoretical and experimental ion current characteristics shows that in an argon plasma the ions motion towards the probe is almost radial.« less

Topical HPMC/S-Nitrosoglutathione Solution Decreases Inflammation and Bone Resorption in Experimental Periodontal Disease in Rats

PubMed Central

Martins, Conceição S.; Leitão, Renata F. C.; Costa, Deiziane V. S.; Melo, Iracema M.; Santos, Glaylton S.; Lima, Vilma; Baldim, Victor; Wong, Deysi V. T.; Bonfim, Luana E.; Melo, Cíntia B.; Brito, Gerly A. C.

2016-01-01

S-nitrosoglutathione (GSNO) is a nitric oxide (NO) donor, which exerts antioxidant, anti-inflammatory, and microbicidal actions. Intragingival application of GSNO was already shown to decrease alveolar bone loss, inflammation and oxidative stress in an experimental periodontal disease (EPD) model. In the present study, we evaluated the potential therapeutic effect of topical applications of hydroxypropylmethylcellulose (HPMC)/GSNO solutions on EPD in Wistar rats. EPD was induced by placing a sterilized nylon (3.0) thread ligature around the cervix of the second left upper molar of the animals, which received topical applications of a HPMC solutions containing GSNO 2 or 10 mM or vehicle (HPMC solution), 1 h prior to the placement of the ligature and then twice daily until sacrifice on day 11. Treatment with HPMC/GSNO 10 mM solution significantly reduced alveolar bone loss, oxidative stress and TNF-α e IL-1β levels in the surrounding gingival tissue, and led to a decreased transcription of RANK and TNF-α genes and elevated bone alkaline phosphatase, compared to the HPMC group. In conclusion, topical application of HPMC/GSNO solution is a potential treatment to reduce inflammation and bone loss in periodontal disease. PMID:27116554

Topical HPMC/S-Nitrosoglutathione Solution Decreases Inflammation and Bone Resorption in Experimental Periodontal Disease in Rats.

PubMed

Martins, Conceição S; Leitão, Renata F C; Costa, Deiziane V S; Melo, Iracema M; Santos, Glaylton S; Lima, Vilma; Baldim, Victor; Wong, Deysi V T; Bonfim, Luana E; Melo, Cíntia B; G de Oliveira, Marcelo; Brito, Gerly A C

2016-01-01

S-nitrosoglutathione (GSNO) is a nitric oxide (NO) donor, which exerts antioxidant, anti-inflammatory, and microbicidal actions. Intragingival application of GSNO was already shown to decrease alveolar bone loss, inflammation and oxidative stress in an experimental periodontal disease (EPD) model. In the present study, we evaluated the potential therapeutic effect of topical applications of hydroxypropylmethylcellulose (HPMC)/GSNO solutions on EPD in Wistar rats. EPD was induced by placing a sterilized nylon (3.0) thread ligature around the cervix of the second left upper molar of the animals, which received topical applications of a HPMC solutions containing GSNO 2 or 10 mM or vehicle (HPMC solution), 1 h prior to the placement of the ligature and then twice daily until sacrifice on day 11. Treatment with HPMC/GSNO 10 mM solution significantly reduced alveolar bone loss, oxidative stress and TNF-α e IL-1β levels in the surrounding gingival tissue, and led to a decreased transcription of RANK and TNF-α genes and elevated bone alkaline phosphatase, compared to the HPMC group. In conclusion, topical application of HPMC/GSNO solution is a potential treatment to reduce inflammation and bone loss in periodontal disease.

Space-Pseudo-Time Method: Application to the One-Dimensional Coulomb Potential and Density Funtional Theory

NASA Astrophysics Data System (ADS)

Weatherford, Charles; Gebremedhin, Daniel

2016-03-01

A new and efficient way of evolving a solution to an ordinary differential equation is presented. A finite element method is used where we expand in a convenient local basis set of functions that enforce both function and first derivative continuity across the boundaries of each element. We also implement an adaptive step size choice for each element that is based on a Taylor series expansion. The method is applied to solve for the eigenpairs of the one-dimensional soft-coulomb potential and the hard-coulomb limit is studied. The method is then used to calculate a numerical solution of the Kohn-Sham differential equation within the local density approximation is presented and is applied to the helium atom. Supported by the National Nuclear Security Agency, the Nuclear Regulatory Commission, and the Defense Threat Reduction Agency.

The Poisson-Helmholtz-Boltzmann model.

PubMed

Bohinc, K; Shrestha, A; May, S

2011-10-01

We present a mean-field model of a one-component electrolyte solution where the mobile ions interact not only via Coulomb interactions but also through a repulsive non-electrostatic Yukawa potential. Our choice of the Yukawa potential represents a simple model for solvent-mediated interactions between ions. We employ a local formulation of the mean-field free energy through the use of two auxiliary potentials, an electrostatic and a non-electrostatic potential. Functional minimization of the mean-field free energy leads to two coupled local differential equations, the Poisson-Boltzmann equation and the Helmholtz-Boltzmann equation. Their boundary conditions account for the sources of both the electrostatic and non-electrostatic interactions on the surface of all macroions that reside in the solution. We analyze a specific example, two like-charged planar surfaces with their mobile counterions forming the electrolyte solution. For this system we calculate the pressure between the two surfaces, and we analyze its dependence on the strength of the Yukawa potential and on the non-electrostatic interactions of the mobile ions with the planar macroion surfaces. In addition, we demonstrate that our mean-field model is consistent with the contact theorem, and we outline its generalization to arbitrary interaction potentials through the use of a Laplace transformation. © EDP Sciences / Società Italiana di Fisica / Springer-Verlag 2011

An adaptive random search for short term generation scheduling with network constraints.

PubMed

Marmolejo, J A; Velasco, Jonás; Selley, Héctor J

2017-01-01

This paper presents an adaptive random search approach to address a short term generation scheduling with network constraints, which determines the startup and shutdown schedules of thermal units over a given planning horizon. In this model, we consider the transmission network through capacity limits and line losses. The mathematical model is stated in the form of a Mixed Integer Non Linear Problem with binary variables. The proposed heuristic is a population-based method that generates a set of new potential solutions via a random search strategy. The random search is based on the Markov Chain Monte Carlo method. The main key of the proposed method is that the noise level of the random search is adaptively controlled in order to exploring and exploiting the entire search space. In order to improve the solutions, we consider coupling a local search into random search process. Several test systems are presented to evaluate the performance of the proposed heuristic. We use a commercial optimizer to compare the quality of the solutions provided by the proposed method. The solution of the proposed algorithm showed a significant reduction in computational effort with respect to the full-scale outer approximation commercial solver. Numerical results show the potential and robustness of our approach.

Finite difference methods for the solution of unsteady potential flows

NASA Technical Reports Server (NTRS)

Caradonna, F. X.

1985-01-01

A brief review is presented of various problems which are confronted in the development of an unsteady finite difference potential code. This review is conducted mainly in the context of what is done for a typical small disturbance and full potential methods. The issues discussed include choice of equation, linearization and conservation, differencing schemes, and algorithm development. A number of applications including unsteady three-dimensional rotor calculation, are demonstrated.

A power-law coupled three-form dark energy model

NASA Astrophysics Data System (ADS)

Yao, Yan-Hong; Yan, Yang-Jie; Meng, Xin-He

2018-02-01

We consider a field theory model of coupled dark energy which treats dark energy as a three-form field and dark matter as a spinor field. By assuming the effective mass of dark matter as a power-law function of the three-form field and neglecting the potential term of dark energy, we obtain three solutions of the autonomous system of evolution equations, including a de Sitter attractor, a tracking solution and an approximate solution. To understand the strength of the coupling, we confront the model with the latest Type Ia Supernova, Baryon Acoustic Oscillations and Cosmic Microwave Background radiation observations, with the conclusion that the combination of these three databases marginalized over the present dark matter density parameter Ω _{m0} and the present three-form field κ X0 gives stringent constraints on the coupling constant, - 0.017< λ <0.047 (2σ confidence level), by which we present the model's applicable parameter range.

An exploratory study of a finite difference method for calculating unsteady transonic potential flow

NASA Technical Reports Server (NTRS)

Bennett, R. M.; Bland, S. R.

1979-01-01

A method for calculating transonic flow over steady and oscillating airfoils was developed by Isogai. The full potential equation is solved with a semi-implicit, time-marching, finite difference technique. Steady flow solutions are obtained from time asymptotic solutions for a steady airfoil. Corresponding oscillatory solutions are obtained by initiating an oscillation and marching in time for several cycles until a converged periodic solution is achieved. The method is described in general terms and results for the case of an airfoil with an oscillating flap are presented for Mach numbers 0.500 and 0.875. Although satisfactory results are obtained for some reduced frequencies, it is found that the numerical technique generates spurious oscillations in the indicial response functions and in the variation of the aerodynamic coefficients with reduced frequency. These oscillations are examined with a dynamic data reduction method to evaluate their effects and trends with reduced frequency and Mach number. Further development of the numerical method is needed to eliminate these oscillations.

Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.

PubMed

Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten

2016-08-09

The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of solvated finite-sized ions. We present a general solution scheme for the MPB equation based on a fast function-space-oriented Newton method and a Green's function preconditioned iterative linear solver. In contrast to popular multigrid solvers, this approach allows us to fully exploit specialized integration grids and optimized integration schemes. We describe a corresponding numerically efficient implementation for the full-potential density-functional theory (DFT) code FHI-aims. We show that together with an additional Stern layer correction the DFT+MPB approach can describe the mean activity coefficient of a KCl aqueous solution over a wide range of concentrations. The high sensitivity of the calculated activity coefficient on the employed ionic parameters thereby suggests to use extensively tabulated experimental activity coefficients of salt solutions for a systematic parametrization protocol.

Cyber-Management of People with Chronic Disease: A Potential Solution to eHealth Challenges

ERIC Educational Resources Information Center

Laakso, E-Liisa; Armstrong, Kylie; Usher, Wayne

2012-01-01

The evolving eHealth agenda presents a range of potential opportunities for the management and prevention of chronic disease. This paper identifies issues and barriers to the uptake of eHealth and describes a strategy ("Healthy Outcomes for Australians"[C]-HOFA) for creating a central knowledge filter and cyber space method for tracking…

Characterisation of the protein corona using tunable resistive pulse sensing: determining the change and distribution of a particle's surface charge.

PubMed

Blundell, Emma L C J; Healey, Matthew J; Holton, Elizabeth; Sivakumaran, Muttuswamy; Manstana, Sarabjit; Platt, Mark

2016-08-01

The zeta potential of the protein corona around carboxyl particles has been measured using tunable resistive pulse sensing (TRPS). A simple and rapid assay for characterising zeta potentials within buffer, serum and plasma is presented monitoring the change, magnitude and distribution of proteins on the particle surface. First, we measure the change in zeta potential of carboxyl-functionalised nanoparticles in solutions that contain biologically relevant concentrations of individual proteins, typically constituted in plasma and serum, and observe a significant difference in distributions and zeta values between room temperature and 37 °C assays. The effect is protein dependent, and the largest difference between the two temperatures is recorded for the γ-globulin protein where the mean zeta potential changes from -16.7 to -9.0 mV for 25 and 37 °C, respectively. This method is further applied to monitor particles placed into serum and/or plasma. A temperature-dependent change is again observed with serum showing a 4.9 mV difference in zeta potential between samples incubated at 25 and 37 °C; this shift was larger than that observed for samples in plasma (0.4 mV). Finally, we monitor the kinetics of the corona reorientation for particles initially placed into serum and then adding 5 % (V/V) plasma. The technology presented offers an interesting insight into protein corona structure and kinetics of formation measured in biologically relevant solutions, i.e. high protein, high salt levels, and its particle-by-particle analysis gives a measure of the distribution of particle zeta potential that may offer a better understanding of the behaviour of nanoparticles in solution. Graphical Abstract The relative velocity of a nanoparticle as it traverses a nanopore can be used to determine its zeta potential. Monitoring the changes in translocation speeds can therefore be used to follow changes to the surface chemistry/composition of 210 nm particles that were placed into protein rich solutions, serum and plasma. The particle-by-particle measurements allow the zeta potential and distribution of the particles to be characterised, illustrating the effects of protein concentration and temperature on the protein corona. When placed into a solution containing a mixture of proteins, the affinity of the protein to the particle's surface determines the corona structure, and is not dependent on the protein concentration.

Human Factors Process Task Analysis: Liquid Oxygen Pump Acceptance Test Procedure at the Advanced Technology Development Center

NASA Technical Reports Server (NTRS)

Diorio, Kimberly A.; Voska, Ned (Technical Monitor)

2002-01-01

This viewgraph presentation provides information on Human Factors Process Failure Modes and Effects Analysis (HF PFMEA). HF PFMEA includes the following 10 steps: Describe mission; Define System; Identify human-machine; List human actions; Identify potential errors; Identify factors that effect error; Determine likelihood of error; Determine potential effects of errors; Evaluate risk; Generate solutions (manage error). The presentation also describes how this analysis was applied to a liquid oxygen pump acceptance test.

Negative ion mode evolution of potential buildup and mapping of potential gradients within the electrospray emitter.

PubMed

Pozniak, Boguslaw P; Cole, Richard B

2004-12-01

Differential electrospray emitter potential (DEEP) maps, displaying variations in potential in the electrospray (ES) capillary and in the Taylor cone, have been generated in the negative ion mode of ES operation. In all examples, measured potential was found to be the highest at the points furthest into the Taylor cone, and values descended to zero at distances beyond approximately 15 mm within the ES capillary. In agreement with results obtained previously in the positive ion mode, negative mode data show a strong influence of electrolyte concentration on measured potentials. Weakly conductive solutions exhibited the highest values, and the steepest gradients, at points furthest into the Taylor cone. However, these same low conductivity solutions did not yield nonzero measured potentials to as deep a distance into the ES capillary as was possible from their higher conductivity counterparts. Addition of a readily reducible compound lowered measured potentials at all points near the ES capillary exit, in accordance with the description of the ES device as a controlled-current electrolytic cell. The development of potential inside the ES capillary upon the onset of ES was also studied, and initial results are presented. Potential waves are observed that can require 15 min or longer, to stabilize. The slow drift to steady potentials is evidence of upstream movement of electrochemically-produced species and follow-up reaction products; low conductivity solutions require longer intervals to reach a steady state. Potentials measured along the central ES axis reflect those at the ES capillary surface, although equipotential lines can be considered to be more compressed at the latter surface.

Vectorized schemes for conical potential flow using the artificial density method

NASA Technical Reports Server (NTRS)

Bradley, P. F.; Dwoyer, D. L.; South, J. C., Jr.; Keen, J. M.

1984-01-01

A method is developed to determine solutions to the full-potential equation for steady supersonic conical flow using the artificial density method. Various update schemes used generally for transonic potential solutions are investigated. The schemes are compared for speed and robustness. All versions of the computer code have been vectorized and are currently running on the CYBER-203 computer. The update schemes are vectorized, where possible, either fully (explicit schemes) or partially (implicit schemes). Since each version of the code differs only by the update scheme and elements other than the update scheme are completely vectorizable, comparisons of computational effort and convergence rate among schemes are a measure of the specific scheme's performance. Results are presented for circular and elliptical cones at angle of attack for subcritical and supercritical crossflows.

Measuring three-dimensional interaction potentials using optical interference.

PubMed

Mojarad, Nassir; Sandoghdar, Vahid; Krishnan, Madhavi

2013-04-22

We describe the application of three-dimensional (3D) scattering interferometric (iSCAT) imaging to the measurement of spatial interaction potentials for nano-objects in solution. We study electrostatically trapped gold particles in a nanofluidic device and present details on axial particle localization in the presence of a strongly reflecting interface. Our results demonstrate high-speed (~kHz) particle tracking with subnanometer localization precision in the axial and average 2.5 nm in the lateral dimension. A comparison of the measured levitation heights of trapped particles with the calculated values for traps of various geometries reveals good agreement. Our work demonstrates that iSCAT imaging delivers label-free, high-speed and accurate 3D tracking of nano-objects conducive to probing weak and long-range interaction potentials in solution.

Visualizing the Zero-Potential Line of Bipolar Electrodes with Arbitrary Geometry.

PubMed

Li, Meng; Liu, Shasha; Jiang, Yingyan; Wang, Wei

2018-06-05

In a typical bipolar electrochemistry (BPE) configuration, voltage applied between the two driving electrodes induced a potential drop through solution filled in the microchannel, resulting in an interfacial potential difference between solution and BPE varied along the BPE. In the present work, we employed a recently developed plasmonic imaging technique to map the distribution of surface potential of bipolar electrodes with various geometries including round, triangle, hexagon, star, and rhombus shapes under the nonfaradaic charging process, from which the line of zero potential (LZP) was visualized and determined. We further investigated the dependence of LZP on electrode geometry and the distribution of external electric field and explained the experimental results with a charge balance mechanism. The triangular and star-shaped BPEs show quite different LZP features from the other ones with symmetrical geometry. These experimentally obtained potential distributions are all in good agreement with electromagnetic simulations. Finally, the line of zero overpotential (LZO) of the triangular-shaped BPE under faradaic reactions were investigated. The results confirm the shift of LZO when faradaic reactions occurred at the corresponding ends of BPE. The present work demonstrates the first experimental capability to map the potential distribution of BPE with arbitrary geometry under an arbitrary driving field. It is anticipated to help the design and optimization on the geometry of electrodes and microchannels with implications for boosting their applications in chemical sensing and materials synthesis.

New dual asymmetric CEC linear Fresnel concentrator for evacuated tubular receivers

NASA Astrophysics Data System (ADS)

Canavarro, Diogo; Chaves, Julio; Collares-Pereira, Manuel

2017-06-01

Linear Fresnel Reflector concentrators (LFR) are a potential solution for low-cost electricity production. Nevertheless in order to become more competitive with other CSP (Concentrated Solar Power) technologies, in particular with the Parabolic Trough concentrator, their overall solar to electricity efficiencies must increase. A possible path to achieve this goal is to increase the concentration factor, hence increasing the working temperatures for higher thermodynamic efficiency (more energy collection) and decrease the total number of rows of the solar field (less parasitic losses and corresponding cost reduction). This paper presents a dual asymmetric CEC-type (Compound Elliptical Concentrator) LFR (Linear Fresnel Concentrator) for evacuated tubular receivers. The concentrator is designed for a high concentration factor, presenting an asymmetric configuration enabling a very compact solution. The CEC-type secondary mirror is introduced to accommodate very high concentration values with a wide enough acceptance-angle (augmenting optical tolerances) for simple mechanical tracking solutions, achieving a higher CAP (Concentration Acceptance Product) in comparison with conventional LFR solutions. The paper presents an optical and thermal analysis of the concentrator using two different locations, Faro (Portugal) and Hurghada (Egypt).

Haemocompatibility and ion exchange capability of nanocellulose polypyrrole membranes intended for blood purification

PubMed Central

Ferraz, Natalia; Carlsson, Daniel O.; Hong, Jaan; Larsson, Rolf; Fellström, Bengt; Nyholm, Leif; Strømme, Maria; Mihranyan, Albert

2012-01-01

Composites of nanocellulose and the conductive polymer polypyrrole (PPy) are presented as candidates for a new generation of haemodialysis membranes. The composites may combine active ion exchange with passive ultrafiltration, and the large surface area (about 80 m2 g−1) could potentially provide compact dialysers. Herein, the haemocompatibility of the novel membranes and the feasibility of effectively removing small uraemic toxins by potential-controlled ion exchange were studied. The thrombogenic properties of the composites were improved by applying a stable heparin coating. In terms of platelet adhesion and thrombin generation, the composites were comparable with haemocompatible polymer polysulphone, and regarding complement activation, the composites were more biocompatible than commercially available membranes. It was possible to extract phosphate and oxalate ions from solutions with physiological pH and the same tonicity as that of the blood. The exchange capacity of the materials was found to be 600 ± 26 and 706 ± 31 μmol g−1 in a 0.1 M solution (pH 7.4) and in an isotonic solution of phosphate, respectively. The corresponding values with oxalate were 523 ± 5 in a 0.1 M solution (pH 7.4) and 610 ± 1 μmol g−1 in an isotonic solution. The heparinized PPy–cellulose composite is consequently a promising haemodialysis material, with respect to both potential-controlled extraction of small uraemic toxins and haemocompatibility. PMID:22298813

Analytical and numerical solutions of the potential and electric field generated by different electrode arrays in a tumor tissue under electrotherapy

PubMed Central

2011-01-01

Background Electrotherapy is a relatively well established and efficient method of tumor treatment. In this paper we focus on analytical and numerical calculations of the potential and electric field distributions inside a tumor tissue in a two-dimensional model (2D-model) generated by means of electrode arrays with shapes of different conic sections (ellipse, parabola and hyperbola). Methods Analytical calculations of the potential and electric field distributions based on 2D-models for different electrode arrays are performed by solving the Laplace equation, meanwhile the numerical solution is solved by means of finite element method in two dimensions. Results Both analytical and numerical solutions reveal significant differences between the electric field distributions generated by electrode arrays with shapes of circle and different conic sections (elliptic, parabolic and hyperbolic). Electrode arrays with circular, elliptical and hyperbolic shapes have the advantage of concentrating the electric field lines in the tumor. Conclusion The mathematical approach presented in this study provides a useful tool for the design of electrode arrays with different shapes of conic sections by means of the use of the unifying principle. At the same time, we verify the good correspondence between the analytical and numerical solutions for the potential and electric field distributions generated by the electrode array with different conic sections. PMID:21943385

An induced current method for measuring zeta potential of electrolyte solution-air interface.

PubMed

Song, Yongxin; Zhao, Kai; Wang, Junsheng; Wu, Xudong; Pan, Xinxiang; Sun, Yeqing; Li, Dongqing

2014-02-15

This paper reports a novel and very simple method for measuring the zeta potential of electrolyte solution-air interface. When a measuring electrode contacts the electrolyte solution-air interface, an electrical current will be generated due to the potential difference between the electrode-air surface and the electrolyte solution-air interface. The amplitude of the measured electric signal is linearly proportional to this potential difference; and depends only on the zeta potential at the electrolyte solution-air interface, regardless of the types and concentrations of the electrolyte. A correlation between the zeta potential and the measured voltage signal is obtained based on the experimental data. Using this equation, the zeta potential of any electrolyte solution-air interface can be evaluated quickly and easily by inserting an electrode through the electrolyte solution-air interface and measuring the electrical signal amplitude. This method was verified by comparing the obtained results of NaCl, MgCl2 and CaCl2 solutions of different pH values and concentrations with the zeta potential data reported in the published journal papers. Copyright © 2013 Elsevier Inc. All rights reserved.

Guidelines for Computing Longitudinal Dynamic Stability Characteristics of a Subsonic Transport

NASA Technical Reports Server (NTRS)

Thompson, Joseph R.; Frank, Neal T.; Murphy, Patrick C.

2010-01-01

A systematic study is presented to guide the selection of a numerical solution strategy for URANS computation of a subsonic transport configuration undergoing simulated forced oscillation about its pitch axis. Forced oscillation is central to the prevalent wind tunnel methodology for quantifying aircraft dynamic stability derivatives from force and moment coefficients, which is the ultimate goal for the computational simulations. Extensive computations are performed that lead in key insights of the critical numerical parameters affecting solution convergence. A preliminary linear harmonic analysis is included to demonstrate the potential of extracting dynamic stability derivatives from computational solutions.

Study of the geodesic equations of a spherical symmetric spacetime in conformal Weyl gravity

NASA Astrophysics Data System (ADS)

Hoseini, Bahareh; Saffari, Reza; Soroushfar, Saheb

2017-03-01

A set of analytic solutions of the geodesic equation in a spherical conformal spacetime is presented. Solutions of this geodesics can be expressed in terms of the Weierstrass \\wp function and the Kleinian σ function. Using conserved energy and angular momentum we can characterize the different orbits. Also, considering parametric diagrams and effective potentials, we plot some possible orbits. Moreover, with the help of analytical solutions, we investigate the light deflection for such an escape orbit. Finally, by using periastron advance we get to an upper bound for magnitude of γ.

Enzyme stabilization by glass-derived silicates in glass-exposed aqueous solutions

USGS Publications Warehouse

Ives, J.A.; Moffett, J.R.; Arun, P.; Lam, D.; Todorov, T.I.; Brothers, A.B.; Anick, D.J.; Centeno, J.; Namboodiri, M.A.A.; Jonas, W.B.

2010-01-01

Objectives: To analyze the solutes leaching from glass containers into aqueous solutions, and to show that these solutes have enzyme activity stabilizing effects in very dilute solutions. Methods: Enzyme assays with acetylcholine esterase were used to analyze serially succussed and diluted (SSD) solutions prepared in glass and plastic containers. Aqueous SSD preparations starting with various solutes, or water alone, were prepared under several conditions, and tested for their solute content and their ability to affect enzyme stability in dilute solution. Results: We confirm that water acts to dissolve constituents from glass vials, and show that the solutes derived from the glass have effects on enzymes in the resultant solutions. Enzyme assays demonstrated that enzyme stability in purified and deionized water was enhanced in SSD solutions that were prepared in glass containers, but not those prepared in plastic. The increased enzyme stability could be mimicked in a dose-dependent manner by the addition of silicates to the purified, deionized water that enzymes were dissolved in. Elemental analyses of SSD water preparations made in glass vials showed that boron, silicon, and sodium were present at micromolar concentrations. Conclusions: These results show that silicates and other solutes are present at micromolar levels in all glass-exposed solutions, whether pharmaceutical or homeopathic in nature. Even though silicates are known to have biological activity at higher concentrations, the silicate concentrations we measured in homeopathic preparations were too low to account for any purported in vivo efficacy, but could potentially influence in vitro biological assays reporting homeopathic effects. ?? 2009 The Faculty of Homeopathy.

Outside the Lines: Issues in Interdisciplinary Research.

ERIC Educational Resources Information Center

Glasberg, Ronald

1997-01-01

Reviews book that explores the nature and potential of interdisciplinary research. Presents not only a history of both disciplinarity and interdisciplinarity but also a review of the major problems confronting interdisciplinary research and some possible solutions. (VWC)

ELECTROCHEMICAL DECHLORINATIONOF 2-CHLOROBIPHENYL IN AQUEOUS SOLUTION

EPA Science Inventory

This paper presents electrochemical dechlorination of 2-chlorobiphenyl (2-CI BP) in aqueous environment using palladium modified granular graphite electrodes. 2-CI BP, the PCB congener that requires the highest reduction potential, was effectively dechlorinated in electrochemical...

ELECTROCHEMICAL DECHLORINATION OF 2-CHLOROBIPHENYL IN AQUEOUS SOLUTION

EPA Science Inventory

This paper presents electrochemical dechlorination of 2-chlorobiphenyl (2-Cl BP) in aqueous environment using palladium modified granular graphite electrodes. 2-Cl BP, the PCB congener that requires the highest reduction potential, was effectively dechlorinated in electrochemical...

Nonisentropic unsteady three dimensional small disturbance potential theory

NASA Technical Reports Server (NTRS)

Gibbons, M. D.; Whitlow, W., Jr.; Williams, M. H.

1986-01-01

Modifications that allow for more accurate modeling of flow fields when strong shocks are present were made into three dimensional transonic small disturbance (TSD) potential theory. The Engquist-Osher type-dependent differencing was incorporated into the solution algorithm. The modified theory was implemented in the XTRAN3S computer code. Steady flows over a rectangular wing with a constant NACA 0012 airfoil section and an aspect ratio of 12 were calculated for freestream Mach numbers (M) of 0.82, 0.84, and 0.86. The obtained results are compared using the modified and unmodified TSD theories and the results from a three dimensional Euler code are presented. Nonunique solutions in three dimensions are shown to appear for the rectangular wing as aspect ratio increases. Steady and unsteady results are shown for the RAE tailplane model at M = 0.90. Calculations using unmodified theory, modified theory and experimental data are compared.

The Electric Potential of a Macromolecule in a Solvent: A Fundamental Approach

NASA Astrophysics Data System (ADS)

Juffer, André H.; Botta, Eugen F. F.; van Keulen, Bert A. M.; van der Ploeg, Auke; Berendsen, Herman J. C.

1991-11-01

A general numerical method is presented to compute the electric potential for a macromolecule of arbitrary shape in a solvent with nonzero ionic strength. The model is based on a continuum description of the dielectric and screening properties of the system, which consists of a bounded internal region with discrete charges and an infinite external region. The potential obeys the Poisson equation in the internal region and the linearized Poisson-Boltzmann equation in the external region, coupled through appropriate boundary conditions. It is shown how this three-dimensional problem can be presented as a pair of coupled integral equations for the potential and the normal component of the electric field at the dielectric interface. These equations can be solved by a straightforward application of boundary element techniques. The solution involves the decomposition of a matrix that depends only on the geometry of the surface and not on the positions of the charges. With this approach the number of unknowns is reduced by an order of magnitude with respect to the usual finite difference methods. Special attention is given to the numerical inaccuracies resulting from charges which are located close to the interface; an adapted formulation is given for that case. The method is tested both for a spherical geometry, for which an exact solution is available, and for a realistic problem, for which a finite difference solution and experimental verification is available. The latter concerns the shift in acid strength (pK-values) of histidines in the copper-containing protein azurin on oxidation of the copper, for various values of the ionic strength. A general method is given to triangulate a macromolecular surface. The possibility is discussed to use the method presented here for a correct treatment of long-range electrostatic interactions in simulations of solvated macromolecules, which form an essential part of correct potentials of mean force.

Two kissing bolts

NASA Astrophysics Data System (ADS)

Bossard, Guillaume; Katmadas, Stefanos; Turton, David

2018-02-01

The study of non-supersymmetric black hole microstates offers the potential to resolve the black hole information paradox. A system of equations was recently obtained that enables the systematic construction of non-supersymmetric smooth horizonless supergravity solutions, that are candidates to describe microstates of non-extremal black holes. Within this system we construct a family of six-dimensional supergravity solutions that feature two topologically-nontrivial three-cycles known as bolts. The two bolts touch at a single point and are supported by fluxes. We find that the fluxes on the two three-cycles can be either aligned or anti-aligned, and exhibit examples of both. We present several examples of smooth solutions, including near-extremal solutions that have an approximate AdS3 region, and far-from extremal solutions that have arbitrarily small charge compared to their mass.

U.S. News Media Coverage of Pharmaceutical Pollution in the Aquatic Environment: A Content Analysis of the Problems and Solutions Presented by Actors.

PubMed

Blair, Benjamin; Zimny-Schmitt, Daniel; Rudd, Murray A

2017-08-01

Pharmaceutical pollution in the aquatic environment is an issue of concern that has attracted attention by the news media. Understanding the factors that contribute to media framing of pharmaceutical pollution may lead to a better understanding of the management and governance of this issue, including why these pollutants are generally unregulated at this time. This study conducted a content analysis of 405 newspaper articles (81 had substantive information on the topic) from 2007 to 2014, using the search terms "water" and "pharmaceuticals" in the Chicago Tribune, Denver Post, Los Angeles Times, New York Daily News, New York Times, USA Today, Wall Street Journal, and Washington Post. We sought to analyze the factors that contributed to the news media presentation of pharmaceutical pollution in the United States, including the presentation of the risks/safety and solutions by various actors. We found that the primary issues in the news media were uncertainty regarding public health and harm to the environment. The primary solutions recommended within the news media were implementing additional water treatment technologies, taking unused pharmaceuticals to predetermined sites for disposal (take-back programs), and trash disposal of unused pharmaceuticals. Water utilities and scientists presented improved water treatment technology, government actors presented take-back programs, and pharmaceutical representatives, while sparsely involved in the news media, presented trash disposal as their primary solutions. To advance the understanding of the management of pharmaceutical pollution, this article offers further insight into the debate and potential solutions within the news media presentation of this complex scientific topic.

U.S. News Media Coverage of Pharmaceutical Pollution in the Aquatic Environment: A Content Analysis of the Problems and Solutions Presented by Actors

NASA Astrophysics Data System (ADS)

Blair, Benjamin; Zimny-Schmitt, Daniel; Rudd, Murray A.

2017-08-01

Pharmaceutical pollution in the aquatic environment is an issue of concern that has attracted attention by the news media. Understanding the factors that contribute to media framing of pharmaceutical pollution may lead to a better understanding of the management and governance of this issue, including why these pollutants are generally unregulated at this time. This study conducted a content analysis of 405 newspaper articles (81 had substantive information on the topic) from 2007 to 2014, using the search terms "water" and "pharmaceuticals" in the Chicago Tribune, Denver Post, Los Angeles Times, New York Daily News, New York Times, USA Today, Wall Street Journal, and Washington Post. We sought to analyze the factors that contributed to the news media presentation of pharmaceutical pollution in the United States, including the presentation of the risks/safety and solutions by various actors. We found that the primary issues in the news media were uncertainty regarding public health and harm to the environment. The primary solutions recommended within the news media were implementing additional water treatment technologies, taking unused pharmaceuticals to predetermined sites for disposal (take-back programs), and trash disposal of unused pharmaceuticals. Water utilities and scientists presented improved water treatment technology, government actors presented take-back programs, and pharmaceutical representatives, while sparsely involved in the news media, presented trash disposal as their primary solutions. To advance the understanding of the management of pharmaceutical pollution, this article offers further insight into the debate and potential solutions within the news media presentation of this complex scientific topic.

Calculation of the Energy-Band Structure of the Kronig-Penney Model Using the Nearly-Free and Tightly-Bound-Electron Approximations

ERIC Educational Resources Information Center

Wetsel, Grover C., Jr.

1978-01-01

Calculates the energy-band structure of noninteracting electrons in a one-dimensional crystal using exact and approximate methods for a rectangular-well atomic potential. A comparison of the two solutions as a function of potential-well depth and ratio of lattice spacing to well width is presented. (Author/GA)

Injectable Hydrogels for Cardiac Tissue Repair after Myocardial Infarction

PubMed Central

Khattab, Ahmad; Islam, Mohammad Ariful; Hweij, Khaled Abou; Zeitouny, Joya; Waters, Renae; Sayegh, Malek; Hossain, Md Monowar; Paul, Arghya

2015-01-01

Cardiac tissue damage due to myocardial infarction (MI) is one of the leading causes of mortality worldwide. The available treatments of MI include pharmaceutical therapy, medical device implants, and organ transplants, all of which have severe limitations including high invasiveness, scarcity of donor organs, thrombosis or stenosis of devices, immune rejection, and prolonged hospitalization time. Injectable hydrogels have emerged as a promising solution for in situ cardiac tissue repair in infarcted hearts after MI. In this review, an overview of various natural and synthetic hydrogels for potential application as injectable hydrogels in cardiac tissue repair and regeneration is presented. The review starts with brief discussions about the pathology of MI, its current clinical treatments and their limitations, and the emergence of injectable hydrogels as a potential solution for post MI cardiac regeneration. It then summarizes various hydrogels, their compositions, structures and properties for potential application in post MI cardiac repair, and recent advancements in the application of injectable hydrogels in treatment of MI. Finally, the current challenges associated with the clinical application of injectable hydrogels to MI and their potential solutions are discussed to help guide the future research on injectable hydrogels for translational therapeutic applications in regeneration of cardiac tissue after MI. PMID:27668147

A novel approach for the removal of radiocesium from aqueous solution by ZSM-5 molecular sieve.

PubMed

Gao, Xiaoqing; Zhang, Peng; Yang, Junqiang; Sun, Xuejie; Fu, Yi; Shi, Keliang; Chai, Zhifang; Wu, Wangsuo

2018-05-21

Finding an approach for pretreatment of radionuclides from contaminated water are interesting topics of research. In present work, the ZSM-5 molecular sieve was characterized with different techniques such as zeta potential, SEM, FT-IR and XRD to clarify the surface properties of sample and applied as a sorbent to concentrate and recover Cs(I) from aqueous solution. The effect of environmental conditions such as contact time, ionic strength, content of sorbent and solution pH on Cs(I) uptake were optimized using batch techniques. Different kinetic and isotherm models were utilized to evaluate the experimental data and the correlation parameters were obtained. Based on the sorption/desorption experiment, it can be deduced that the ZSM-5 molecular sieve has potential application for the rapid and quantitative recovery of radiocesium from wastewater. Copyright © 2018 Elsevier Ltd. All rights reserved.

An efficient technique for the numerical solution of the bidomain equations.

PubMed

Whiteley, Jonathan P

2008-08-01

Computing the numerical solution of the bidomain equations is widely accepted to be a significant computational challenge. In this study we extend a previously published semi-implicit numerical scheme with good stability properties that has been used to solve the bidomain equations (Whiteley, J.P. IEEE Trans. Biomed. Eng. 53:2139-2147, 2006). A new, efficient numerical scheme is developed which utilizes the observation that the only component of the ionic current that must be calculated on a fine spatial mesh and updated frequently is the fast sodium current. Other components of the ionic current may be calculated on a coarser mesh and updated less frequently, and then interpolated onto the finer mesh. Use of this technique to calculate the transmembrane potential and extracellular potential induces very little error in the solution. For the simulations presented in this study an increase in computational efficiency of over two orders of magnitude over standard numerical techniques is obtained.

Electronic cigarette solutions and resultant aerosol profiles.

PubMed

Herrington, Jason S; Myers, Colton

2015-10-30

Electronic cigarettes (e-cigarettes) are growing in popularity exponentially. Despite their ever-growing acceptance, their aerosol has not been fully characterized. The current study focused on evaluating e-cigarette solutions and their resultant aerosol for potential differences. A simple sampling device was developed to draw e-cigarette aerosol into a multi-sorbent thermal desorption (TD) tube, which was then thermally extracted and analyzed via a gas chromatography (GC) mass spectrometry (GC-MS) method. This novel application provided detectable levels of over one hundred fifteen volatile organic compounds (VOCs) and semivolatile organic compounds (SVOCs) from a single 40mL puff. The aerosol profiles from four commercially available e-cigarettes were compared to their respective solution profiles with the same GC-MS method. Solution profiles produced upwards of sixty four unidentified and identified (some only tentatively) constituents and aerosol profiles produced upwards of eighty two compounds. Results demonstrated distinct analyte profiles between liquid and aerosol samples. Most notably, formaldehyde, acetaldehyde, acrolein, and siloxanes were found in the aerosol profiles; however, these compounds were never present in the solutions. These results implicate the aerosolization process in the formation of compounds not found in solutions; have potential implications for human health; and stress the need for an emphasis on electronic cigarette aerosol testing. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: Multi-center molecular Ornstein-Zernike self-consistent field approach

NASA Astrophysics Data System (ADS)

Kido, Kentaro; Kasahara, Kento; Yokogawa, Daisuke; Sato, Hirofumi

2015-07-01

In this study, we reported the development of a new quantum mechanics/molecular mechanics (QM/MM)-type framework to describe chemical processes in solution by combining standard molecular-orbital calculations with a three-dimensional formalism of integral equation theory for molecular liquids (multi-center molecular Ornstein-Zernike (MC-MOZ) method). The theoretical procedure is very similar to the 3D-reference interaction site model self-consistent field (RISM-SCF) approach. Since the MC-MOZ method is highly parallelized for computation, the present approach has the potential to be one of the most efficient procedures to treat chemical processes in solution. Benchmark tests to check the validity of this approach were performed for two solute (solute water and formaldehyde) systems and a simple SN2 reaction (Cl- + CH3Cl → ClCH3 + Cl-) in aqueous solution. The results for solute molecular properties and solvation structures obtained by the present approach were in reasonable agreement with those obtained by other hybrid frameworks and experiments. In particular, the results of the proposed approach are in excellent agreements with those of 3D-RISM-SCF.

A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: multi-center molecular Ornstein-Zernike self-consistent field approach.

PubMed

Kido, Kentaro; Kasahara, Kento; Yokogawa, Daisuke; Sato, Hirofumi

2015-07-07

In this study, we reported the development of a new quantum mechanics/molecular mechanics (QM/MM)-type framework to describe chemical processes in solution by combining standard molecular-orbital calculations with a three-dimensional formalism of integral equation theory for molecular liquids (multi-center molecular Ornstein-Zernike (MC-MOZ) method). The theoretical procedure is very similar to the 3D-reference interaction site model self-consistent field (RISM-SCF) approach. Since the MC-MOZ method is highly parallelized for computation, the present approach has the potential to be one of the most efficient procedures to treat chemical processes in solution. Benchmark tests to check the validity of this approach were performed for two solute (solute water and formaldehyde) systems and a simple SN2 reaction (Cl(-) + CH3Cl → ClCH3 + Cl(-)) in aqueous solution. The results for solute molecular properties and solvation structures obtained by the present approach were in reasonable agreement with those obtained by other hybrid frameworks and experiments. In particular, the results of the proposed approach are in excellent agreements with those of 3D-RISM-SCF.

Dibutyl Phosphoric Acid Solubility in High-Acid, Uranium-Bearing Solutions at SRS

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

Pierce, R.A.

1998-10-02

The Savannah River Site has enriched uranium (EU) solution which has been stored for almost 10 years since being purified in the second uranium cycle of the H area solvent extraction process. The concentrations in solution are approximately 6 g/L U and about 0.1 M nitric acid. Residual tributylphosphate in the solutions has slowly hydrolyzed to form dibutyl phosphoric acid (HDBP) at concentrations averaging 50 mg/L. Uranium is known to form compounds with the dibutylphosphate ion (DBP) which have limited solubility. The potential to form uranium-DBP solids raises a nuclear criticality safety issue. Prior SRTC tests (WSRC-TR-98-00188) showed that U-DBPmore » solids precipitate at concentrations potentially attainable during the storage of enriched uranium solutions. Furthermore, evaporation of the existing EUS solution without additional acidification could result in the precipitation of U-DBP solids if the DBP concentration in the resulting solution exceeds 110 mg/L at ambient temperature. The same potential exists for evaporation of unwashed 1CU solutions. As a follow-up to the earlier studies, SRTC studied the solubility limits for solutions containing acid concentrations above 0.5M HNO3. The data obtained in these tests reveals a shift to higher levels of DBP solubility above 0.5M HNO3 for both 6 g/L and 12 g/L uranium solutions. Analysis of U-DBP solids from the tests identified a mixture of different molecular structures for the solids created. The analysis distinguished UO2(DBP)2 as the dominant compound present at low acid concentrations. As the acid concentration increases, the crystalline UO2(DBP)2 shows molecular substitutions and an increase in amorphous content. Further analysis by methods not available at SRS will be needed to better identify the specific compounds present. This data indicates that acidification prior to evaporation can be used to increase the margin of safety for the storage of the EUS solutions. Subsequent experimentation evaluated options for absorbing HDBP from solution using either activated carbon or anion exchange resin. The activated carbon outperformed the anion exchange resin. Activated carbon absorbs DBP rapidly and has demonstrated the capability of absorbing 15 mg of DBP per gram of activated carbon. Analytical results also show that activated carbon absorbs uranium up to 17 mg per gram of carbon. It is speculated that the uranium absorbed is part of a soluble U-DBP complex that has been absorbed. Additional testing must still be performed to 1) establish absorption limits for uranium for anion exchange resin, 2) evaluate desorption characteristics of uranium and DBP, and 3) study the possibility of re-using the absorbent.« less

Arrest scenarios in concentrated protein solutions - from hard sphere glasses to arrested spinodal decomposition

NASA Astrophysics Data System (ADS)

Stradner, Anna; Bucciarelli, Saskia; Casal, Lucia; Foffi, Giuseppe; Thurston, George; Farago, Bela; Schurtenberger, Peter

2014-03-01

The occurrence of an arrest transition in concentrated colloid suspensions and its dependence on the interaction potential is a hot topic in soft matter. Such arrest transitions can also occur in concentrated protein solutions, as they exist e.g. in biological cells or are increasingly used in pharmaceutical formulations. Here we demonstrate the applicability of concepts from colloid science to understand the dynamics of concentrated protein solutions. In this presentation we report a combination of 3D light scattering, small-angle X-ray scattering and neutron spin echo measurements to study the structural properties as well as the collective and self diffusion of proteins in highly concentrated solutions on the relevant length and time scales. We demonstrate that various arrest scenarios indeed exist for different globular proteins. The proteins chosen are different bovine lens crystallins. We report examples of hard and attractive glass transitions and arrested spinodal decomposition directly linked to the effective pair potentials determined in static scattering experiments for the different proteins. We discuss these different arrest scenarios in view of possible applications of dense protein solutions as well as in view of their possible relevance for living systems.

Numerical solution of nonlinear partial differential equations of mixed type. [finite difference approximation

NASA Technical Reports Server (NTRS)

Jameson, A.

1976-01-01

A review is presented of some recently developed numerical methods for the solution of nonlinear equations of mixed type. The methods considered use finite difference approximations to the differential equation. Central difference formulas are employed in the subsonic zone and upwind difference formulas are used in the supersonic zone. The relaxation method for the small disturbance equation is discussed and a description is given of difference schemes for the potential flow equation in quasi-linear form. Attention is also given to difference schemes for the potential flow equation in conservation form, the analysis of relaxation schemes by the time dependent analogy, the accelerated iterative method, and three-dimensional calculations.

Pressure-volume (P-V) curves in Atriplex nummularia Lindl. for evaluation of osmotic adjustment and water status under saline conditions.

PubMed

Teixeira Lins, Cíntia Maria; Rodrigues de Souza, Edivan; Farias de Melo, Hidelblandi; Silva Souza Paulino, Martha Katharinne; Dourado Magalhães, Pablo Rugero; Yago de Carvalho Leal, Lucas; Bentzen Santos, Hugo Rafael

2018-03-01

The survival of Atriplex nummularia plants in saline environments is possible mainly due to the presence of salt-accumulating epidermal vesicles. Commonly, destructive methods, such as plant material maceration and subsequent reading in osmometers, are employed in studies on water relations and osmotic adjustment and are inconvenient due to their underestimation of the total water potential inside the cells, which can cause overestimation of an osmotic adjustment that is not present. As a result, methods that preserve leaf structure, such as pressure-volume (P-V) curves, which take into consideration only the salts that compose the symplastic solution, are more adequate. Thus, the main objectives of this study were to evaluate the effect of determination methods of osmotic potential (Ψ o ) in Atriplex nummularia through destructive and leaf structure-preserving techniques and to determine the water relations of the species under increasing NaCl concentrations. Plants were subjected to daily irrigations, maintaining soil moisture at 80% of field capacity, with solutions of increasing NaCl concentration (0, 0.05, 0.1, 0.2, 0.25 and 0.3 M) for 84 days. Water potential, osmotic potential and osmotic adjustment were determined. In addition, P-V curves were constructed using pressure chambers. Water and osmotic potentials decreased linearly with increasing NaCl concentration in the irrigation solution. The main discrepancies observed were related to the osmotic adjustments determined through maceration and P-V curves. Based on the present research, it was possible to conclude that in studies with species that have salt-accumulating vesicles in the epidermis, such as the plants in the genus Atriplex, constructing P-V curves is more adequate than destructive methods. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

General aspects of Gauss-Bonnet models without potential in dimension four

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

Santillán, Osvaldo P., E-mail: firenzecita@hotmail.com

In the present work, the isotropic and homogenous solutions with spatial curvature k =0 of four dimensional Gauss-Bonnet models are characterized. The main assumption is that the scalar field φ which is coupled to the Gauss-Bonnet term has no potential [1]–[2]. Some singular and some eternal solutions are described. The evolution of the universe is given in terms of a curve γ=( H (φ), φ) which is the solution of a polynomial equation P ( H {sup 2}, φ)=0 with φ dependent coefficients. In addition, it is shown that the initial conditions in these models put several restrictions on themore » evolution. For instance, an universe initially contracting will be contracting always for future times and an universe that is expanding was always expanding at past times. Thus, there are no cyclic cosmological solutions for this model. These results are universal, that is, independent on the form of the coupling f (φ) between the scalar field and the Gauss-Bonnet term. In addition, a proof that at a turning point φ-dot →0 a singularity necessarily emerges is presented, except for some specific choices of the coupling. This is valid unless the Hubble constant H → 0 at this point. This proof is based on the Raychaudhuri equation for the model. The description presented here is in part inspired in the works [3]–[4]. However, the mathematical methods that are implemented are complementary of those in these references, and they may be helpful for study more complicated situations in a future.« less

Nanotechnology for sustainability: what does nanotechnology offer to address complex sustainability problems?

NASA Astrophysics Data System (ADS)

Wiek, Arnim; Foley, Rider W.; Guston, David H.

2012-09-01

Nanotechnology is widely associated with the promise of positively contributing to sustainability. However, this view often focuses on end-of-pipe applications, for instance, for water purification or energy efficiency, and relies on a narrow concept of sustainability. Approaching sustainability problems and solution options from a comprehensive and systemic perspective instead may yield quite different conclusions about the contribution of nanotechnology to sustainability. This study conceptualizes sustainability problems as complex constellations with several potential intervention points and amenable to different solution options. The study presents results from interdisciplinary workshops and literature reviews that appraise the contribution of the selected nanotechnologies to mitigate such problems. The study focuses exemplarily on the urban context to make the appraisals tangible and relevant. The solution potential of nanotechnology is explored not only for well-known urban sustainability problems such as water contamination and energy use but also for less obvious ones such as childhood obesity. Results indicate not only potentials but also limitations of nanotechnology's contribution to sustainability and can inform anticipatory governance of nanotechnology in general, and in the urban context in particular.

Osmotic potential calculations of inorganic and organic aqueous solutions over wide solute concentration levels and temperatures.

PubMed

Cochrane, T T; Cochrane, T A

2016-01-01

To demonstrate that the authors' new "aqueous solution vs pure water" equation to calculate osmotic potential may be used to calculate the osmotic potentials of inorganic and organic aqueous solutions over wide ranges of solute concentrations and temperatures. Currently, the osmotic potentials of solutions used for medical purposes are calculated from equations based on the thermodynamics of the gas laws which are only accurate at low temperature and solute concentration levels. Some solutions used in medicine may need their osmotic potentials calculated more accurately to take into account solute concentrations and temperatures. The authors experimented with their new equation for calculating the osmotic potentials of inorganic and organic aqueous solutions up to and beyond body temperatures by adjusting three of its factors; (a) the volume property of pure water, (b) the number of "free" water molecules per unit volume of solution, "Nf," and (c) the "t" factor expressing the cooperative structural relaxation time of pure water at given temperatures. Adequate information on the volume property of pure water at different temperatures is available in the literature. However, as little information on the relative densities of inorganic and organic solutions, respectively, at varying temperatures needed to calculate Nf was available, provisional equations were formulated to approximate values. Those values together with tentative t values for different temperatures chosen from values calculated by different workers were substituted into the authors' equation to demonstrate how osmotic potentials could be estimated over temperatures up to and beyond bodily temperatures. The provisional equations formulated to calculate Nf, the number of free water molecules per unit volume of inorganic and organic solute solutions, respectively, over wide concentration ranges compared well with the calculations of Nf using recorded relative density data at 20 °C. They were subsequently used to estimate Nf values at temperatures up to and excess of body temperatures. Those values, together with t values at temperatures up to and in excess of body temperatures recorded in the literature, were substituted in the authors' equation for the provisional calculation of osmotic potentials. The calculations indicated that solution temperatures and solute concentrations have a marked effect on osmotic potentials. Following work to measure the relative densities of aqueous solutions for the calculation of Nf values and the determination of definitive t values up to and beyond bodily temperatures, the authors' equation would enable the accurate estimations of the osmotic potentials of wide concentrations of aqueous solutions of inorganic and organic solutes over the temperature range. The study illustrates that not only solute concentrations but also temperatures have a marked effect on osmotic potentials, an observation of medical and biological significance.

Exact analytical solution of shear-induced flexural vibration of functionally graded piezoelectric beam

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

Sharma, Pankaj, E-mail: psharma@rtu.ac.in; Parashar, Sandeep Kumar, E-mail: parashar2@yahoo.com

The priority of this paper is to obtain the exact analytical solution for free flexural vibration of FGPM beam actuated using the d{sub 15} effect. In piezoelectric actuators, the potential use of d{sub 15} effect has been of particular interest for engineering applications since shear piezoelectric coefficient d15 is much higher than the other piezoelectric coupling constants d{sub 31} and d{sub 33}. The applications of shear actuators are to induce and control the flexural vibrations of beams and plates. In this study, a modified Timoshenko beam theory is used where electric potential is assumed to vary sinusoidaly along the thicknessmore » direction. The material properties are assumed to be graded across the thickness in accordance with power law distribution. Hamilton's principle is employed to obtain the equations of motion along with the associated boundary conditions for FGPM beams. Exact analytical solution is derived thus obtained equations of motion. Results for clamped-clamped and clamped-free boundary conditions are presented. The presented result and method shell serve as benchmark for comparing the results obtained from the other approximate methods.« less

GENERAL: The Analytic Solution of Schrödinger Equation with Potential Function Superposed by Six Terms with Positive-power and Inverse-power Potentials

NASA Astrophysics Data System (ADS)

Hu, Xian-Quan; Luo, Guang; Cui, Li-Peng; Li, Fang-Yu; Niu, Lian-Bin

2009-03-01

The analytic solution of the radial Schrödinger equation is studied by using the tight coupling condition of several positive-power and inverse-power potential functions in this article. Furthermore, the precisely analytic solutions and the conditions that decide the existence of analytic solution have been searched when the potential of the radial Schrödinger equation is V(r) = α1r8 + α2r3 + α3r2 + β3r-1 + β2r-3 + β1r-4. Generally speaking, there is only an approximate solution, but not analytic solution for Schrödinger equation with several potentials' superposition. However, the conditions that decide the existence of analytic solution have been found and the analytic solution and its energy level structure are obtained for the Schrödinger equation with the potential which is motioned above in this paper. According to the single-value, finite and continuous standard of wave function in a quantum system, the authors firstly solve the asymptotic solution through the radial coordinate r → and r → 0; secondly, they make the asymptotic solutions combining with the series solutions nearby the neighborhood of irregular singularities; and then they compare the power series coefficients, deduce a series of analytic solutions of the stationary state wave function and corresponding energy level structure by tight coupling among the coefficients of potential functions for the radial Schrödinger equation; and lastly, they discuss the solutions and make conclusions.

Quantization of charged fields in the presence of critical potential steps

NASA Astrophysics Data System (ADS)

Gavrilov, S. P.; Gitman, D. M.

2016-02-01

QED with strong external backgrounds that can create particles from the vacuum is well developed for the so-called t -electric potential steps, which are time-dependent external electric fields that are switched on and off at some time instants. However, there exist many physically interesting situations where external backgrounds do not switch off at the time infinity. E.g., these are time-independent nonuniform electric fields that are concentrated in restricted space areas. The latter backgrounds represent a kind of spatial x -electric potential steps for charged particles. They can also create particles from the vacuum, the Klein paradox being closely related to this process. Approaches elaborated for treating quantum effects in the t -electric potential steps are not directly applicable to the x -electric potential steps and their generalization for x -electric potential steps was not sufficiently developed. We believe that the present work represents a consistent solution of the latter problem. We have considered a canonical quantization of the Dirac and scalar fields with x -electric potential step and have found in- and out-creation and annihilation operators that allow one to have particle interpretation of the physical system under consideration. To identify in- and out-operators we have performed a detailed mathematical and physical analysis of solutions of the relativistic wave equations with an x -electric potential step with subsequent QFT analysis of correctness of such an identification. We elaborated a nonperturbative (in the external field) technique that allows one to calculate all characteristics of zero-order processes, such, for example, scattering, reflection, and electron-positron pair creation, without radiation corrections, and also to calculate Feynman diagrams that describe all characteristics of processes with interaction between the in-, out-particles and photons. These diagrams have formally the usual form, but contain special propagators. Expressions for these propagators in terms of in- and out-solutions are presented. We apply the elaborated approach to two popular exactly solvable cases of x -electric potential steps, namely, to the Sauter potential and to the Klein step.

Simulation of water solutions of Ni 2+ at infinite dilution

NASA Astrophysics Data System (ADS)

Natália, M.; Cordeiro, D. S.; Ignaczak, Anna; Gomes, José A. N. F.

1993-10-01

A new ab initio pair potential is developed to describe the nickel—water interactions in Ni(II) aqueous solutions. Results of Monte Carlo simulations for the Ni(II)(H 2O) 200 system are presented for this pair potential with and without three-body classical polarization terms (the water—water interaction is described by the ab initio MCY potential). The structure of the solution around Ni(II) is discussed in terms of radial distribution functions, coordination numbers and thermal ellipsoids. The results show that the three-body terms have a non-negligible effect on the simulated solution. In fact, the experimental coordination number of six is reproduced with the full potential while a higher value is predicted when the simple pairwise-additive potential is used. The equilibrium NiO distance for the first hydration shell is also dependent on the use of the three-body terms. Comparison of our distribution functions with those obtained by neutron-diffraction experiments shows a reasonable quantitative agreement. Statistical pattern recognition analysis has also been applied to our simulations in order to better understand the local thermal motion of the water molecules around the metal ion. In this way, thermal ellipsoids have been computed (and graphically displayed) for each atom of the water molecules belonging to the Ni(II) first hydration shell. This analysis revealed that the twisting and bending motions are greater than the radial motion, and that the hydrogens have a higher mobility than the oxygens. In addition, a thermodynamic perturbation method has been incorporated in our Monte Carlo procedure in order to compute the free energy of hydration for the Ni(II) ion. Agreement between these results and the experimental ones is also sufficiently reasonable to demonstrate the feasibility of this new potential for the nickel—water interactions.

Preliminary assessment of industrial needs for an advanced ocean technology

NASA Technical Reports Server (NTRS)

Mourad, A. G.; Maher, K. M.; Balon, J. E.; Coyle, A. G.; Henkener, J. A.

1979-01-01

A quick-look review of selected ocean industries is presented for the purpose of providing NASA OSTA with an assessment of technology needs and market potential. The size and growth potential, needs and problem areas, technology presently used and its suppliers, are given for industries involved in deep ocean mining, petrochemicals ocean energy conversion. Supporting services such as ocean bottom surveying; underwater transportation, data collection, and work systems; and inspection and diving services are included. Examples of key problem areas that are amenable to advanced technology solutions are included. Major companies are listed.

Double layer of platinum electrodes: Non-monotonic surface charging phenomena and negative double layer capacitance

NASA Astrophysics Data System (ADS)

Huang, Jun; Zhou, Tao; Zhang, Jianbo; Eikerling, Michael

2018-01-01

In this study, a refined double layer model of platinum electrodes accounting for chemisorbed oxygen species, oriented interfacial water molecules, and ion size effects in solution is presented. It results in a non-monotonic surface charging relation and a peculiar capacitance vs. potential curve with a maximum and possibly negative values in the potential regime of oxide-formation.

Cycling operation of fossil plants

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

Bhatnagar, U.S.; Weiss, M.D.; White, W.H.

1991-05-01

This report presents a methodology for examining the economic feasibility of converting fossil power plants from baseload to cycling service. It employs this approach to examine a proposed change of Pepco's Potomac River units 3, 4, and 5 from baseload operation of two-shift cycling. The project team first reviewed all components and listed potential cycling effects involved in the conversion of Potomac River units 3, 4, and 5. They developed general cycling plant screening criteria including the number of hot, warm, or cold restart per year and desired load ramp rates. In addition, they evaluated specific limitations on the boiler,more » turbine, and the balance of plant. They estimated the remaining life of the facility through component evaluation and boiler testing and also identified and prioritized potential component deficiencies by their impact on key operational factors: safety, heat rate, turn down, startup/shutdown time, and plant availability. They developed solutions to these problems; and, since many solutions mitigate more than one problem, they combined and reprioritized these synergistic solutions. Economic assessments were performed on all solutions. 13 figs., 20 tabs.« less

Gold(III) biosorption and bioreduction with the brown alga Fucus vesiculosus.

PubMed

Mata, Y N; Torres, E; Blázquez, M L; Ballester, A; González, F; Muñoz, J A

2009-07-30

In this paper, the bioreduction of Au(III) to Au(0) using biomass of the brown alga Fucus vesiculosus was investigated. The recovery and reduction process took place in two stages with an optimum pH range of 4-9 with a maximum uptake obtained at pH 7. In the first stage, an induction period previous to gold reduction, the variation of pH, redox potential and gold concentration in solution was practically negligible and no color change was observed. In the second stage, the gold reduction was followed by a sharp decrease of gold concentration, pH and redox potential of solution and a color change from yellow to reddish purple. Hydroxyl groups present in the algal polysaccharides were involved in the gold bioreduction. Metallic gold was detected as microprecipitates on the biomass surface and in colloidal form as nanoparticles in the solution. Bioreduction with F. vesiculosus could be an alternative and environmentally friendly process that can be used for recovering gold from dilute hydrometallurgical solutions and leachates of electronic scraps, and for the synthesis of gold nanoparticles of different size and shape.

The Use of Redox Mediators for Enhancing Utilization of Li2S Cathodes for Advanced Li-S Battery Systems.

PubMed

Meini, Stefano; Elazari, Ran; Rosenman, Ariel; Garsuch, Arnd; Aurbach, Doron

2014-03-06

The development of Li2S electrodes is a crucial step toward industrial manufacturing of Li-S batteries, a promising alternative to Li-ion batteries due to their projected two times higher specific capacity. However, the high voltages needed to activate Li2S electrodes, and the consequent electrolyte solution degradation, represent the main challenge. We present a novel concept that could make feasible the widespread application of Li2S electrodes for Li-S cell assembly. In this concept, the addition of redox mediators as additives to the standard electrolyte solution allows us to recover most of Li2S theoretical capacity in the activation cycle at potentials as low as 2.9 VLi, substantially lower than the typical potentials >4 VLi needed with standard electrolyte solution. Those novel additives permit us to preserve the electrolyte solution from being degraded, allowing us to achieve capacity as high as 500 mAhg(-1)Li2S after 150 cycles with no major structural optimization of the electrodes.

Recovery of phosphate from aqueous solution by magnesium oxide decorated magnetic biochar and its potential as phosphate-based fertilizer substitute.

PubMed

Li, Ronghua; Wang, Jim J; Zhou, Baoyue; Awasthi, Mukesh Kumar; Ali, Amjad; Zhang, Zengqiang; Lahori, Altaf Hussain; Mahar, Amanullah

2016-09-01

The present study deals with the preparation of a novel MgO-impregnated magnetic biochar (MMSB) for phosphate recovery from aqueous solution. The MMSB was evaluated against sugarcane harvest residue biochar (SB) and magnetic biochar without Mg (MSB). The results showed that increasing Mg content in MMSB greatly improved the phosphate adsorption compared to SB and MSB, with 20% Mg-impregnated MMSB (20MMSB) recovering more than 99.5% phosphate from aqueous solution. Phosphate adsorption capacity of 20MMSB was 121.25mgP/g at pH 4 and only 37.53% of recovered phosphate was desorbed by 0.01mol/L HCl solutions. XRD and FTIR analysis showed that phosphate sorption mechanisms involved predominately with surface electrostatic attraction and precipitation with impregnated MgO and surface inner-sphere complexation with Fe oxide. The 20MMSB exhibited both maximum phosphate sorption and strong magnetic separation ability. Overall, phosphate-loaded 20MMSB significantly enhanced plant growth and could be used as a potential substitute for phosphate-based fertilizer. Copyright © 2016 Elsevier Ltd. All rights reserved.

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.

Controlling Ionic Transport for Device Design in Synthetic Nanopores

NASA Astrophysics Data System (ADS)

Kalman, Eric Boyd

Polymer nanopores present a number of behaviors not seen in microscale systems, such as ion current rectification, ionic selectivity, size exclusion and potential dependent ion concentrations in and near the pore. The existence of these effects stems from the small size of nanopores with respect to the characteristic length scales of surface interactions at the interface between the nanopore surface and the solution within it. The large surface-to-volume ratio due to the nanoscale geometry of a nanopore, as well as similarity in scale between geometry and interaction demands the solution interact with the nanopore walls. As surfaces in solution almost always carry residual charge, these surface forces are primarily the electrostatic interactions between the charge groups on the pore surface and the ions in solution. These interactions may be used by the experimentalist to control ionic transport through synthetic nanopores, and use them as a template for the construction of devices. In this research, we present our work on creating a number of ionic analogs to seminal electronic devices, specifically diodes, and transistors, by controlling ionic transport through the electrostatic interactions between a single synthetic nanopore and ions. Control is achieved by "doping" the effective charge carrier concentration in specific regions of the nanopore through manipulation of the pore's surface charge. This manipulation occurs through two mechanisms: chemical modification of the surface charge and electrostatic manipulation of the local internal nanopore potential using a gate electrode. Additionally, the innate selectivity of the charged nanopores walls allows for the separation of charges in solution. This well-known effect, which spawns measureable quantities, the streaming potential and current, has been used to create nanoscale water desalination membranes. We attempt to create a device using membranes with large nanopore densities for the desalination of water which should theoretically outperform currently available devices, as through our previous work we have developed techniques allowing for transport manipulation not current accessible in traditional membrane motifs.

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.

Physico-chemical properties of aqueous drug solutions: From the basic thermodynamics to the advanced experimental and simulation results.

PubMed

Bellich, Barbara; Gamini, Amelia; Brady, John W; Cesàro, Attilio

2018-04-05

The physical chemical properties of aqueous solutions of model compounds are illustrated in relation to hydration and solubility issues by using three perspectives: thermodynamic, spectroscopic and molecular dynamics simulations. The thermodynamic survey of the fundamental backgrounds of concentration dependence and experimental solubility results show some peculiar behavior of aqueous solutions with several types of similar solutes. Secondly, the use of a variety of experimental spectroscopic devices, operating under different experimental conditions of dimension and frequency, has produced a large amount of structural and dynamic data on aqueous solutions showing the richness of the information produced, depending on where and how the experiment is carried out. Finally, the use of molecular dynamics computational work is presented to highlight how the different types of solute functional groups and surface topologies organize adjacent water molecules differently. The highly valuable contribution of computer simulation studies in providing molecular explanations for experimental deductions, either of a thermodynamic or spectroscopic nature, is shown to have changed the current knowledge of many aqueous solution processes. While this paper is intended to provide a collective view on the latest literature results, still the presentation aims at a tutorial explanation of the potentials of the three methodologies in the field of aqueous solutions of pharmaceutical molecules. Copyright © 2018. Published by Elsevier B.V.

In Situ Metrology for the Corrective Polishing of Replicating Mandrels

DTIC Science & Technology

2010-06-08

distribution is unlimited. 13. SUPPLEMENTARY NOTES Presented at Mirror Technology Days, Boulder, Colorado, USA, 7-9 June 2010. 14...ABSTRACT The International X-ray Observatory (IXO) will require mandrel metrology with extremely tight tolerances on mirrors with up to 1.6 meter radii...ideal. Error budgets for the IXO mirror segments are presented. A potential solution is presented that uses a voice-coil controlled gauging head, air

A review of spectral methods

NASA Technical Reports Server (NTRS)

Lustman, L.

1984-01-01

An outline for spectral methods for partial differential equations is presented. The basic spectral algorithm is defined, collocation are emphasized and the main advantage of the method, the infinite order of accuracy in problems with smooth solutions are discussed. Examples of theoretical numerical analysis of spectral calculations are presented. An application of spectral methods to transonic flow is presented. The full potential transonic equation is among the best understood among nonlinear equations.

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information.

PubMed

Bansal, Artee; Valiya Parambathu, Arjun; Asthagiri, D; Cox, Kenneth R; Chapman, Walter G

2017-04-28

We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [A. Bansal et al., J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have the same size. The patchy, solvent particles have short-range directional interactions, while the solute particles have short-range isotropic interactions. The hard-sphere mixture without any association site forms the reference fluid. An important ingredient within the multi-body association theory is the description of clustering of the reference solvent around the reference solute. Here we account for the physical, multi-body clusters of the reference solvent around the reference solute in terms of occupancy statistics in a defined observation volume. These occupancy probabilities are obtained from enhanced sampling simulations, but we also present statistical mechanical models to estimate these probabilities with limited simulation data. Relative to an approach that describes only up to three-body correlations in the reference, incorporating the complete reference information better predicts the bonding state and thermodynamics of the physical solute for a wide range of system conditions. Importantly, analysis of the residual chemical potential of the infinitely dilute solute from molecular simulation and theory shows that whereas the chemical potential is somewhat insensitive to the description of the structure of the reference fluid, the energetic and entropic contributions are not, with the results from the complete reference approach being in better agreement with particle simulations.

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information

NASA Astrophysics Data System (ADS)

Bansal, Artee; Valiya Parambathu, Arjun; Asthagiri, D.; Cox, Kenneth R.; Chapman, Walter G.

2017-04-01

We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [A. Bansal et al., J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have the same size. The patchy, solvent particles have short-range directional interactions, while the solute particles have short-range isotropic interactions. The hard-sphere mixture without any association site forms the reference fluid. An important ingredient within the multi-body association theory is the description of clustering of the reference solvent around the reference solute. Here we account for the physical, multi-body clusters of the reference solvent around the reference solute in terms of occupancy statistics in a defined observation volume. These occupancy probabilities are obtained from enhanced sampling simulations, but we also present statistical mechanical models to estimate these probabilities with limited simulation data. Relative to an approach that describes only up to three-body correlations in the reference, incorporating the complete reference information better predicts the bonding state and thermodynamics of the physical solute for a wide range of system conditions. Importantly, analysis of the residual chemical potential of the infinitely dilute solute from molecular simulation and theory shows that whereas the chemical potential is somewhat insensitive to the description of the structure of the reference fluid, the energetic and entropic contributions are not, with the results from the complete reference approach being in better agreement with particle simulations.

Generalized Kinetic Description of Steady-State Collisionless Plasmas

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Liemohn, M. W.; Krivorutsky, E. N.

1997-01-01

We present a general solution to the collisionless Boltzmann (Vlasov) equation for a free-flowing plasma along a magnetic field line using Liouville's theorem, allowing for an arbitrary potential structure including non-monotonicities. The constraints of the existing collisionless kinetic transport models are explored, and the need for a more general approach to the problem of self- consistent potential energy calculations is described. Then a technique that handles an arbitrary potential energy distribution along the field line is presented and discussed. For precipitation of magnetospherically trapped hot plasma, this model yields moment calculations that vary by up to a factor of two for various potential energy structures with the same total potential drop. The differences are much greater for the high-latitude outflow scenario, giving order of magnitude variations depending on the shape of the potential energy distribution.

Deflection of cross-ply composite laminates induced by piezoelectric actuators.

PubMed

Her, Shiuh-Chuan; Lin, Chi-Sheng

2010-01-01

The coupling effects between the mechanical and electric properties of piezoelectric materials have drawn significant attention for their potential applications as sensors and actuators. In this investigation, two piezoelectric actuators are symmetrically surface bonded on a cross-ply composite laminate. Electric voltages with the same amplitude and opposite sign are applied to the two symmetric piezoelectric actuators, resulting in the bending effect on the laminated plate. The bending moment is derived by using the classical laminate theory and piezoelectricity. The analytical solution of the flexural displacement of the simply supported composite plate subjected to the bending moment is solved by using the plate theory. The analytical solution is compared with the finite element solution to show the validation of present approach. The effects of the size and location of the piezoelectric actuators on the response of the composite laminate are presented through a parametric study. A simple model incorporating the classical laminate theory and plate theory is presented to predict the deformed shape of the simply supported laminate plate.

Managing wilderness recreation use: common problems and potential solutions

Treesearch

David N. Cole; Margaret E. Petersen; Robert C. Lucas

1987-01-01

Describes pros and cons of potential solutions to common wilderness recreation problems. Covers the purpose of each potential solution, costs to visitors and management, effectiveness, other considerations, and sources of additional information.

Activities of the NASA sponsored SRI technology applications team in transferring aerospace technology to the public sector

NASA Technical Reports Server (NTRS)

Berke, J. G.

1971-01-01

The organization and functions of an interdisciplinary team for the application of aerospace generated technology to the solution of discrete technological problems within the public sector are presented. The interdisciplinary group formed at Stanford Research Institute, California is discussed. The functions of the group are to develop and conduct a program not only optimizing the match between public sector technological problems in criminalistics, transportation, and the postal services and potential solutions found in the aerospace data base, but ensuring that appropriate solutions are acutally utilized. The work accomplished during the period from July 1, 1970 to June 30, 1971 is reported.

Analytical Solution of Coupled Perturbation of Tesseral Harmonic Terms of Mars's Non-Spherical Gravitational Potential

NASA Astrophysics Data System (ADS)

Zhou, Chui-hong; Yu, Sheng-xian; Liu, Lin

2012-10-01

The non-spherical gravitational potential of the planet Mars is sig- nificantly different from that of the Earth. The magnitudes of Mars' tesseral harmonic coefficients are basically ten times larger than the corresponding val- ues of the Earth. Especially, the magnitude of its second degree and order tesseral harmonic coefficient J2,2 is nearly 40 times that of the Earth, and approaches to the one tenth of its second zonal harmonic coefficient J2. For a low-orbit Mars probe, if the required accuracy of orbit prediction of 1-day arc length is within 500 m (equivalent to the order of magnitude of 10-4 standard unit), then the coupled terms of J2 with the tesseral harmonics, and even those of the tesseral harmonics themselves, which are negligible for the Earth satellites, should be considered when the analytical perturbation solution of its orbit is built. In this paper, the analytical solutions of the coupled terms are presented. The anal- ysis and numerical verification indicate that the effect of the above-mentioned coupled perturbation on the orbit may exceed 10-4 in the along-track direc- tion. The conclusion is that the solutions of Earth satellites cannot be simply used without any modification when dealing with the analytical perturbation solutions of Mars-orbiting satellites, and that the effect of the coupled terms of Mars's non-spherical gravitational potential discussed in this paper should be taken into consideration.

Intermediate accelerated solutions as generic late-time attractors in a modified Jordan-Brans-Dicke theory

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

Cid, Antonella; Leon, Genly; Leyva, Yoelsy, E-mail: acidm@ubiobio.cl, E-mail: genly.leon@ucv.cl, E-mail: yoelsy.leyva@uta.cl

2016-02-01

In this paper we investigate the evolution of a Jordan-Brans-Dicke scalar field, Φ, with a power-law potential in the presence of a second scalar field, φ, with an exponential potential, in both the Jordan and the Einstein frames. We present the relation of our model with the induced gravity model with power-law potential and the integrability of this kind of models is discussed when the quintessence field φ is massless, and has a small velocity. The fact that for some fine-tuned values of the parameters we may get some integrable cosmological models, makes our choice of potentials very interesting. Wemore » prove that in Jordan-Brans-Dicke theory, the de Sitter solution is not a natural attractor. Instead, we show that the attractor in the Jordan frame corresponds to an ''intermediate accelerated'' solution of the form a(t) ≅ e{sup α{sub 1} t{sup p{sup {sub 1}}}}, as t → ∞ where α{sub 1} > 0 and 0 < p{sub 1} < 1, for a wide range of parameters. Furthermore, when we work in the Einstein frame we get that the attractor is also an ''intermediate accelerated'' solution of the form a(t) ≅ e{sup α{sub 2} tp{sub 2}} as t → ∞ where α{sub 2} > 0 and 0« less

Universal calculational recipe for solvent-mediated potential: based on a combination of integral equation theory and density functional theory

NASA Astrophysics Data System (ADS)

Zhou, Shiqi

2004-07-01

A universal formalism, which enables calculation of solvent-mediated potential (SMP) between two equal or non-equal solute particles with any shape immersed in solvent reservior consisting of atomic particle and/or polymer chain or their mixture, is proposed by importing a density functional theory externally into OZ equation systems. Only if size asymmetry of the solvent bath components is moderate, the present formalism can calculate the SMP in any complex fluids at the present development stage of statistical mechanics, and therefore avoids all of limitations of previous approaches for SMP. Preliminary calculation indicates the reliability of the present formalism.

Chemical Speciation and Bond Lengths of Organic Solutes by Core-Level Spectroscopy: pH and Solvent Influence on p-Aminobenzoic Acid.

PubMed

Stevens, Joanna S; Gainar, Adrian; Suljoti, Edlira; Xiao, Jie; Golnak, Ronny; Aziz, Emad F; Schroeder, Sven L M

2015-05-04

Through X-ray absorption and emission spectroscopies, the chemical, electronic and structural properties of organic species in solution can be observed. Near-edge X-ray absorption fine structure (NEXAFS) and resonant inelastic X-ray scattering (RIXS) measurements at the nitrogen K-edge of para-aminobenzoic acid reveal both pH- and solvent-dependent variations in the ionisation potential (IP), 1s→π* resonances and HOMO-LUMO gap. These changes unequivocally identify the chemical species (neutral, cationic or anionic) present in solution. It is shown how this incisive chemical state sensitivity is further enhanced by the possibility of quantitative bond length determination, based on the analysis of chemical shifts in IPs and σ* shape resonances in the NEXAFS spectra. This provides experimental access to detecting even minor variations in the molecular structure of solutes in solution, thereby providing an avenue to examining computational predictions of solute properties and solute-solvent interactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Impact of fluorescent lighting on the browning potential of model wine solutions containing organic acids and iron.

PubMed

Grant-Preece, Paris; Barril, Celia; Schmidtke, Leigh M; Clark, Andrew C

2018-03-15

Model wine solutions containing organic acids, individually or combined, and iron(III), were exposed to light from fluorescent lamps or stored in darkness for four hours. (-)-Epicatechin was then added, and the solutions incubated in darkness for 10days. Browning was monitored by UV-visible absorption spectrophotometry and UHPLC-DAD. The pre-irradiated solutions containing tartaric acid exhibited increased yellow/brown coloration compared to the dark controls mainly due to reaction of the tartaric acid photodegradation product glyoxylic acid with (-)-epicatechin to form xanthylium cation pigments. In these solutions, browning decreased as the concentrations of organic acids other than tartaric acid increased. Xanthylium cations were also detected in the pre-irradiated malic acid solution. However, in the malic acid, succinic acid, citric acid and lactic acid solutions, any coloration was mainly due to the production of dehydrodiepicatechin A, which was largely independent of prior light exposure, but strongly affected by the organic acid present. Copyright © 2017 Elsevier Ltd. All rights reserved.

Cosmological solutions of low-energy heterotic M theory

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

Copeland, Edmund J.; Ellison, James; Roberts, Jonathan

We derive a set of exact cosmological solutions to the D=4, N=1 supergravity description of heterotic M theory. Having identified a new and exact SU(3) Toda model solution, we then apply symmetry transformations to both this solution and to a previously known SU(2) Toda model, in order to derive two further sets of new cosmological solutions. In the symmetry-transformed SU(3) Toda case we find an unusual bouncing motion for the M5 brane, such that this brane can be made to reverse direction part way through its evolution. This bounce occurs purely through the interaction of nonstandard kinetic terms, as theremore » are no explicit potentials in the action. We also present a perturbation calculation which demonstrates that, in a simple static limit, heterotic M theory possesses a scale-invariant isocurvature mode. This mode persists in certain asymptotic limits of all the solutions we have derived, including the bouncing solution.« less

Osmotic potential calculations of inorganic and organic aqueous solutions over wide solute concentration levels and temperatures

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

Cochrane, T. T., E-mail: agteca@hotmail.com; Cochrane, T. A., E-mail: tom.cochrane@canterbury.ac.nz

Purpose: To demonstrate that the authors’ new “aqueous solution vs pure water” equation to calculate osmotic potential may be used to calculate the osmotic potentials of inorganic and organic aqueous solutions over wide ranges of solute concentrations and temperatures. Currently, the osmotic potentials of solutions used for medical purposes are calculated from equations based on the thermodynamics of the gas laws which are only accurate at low temperature and solute concentration levels. Some solutions used in medicine may need their osmotic potentials calculated more accurately to take into account solute concentrations and temperatures. Methods: The authors experimented with their newmore » equation for calculating the osmotic potentials of inorganic and organic aqueous solutions up to and beyond body temperatures by adjusting three of its factors; (a) the volume property of pure water, (b) the number of “free” water molecules per unit volume of solution, “N{sub f},” and (c) the “t” factor expressing the cooperative structural relaxation time of pure water at given temperatures. Adequate information on the volume property of pure water at different temperatures is available in the literature. However, as little information on the relative densities of inorganic and organic solutions, respectively, at varying temperatures needed to calculate N{sub f} was available, provisional equations were formulated to approximate values. Those values together with tentative t values for different temperatures chosen from values calculated by different workers were substituted into the authors’ equation to demonstrate how osmotic potentials could be estimated over temperatures up to and beyond bodily temperatures. Results: The provisional equations formulated to calculate N{sub f}, the number of free water molecules per unit volume of inorganic and organic solute solutions, respectively, over wide concentration ranges compared well with the calculations of N{sub f} using recorded relative density data at 20 °C. They were subsequently used to estimate N{sub f} values at temperatures up to and excess of body temperatures. Those values, together with t values at temperatures up to and in excess of body temperatures recorded in the literature, were substituted in the authors’ equation for the provisional calculation of osmotic potentials. The calculations indicated that solution temperatures and solute concentrations have a marked effect on osmotic potentials. Conclusions: Following work to measure the relative densities of aqueous solutions for the calculation of N{sub f} values and the determination of definitive t values up to and beyond bodily temperatures, the authors’ equation would enable the accurate estimations of the osmotic potentials of wide concentrations of aqueous solutions of inorganic and organic solutes over the temperature range. The study illustrates that not only solute concentrations but also temperatures have a marked effect on osmotic potentials, an observation of medical and biological significance.« less

Shear and compression buckling analysis for anisotropic panels with centrally located elliptical cutouts

NASA Technical Reports Server (NTRS)

Britt, V. O.

1993-01-01

An approximate analysis for buckling of biaxial- and shear-loaded anisotropic panels with centrally located elliptical cutouts is presented in the present paper. The analysis is composed of two parts, a prebuckling analysis and a buckling analysis. The prebuckling solution is determined using Lekhnitskii's complex variable equations of plane elastostatics combined with a Laurent series approximation and a boundary collocation method. The buckling solution is obtained using the principle of minimum potential energy. A by-product of the minimum potential energy equation is an integral equation which is solved using Gaussian quadrature. Comparisons with documented experimental results and finite element analyses indicate that the approximate analysis accurately predicts the buckling loads of square biaxial- and shear-loaded panels having elliptical cutouts with major axes up to sixty percent of the panel width. Results of a parametric study are presented for shear- and compression-loaded rectangular anisotropic panels with elliptical cutouts. The effects of panel aspect ratio, cutout shape, cutout size, cutout orientation, laminate anisotropy, and combined loading on the buckling load are examined.

Maximally slicing a black hole.

NASA Technical Reports Server (NTRS)

Estabrook, F.; Wahlquist, H.; Christensen, S.; Dewitt, B.; Smarr, L.; Tsiang, E.

1973-01-01

Analytic and computer-derived solutions are presented of the problem of slicing the Schwarzschild geometry into asymptotically flat, asymptotically static, maximal spacelike hypersurfaces. The sequence of hypersurfaces advances forward in time in both halves (u greater than or equal to 0, u less than or equal to 0) of the Kruskal diagram, tending asymptotically to the hypersurface r = 3/2 M and avoiding the singularity at r = 0. Maximality is therefore a potentially useful condition to impose in obtaining computer solutions of Einstein's equations.

Exact Exchange calculations for periodic systems: a real space approach

NASA Astrophysics Data System (ADS)

Natan, Amir; Marom, Noa; Makmal, Adi; Kronik, Leeor; Kuemmel, Stephan

2011-03-01

We present a real-space method for exact-exchange Kohn-Sham calculations of periodic systems. The method is based on self-consistent solutions of the optimized effective potential (OEP) equation on a three-dimensional non-orthogonal grid, using norm conserving pseudopotentials. These solutions can be either exact, using the S-iteration approach, or approximate, using the Krieger, Li, and Iafrate (KLI) approach. We demonstrate, using a variety of systems, the importance of singularity corrections and use of appropriate pseudopotentials.

An integrated microrobotic platform for on-demand, targeted therapeutic interventions.

PubMed

Fusco, Stefano; Sakar, Mahmut Selman; Kennedy, Stephen; Peters, Christian; Bottani, Rocco; Starsich, Fabian; Mao, Angelo; Sotiriou, Georgios A; Pané, Salvador; Pratsinis, Sotiris E; Mooney, David; Nelson, Bradley J

2014-02-12

The presented microrobotic platform combines together the advantages of self-folding NIR light sensitive polymer bilayers, magnetic alginate microbeads, and a 3D manipulation system, to propose a solution for targeted, on-demand drug and cell delivery. First feasibility studies are presented together with the potential of the full design. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Elliptical field-of-view PROPELLER imaging.

PubMed

Devaraj, Ajit; Pipe, James G

2009-09-01

Traditionally two-dimensional scans are designed to support an isotropic field-of-view (iFOV). When imaging elongated objects, significant savings in scan time can potentially be achieved by supporting an elliptical field-of-view (eFOV). This work presents an empirical closed-form solution to adapt the PROPELLER trajectory for an eFOV. The proposed solution is built on the geometry of the PROPELLER trajectory permitting the scan prescription and data reconstruction to remain largely similar to standard PROPELLER. The achieved FOV is experimentally validated by the point spread function (PSF) of a phantom scan. The details of potential savings in scan time and the signal-to-noise ratio (SNR) performance in comparison to iFOV scans for both phantom and in-vivo images are also described.

A Multi-Parametric Device with Innovative Solid Electrodes for Long-Term Monitoring of pH, Redox-Potential and Conductivity in a Nuclear Waste Repository

PubMed Central

Daoudi, Jordan; Betelu, Stephanie; Tzedakis, Theodore; Bertrand, Johan; Ignatiadis, Ioannis

2017-01-01

We present an innovative electrochemical probe for the monitoring of pH, redox potential and conductivity in near-field rocks of deep geological radioactive waste repositories. The probe is composed of a monocrystalline antimony electrode for pH sensing, four AgCl/Ag-based reference or Cl− selective electrodes, one Ag2S/Ag-based reference or S2− selective electrode, as well as four platinum electrodes, a gold electrode and a glassy-carbon electrode for redox potential measurements. Galvanostatic electrochemistry impedance spectroscopy using AgCl/Ag-based and platinum electrodes measure conductivity. The use of such a multi-parameter probe provides redundant information, based as it is on the simultaneous behaviour under identical conditions of different electrodes of the same material, as well as on that of electrodes made of different materials. This identifies the changes in physical and chemical parameters in a solution, as well as the redox reactions controlling the measured potential, both in the solution and/or at the electrode/solution interface. Understanding the electrochemical behaviour of selected materials thus is a key point of our research, as provides the basis for constructing the abacuses needed for developing robust and reliable field sensors. PMID:28608820

Use of Electrochemical Noise (EN) Technique to Study the Effect of sulfate and Chloride Ions on Passivation and Pitting Corrosion Behavior of 316 Stainless Steel

NASA Astrophysics Data System (ADS)

Pujar, M. G.; Anita, T.; Shaikh, H.; Dayal, R. K.; Khatak, H. S.

2007-08-01

In the present paper, studies were conducted on AISI Type 316 stainless steel (SS) in deaerated solutions of sodium sulfate as well as sodium chloride to establish the effect of sulfate and chloride ions on the electrochemical corrosion behavior of the material. The experiments were conducted in deaerated solutions of 0.5 M sodium sulfate as well as 0.5 M sodium chloride using electrochemical noise (EN) technique at open circuit potential (OCP) to collect the correlated current and potential signals. Visual records of the current and potential, analysis of data to arrive at the statistical parameters, spectral density estimation using the maximum entropy method (MEM) showed that sulfate ions were incorporated in the passive film to strengthen the same. However, the adsorption of chloride ions resulted in pitting corrosion thereby adversely affecting noise resistance ( R N). Distinct current and potential signals were observed for metastable pitting, stable pitting and passive film build-up. Distinct changes in the values of the statistical parameters like R N and the spectral noise resistance at zero frequency ( R°SN) revealed adsorption and incorporation of sulfate and chloride ions on the passive film/solution interface.

A Multi-Parametric Device with Innovative Solid Electrodes for Long-Term Monitoring of pH, Redox-Potential and Conductivity in a Nuclear Waste Repository.

PubMed

Daoudi, Jordan; Betelu, Stephanie; Tzedakis, Theodore; Bertrand, Johan; Ignatiadis, Ioannis

2017-06-13

We present an innovative electrochemical probe for the monitoring of pH, redox potential and conductivity in near-field rocks of deep geological radioactive waste repositories. The probe is composed of a monocrystalline antimony electrode for pH sensing, four AgCl/Ag-based reference or Cl - selective electrodes, one Ag₂S/Ag-based reference or S 2- selective electrode, as well as four platinum electrodes, a gold electrode and a glassy-carbon electrode for redox potential measurements. Galvanostatic electrochemistry impedance spectroscopy using AgCl/Ag-based and platinum electrodes measure conductivity. The use of such a multi-parameter probe provides redundant information, based as it is on the simultaneous behaviour under identical conditions of different electrodes of the same material, as well as on that of electrodes made of different materials. This identifies the changes in physical and chemical parameters in a solution, as well as the redox reactions controlling the measured potential, both in the solution and/or at the electrode/solution interface. Understanding the electrochemical behaviour of selected materials thus is a key point of our research, as provides the basis for constructing the abacuses needed for developing robust and reliable field sensors.

ACCESS MARS: Study of the viability of Mars Caves as an alternative to surface-based habitation solutions

NASA Astrophysics Data System (ADS)

Perez-Poch, Antoni; Laufer, Ren; Zavaleta, Jhony; Davila, Alfonso; Gallardo, Beatriz; Antonakopoulos, Konstantinos; de Carufel, Guy

This paper summarizes a team project report that was produced during the Summer Space Program of the International Space University, held at NASA-Ames Research Center (CA, USA), by 56 students from 15 countries. Chair of the team project was René Laufer. Facilitators were Alfonso Dévila and Jhonny Zavaleta, and teacher associate supporting the team was a Beatriz Gallardo. Currently proposed Mars missions have identified a number of challenges such as high levels of radiation, harsh climate and limited launch windows. Recently discovered lava tubes on Mars present potential solutions to some of these issues, but raise a variety of intriguing new challenges. These encompass not only technological and engineering considerations, but also legal, ethical and societal issues such as planetary protection and crew safety. This paper assesses the feasibility of overcoming such challenges through the exploitation of Mars caves. Cave suitability is considered with respect to size, type, location and their potential to mitigate hazards. They are also assessed with respect to their potential for scientific work adhering to astrobiology guidelines and the search for extra-terrestrial life. This report compares surface and subsurface habitat options. Engineering challenges arising from the use of caves are addressed along with proposals for alternate architecture solutions. Different types of habitat are described and evaluated. The implications of sub-surface operations on thermal control, communications and power systems are investigated, and recommendations given. Crew selection, training methods and life support system solutions are also addressed. A Mission architecture analysis from the same Team Project is given in another paper from the same authors, at COSPAR 2010 B02 Technical Session. The ACCESS Mars Team concludes that using lava tubes as human habitats is not merely a viable habitat solution for a Mars expedition, but also potentially more beneficial than proposed surface solutions.

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

NASA Astrophysics Data System (ADS)

Minezawa, Noriyuki; Kato, Shigeki

2007-02-01

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

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

PubMed

Minezawa, Noriyuki; Kato, Shigeki

2007-02-07

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

The Modified Hartmann Potential Effects on γ-rigid Bohr Hamiltonian

NASA Astrophysics Data System (ADS)

Suparmi, A.; Cari, C.; Nur Pratiwi, Beta

2018-04-01

In this paper, we present the solution of Bohr Hamiltonian in the case of γ-rigid for the modified Hartmann potential. The modified Hartmann potential was formed from the original Hartmann potential, consists of β function and θ function. By using the separation method, the three-dimensional Bohr Hamiltonian equation was reduced into three one-dimensional Schrodinger-like equation which was solved analytically. The results for the wavefunction were shown in mathematically, while for the binding energy was solved numerically. The numerical binding energy for the presence of the modified Hartmann potential is lower than the binding energy value in the absence of modified Hartmann potential effect.

Mass Distribution and Gravitational Potential of the Milky Way

NASA Astrophysics Data System (ADS)

Ninković, Slobodan

2017-04-01

Models of mass distribution in the Milky Way are discussed where those yielding the potential analytically are preferred. It is noted that there are three main contributors to the Milky Way potential: bulge, disc and dark halo. In the case of the disc the Miyamoto-Nagai formula, as simple enough, has shown as a very good solution, but it has not been able to satisfy all requirements. Therefore, improvements, such as adding new terms or combining several Miyamoto-Nagai terms, have been attempted. Unlike the disc, in studying the bulge and dark halo the flattening is usually neglected, which offers the possibility of obtaining an exact solution of the Poisson equation. It is emphasized that the Hernquist formula, used very often for the bulge potential, is a special case of another formula and the properties of that formula are analysed. In the case of the dark halo, the slopes of its cumulative mass for the inner and outer parts are explained through a new formalism presented here for the first time.

The roles of the convex hull and the number of potential intersections in performance on visually presented traveling salesperson problems.

PubMed

Vickers, Douglas; Lee, Michael D; Dry, Matthew; Hughes, Peter

2003-10-01

The planar Euclidean version of the traveling salesperson problem requires finding the shortest tour through a two-dimensional array of points. MacGregor and Ormerod (1996) have suggested that people solve such problems by using a global-to-local perceptual organizing process based on the convex hull of the array. We review evidence for and against this idea, before considering an alternative, local-to-global perceptual process, based on the rapid automatic identification of nearest neighbors. We compare these approaches in an experiment in which the effects of number of convex hull points and number of potential intersections on solution performance are measured. Performance worsened with more points on the convex hull and with fewer potential intersections. A measure of response uncertainty was unaffected by the number of convex hull points but increased with fewer potential intersections. We discuss a possible interpretation of these results in terms of a hierarchical solution process based on linking nearest neighbor clusters.

Alternate solution to generalized Bernoulli equations via an integrating factor: an exact differential equation approach

NASA Astrophysics Data System (ADS)

Tisdell, C. C.

2017-08-01

Solution methods to exact differential equations via integrating factors have a rich history dating back to Euler (1740) and the ideas enjoy applications to thermodynamics and electromagnetism. Recently, Azevedo and Valentino presented an analysis of the generalized Bernoulli equation, constructing a general solution by linearizing the problem through a substitution. The purpose of this note is to present an alternative approach using 'exact methods', illustrating that a substitution and linearization of the problem is unnecessary. The ideas may be seen as forming a complimentary and arguably simpler approach to Azevedo and Valentino that have the potential to be assimilated and adapted to pedagogical needs of those learning and teaching exact differential equations in schools, colleges, universities and polytechnics. We illustrate how to apply the ideas through an analysis of the Gompertz equation, which is of interest in biomathematical models of tumour growth.

Cloud-based solution to identify statistically significant MS peaks differentiating sample categories.

PubMed

Ji, Jun; Ling, Jeffrey; Jiang, Helen; Wen, Qiaojun; Whitin, John C; Tian, Lu; Cohen, Harvey J; Ling, Xuefeng B

2013-03-23

Mass spectrometry (MS) has evolved to become the primary high throughput tool for proteomics based biomarker discovery. Until now, multiple challenges in protein MS data analysis remain: large-scale and complex data set management; MS peak identification, indexing; and high dimensional peak differential analysis with the concurrent statistical tests based false discovery rate (FDR). "Turnkey" solutions are needed for biomarker investigations to rapidly process MS data sets to identify statistically significant peaks for subsequent validation. Here we present an efficient and effective solution, which provides experimental biologists easy access to "cloud" computing capabilities to analyze MS data. The web portal can be accessed at http://transmed.stanford.edu/ssa/. Presented web application supplies large scale MS data online uploading and analysis with a simple user interface. This bioinformatic tool will facilitate the discovery of the potential protein biomarkers using MS.

Direct application of Padé approximant for solving nonlinear differential equations.

PubMed

Vazquez-Leal, Hector; Benhammouda, Brahim; Filobello-Nino, Uriel; Sarmiento-Reyes, Arturo; Jimenez-Fernandez, Victor Manuel; Garcia-Gervacio, Jose Luis; Huerta-Chua, Jesus; Morales-Mendoza, Luis Javier; Gonzalez-Lee, Mario

2014-01-01

This work presents a direct procedure to apply Padé method to find approximate solutions for nonlinear differential equations. Moreover, we present some cases study showing the strength of the method to generate highly accurate rational approximate solutions compared to other semi-analytical methods. The type of tested nonlinear equations are: a highly nonlinear boundary value problem, a differential-algebraic oscillator problem, and an asymptotic problem. The high accurate handy approximations obtained by the direct application of Padé method shows the high potential if the proposed scheme to approximate a wide variety of problems. What is more, the direct application of the Padé approximant aids to avoid the previous application of an approximative method like Taylor series method, homotopy perturbation method, Adomian Decomposition method, homotopy analysis method, variational iteration method, among others, as tools to obtain a power series solutions to post-treat with the Padé approximant. 34L30.

Constant-intensity waves and their modulation instability in non-Hermitian potentials

NASA Astrophysics Data System (ADS)

Makris, K. G.; Musslimani, Z. H.; Christodoulides, D. N.; Rotter, S.

2015-07-01

In all of the diverse areas of science where waves play an important role, one of the most fundamental solutions of the corresponding wave equation is a stationary wave with constant intensity. The most familiar example is that of a plane wave propagating in free space. In the presence of any Hermitian potential, a wave's constant intensity is, however, immediately destroyed due to scattering. Here we show that this fundamental restriction is conveniently lifted when working with non-Hermitian potentials. In particular, we present a whole class of waves that have constant intensity in the presence of linear as well as of nonlinear inhomogeneous media with gain and loss. These solutions allow us to study the fundamental phenomenon of modulation instability in an inhomogeneous environment. Our results pose a new challenge for the experiments on non-Hermitian scattering that have recently been put forward.

Numerical solution of a multi-ion one-potential model for electroosmotic flow in two-dimensional rectangular microchannels.

PubMed

Van Theemsche, Achim; Deconinck, Johan; Van den Bossche, Bart; Bortels, Leslie

2002-10-01

A new more general numerical model for the simulation of electrokinetic flow in rectangular microchannels is presented. The model is based on the dilute solution model and the Navier-Stokes equations and has been implemented in a finite-element-based C++ code. The model includes the ion distribution in the Helmholtz double layer and considers only one single electrical' potential field variable throughout the domain. On a charged surface(s) the surface charge density, which is proportional to the local electrical field, is imposed. The zeta potential results, then, from this boundary condition and depends on concentrations, temperature, ion valence, molecular diffusion coefficients, and geometric conditions. Validation cases show that the model predicts accurately known analytical results, also for geometries having dimensions comparable to the Debye length. As a final study, the electro-osmotic flow in a controlled cross channel is investigated.

Two-dimensional interaction of a shear flow with a free surface in a stratified fluid and its solitary-wave solutions via mathematical methods

NASA Astrophysics Data System (ADS)

Seadawy, Aly R.

2017-12-01

In this study, we presented the problem formulations of models for internal solitary waves in a stratified shear flow with a free surface. The nonlinear higher order of extended KdV equations for the free surface displacement is generated. We derived the coefficients of the nonlinear higher-order extended KdV equation in terms of integrals of the modal function for the linear long-wave theory. The wave amplitude potential and the fluid pressure of the extended KdV equation in the form of solitary-wave solutions are deduced. We discussed and analyzed the stability of the obtained solutions and the movement role of the waves by making graphs of the exact solutions.

Formal Solutions for Polarized Radiative Transfer. III. Stiffness and Instability

NASA Astrophysics Data System (ADS)

Janett, Gioele; Paganini, Alberto

2018-04-01

Efficient numerical approximation of the polarized radiative transfer equation is challenging because this system of ordinary differential equations exhibits stiff behavior, which potentially results in numerical instability. This negatively impacts the accuracy of formal solvers, and small step-sizes are often necessary to retrieve physical solutions. This work presents stability analyses of formal solvers for the radiative transfer equation of polarized light, identifies instability issues, and suggests practical remedies. In particular, the assumptions and the limitations of the stability analysis of Runge–Kutta methods play a crucial role. On this basis, a suitable and pragmatic formal solver is outlined and tested. An insightful comparison to the scalar radiative transfer equation is also presented.

Differential geometry based solvation model I: Eulerian formulation

NASA Astrophysics Data System (ADS)

Chen, Zhan; Baker, Nathan A.; Wei, G. W.

2010-11-01

This paper presents a differential geometry based model for the analysis and computation of the equilibrium property of solvation. Differential geometry theory of surfaces is utilized to define and construct smooth interfaces with good stability and differentiability for use in characterizing the solvent-solute boundaries and in generating continuous dielectric functions across the computational domain. A total free energy functional is constructed to couple polar and nonpolar contributions to the solvation process. Geometric measure theory is employed to rigorously convert a Lagrangian formulation of the surface energy into an Eulerian formulation so as to bring all energy terms into an equal footing. By optimizing the total free energy functional, we derive coupled generalized Poisson-Boltzmann equation (GPBE) and generalized geometric flow equation (GGFE) for the electrostatic potential and the construction of realistic solvent-solute boundaries, respectively. By solving the coupled GPBE and GGFE, we obtain the electrostatic potential, the solvent-solute boundary profile, and the smooth dielectric function, and thereby improve the accuracy and stability of implicit solvation calculations. We also design efficient second-order numerical schemes for the solution of the GPBE and GGFE. Matrix resulted from the discretization of the GPBE is accelerated with appropriate preconditioners. An alternative direct implicit (ADI) scheme is designed to improve the stability of solving the GGFE. Two iterative approaches are designed to solve the coupled system of nonlinear partial differential equations. Extensive numerical experiments are designed to validate the present theoretical model, test computational methods, and optimize numerical algorithms. Example solvation analysis of both small compounds and proteins are carried out to further demonstrate the accuracy, stability, efficiency and robustness of the present new model and numerical approaches. Comparison is given to both experimental and theoretical results in the literature.

Enhancement of transport of curcumin to brain in mice by poly( n-butylcyanoacrylate) nanoparticle

NASA Astrophysics Data System (ADS)

Sun, Min; Gao, Yan; Guo, Chenyu; Cao, Fengliang; Song, Zhimei; Xi, Yanwei; Yu, Aihua; Li, Aiguo; Zhai, Guangxi

2010-10-01

Curcumin, a widely used coloring agent and spice in food, has a potential in blocking brain tumor formation and curing Alzheimer's disease. Due to the specific properties of blood-brain barrier (BBB), only traces of curcumin were transported across BBB. The aim of the present study was to design and characterize curcumin loaded polybutylcyanoacrylate nanoparticles (PBCN) coated with polysorbate 80, and to evaluate the effect of PBCN as a delivery system on carrying curcumin across BBB. Curcumin loaded nanoparticles were prepared by an anionic polymerization method, and they presented in a core-shell spherical shape under transmission electron microscopy, with an average diameter of 152.0 nm. The average drug loading was 21.1%. Physicochemical status of curcumin in the nanoparticles was confirmed with differential scanning colorimetry and Fourier transform infrared spectroscopy. The in vitro release behavior of drug from the nanoparticles was fitted to a double phase kinetics model. The studies of pharmacokinetic and bio-distribution to brain were conducted in mice after intravenous administration of the nanoparticle formulation at the dose of 5 mg/kg and curcumin solution at the dose of 10 mg/kg via the tail vein. The results showed that in plasma, the area under concentration-time curve (AUC0-∞) for curcumin loaded nanoparticles was greater than that for the control solution, moreover, the mean residence time of curcumin loaded nanoparticles was 14-fold that of the control solution. In brain, AUC0-∞ for curcumin loaded nanoparticles was 2.53-fold that for the control solution. In conclusion, the present study demonstrated that PBCN could enhance the transport of curcumin to brain and have a potential as a delivery system to cross the BBB.

Differential geometry based solvation model I: Eulerian formulation

PubMed Central

Chen, Zhan; Baker, Nathan A.; Wei, G. W.

2010-01-01

This paper presents a differential geometry based model for the analysis and computation of the equilibrium property of solvation. Differential geometry theory of surfaces is utilized to define and construct smooth interfaces with good stability and differentiability for use in characterizing the solvent-solute boundaries and in generating continuous dielectric functions across the computational domain. A total free energy functional is constructed to couple polar and nonpolar contributions to the salvation process. Geometric measure theory is employed to rigorously convert a Lagrangian formulation of the surface energy into an Eulerian formulation so as to bring all energy terms into an equal footing. By minimizing the total free energy functional, we derive coupled generalized Poisson-Boltzmann equation (GPBE) and generalized geometric flow equation (GGFE) for the electrostatic potential and the construction of realistic solvent-solute boundaries, respectively. By solving the coupled GPBE and GGFE, we obtain the electrostatic potential, the solvent-solute boundary profile, and the smooth dielectric function, and thereby improve the accuracy and stability of implicit solvation calculations. We also design efficient second order numerical schemes for the solution of the GPBE and GGFE. Matrix resulted from the discretization of the GPBE is accelerated with appropriate preconditioners. An alternative direct implicit (ADI) scheme is designed to improve the stability of solving the GGFE. Two iterative approaches are designed to solve the coupled system of nonlinear partial differential equations. Extensive numerical experiments are designed to validate the present theoretical model, test computational methods, and optimize numerical algorithms. Example solvation analysis of both small compounds and proteins are carried out to further demonstrate the accuracy, stability, efficiency and robustness of the present new model and numerical approaches. Comparison is given to both experimental and theoretical results in the literature. PMID:20938489

Microelectrode generator-collector systems for electrolytic titration: theoretical and practical considerations.

PubMed

Bell, Christopher G; Seelanan, Parinya; O'Hare, Danny

2017-10-23

Electochemical generator-collector systems, where one electrode is used to generate a reagent, have a potentially large field of application in sensing and measurement. We present a new theoretical description for coplanar microelectrode disc-disc systems where the collector is passive (such as a potentiometric sensor) and the generator is operating at constant flux. This solution is then used to develop a leading order solution for such a system where the reagent reacts reversibly in solution, such as in acid-base titration, where a hydrogen ion flux is generated by electrolysis of water. The principal novel result of the theory is that such devices are constrained by a maximum reagent flux. The hydrogen ion concentration at the collector will only reflect the buffer capacity of the bulk solution if this constraint is met. Both mathematical solutions are evaluated with several microfabricated devices and reasonable agreement with theory is demonstrated.

Intrinsic Viscosity of Dendrimers via Equilibrium Molecular Dynamics

NASA Astrophysics Data System (ADS)

Drew, Phil; Adolf, David

2004-03-01

Equilibrium molecular dynamics simulations of dendrimers in dilute solution have been performed using dl-poly. Analysis of the system stress tensor via the Green-Kubo formula produces the viscosity of the dendrimer solution which, when coupled with that of a solvent only system leads to the intrinsic viscosity of the dendrimer solute. Particular attention has been paid to error analysis as the auto-correlation of the stress tensor exhibits a long time tail, potentially leading to large uncertainties in the solution, and hence intrinsic, viscosities. In order to counter this effect and provide reliable statistical averaging, simulations have been run spanning very many times the longest system relaxation. Comparison is made to previous studies, using different techniques, which suggest a peak in the intrinsic viscosity of dendrimers at around generation four. Results are also presented from investigations in to the individual contributions to the system stress tensor from the solvent and the solute.

Black hole and cosmos with multiple horizons and multiple singularities in vector-tensor theories

NASA Astrophysics Data System (ADS)

Gao, Changjun; Lu, Youjun; Yu, Shuang; Shen, You-Gen

2018-05-01

A stationary and spherically symmetric black hole (e.g., Reissner-Nordström black hole or Kerr-Newman black hole) has, at most, one singularity and two horizons. One horizon is the outer event horizon and the other is the inner Cauchy horizon. Can we construct static and spherically symmetric black hole solutions with N horizons and M singularities? The de Sitter cosmos has only one apparent horizon. Can we construct cosmos solutions with N horizons? In this article, we present the static and spherically symmetric black hole and cosmos solutions with N horizons and M singularities in the vector-tensor theories. Following these motivations, we also construct the black hole solutions with a firewall. The deviation of these black hole solutions from the usual ones can be potentially tested by future measurements of gravitational waves or the black hole continuum spectrum.

Periodic wave, breather wave and travelling wave solutions of a (2 + 1)-dimensional B-type Kadomtsev-Petviashvili equation in fluids or plasmas

NASA Astrophysics Data System (ADS)

Hu, Wen-Qiang; Gao, Yi-Tian; Jia, Shu-Liang; Huang, Qian-Min; Lan, Zhong-Zhou

2016-11-01

In this paper, a (2 + 1)-dimensional B-type Kadomtsev-Petviashvili equation is investigated, which has been presented as a model for the shallow water wave in fluids or the electrostatic wave potential in plasmas. By virtue of the binary Bell polynomials, the bilinear form of this equation is obtained. With the aid of the bilinear form, N -soliton solutions are obtained by the Hirota method, periodic wave solutions are constructed via the Riemann theta function, and breather wave solutions are obtained according to the extended homoclinic test approach. Travelling waves are constructed by the polynomial expansion method as well. Then, the relations between soliton solutions and periodic wave solutions are strictly established, which implies the asymptotic behaviors of the periodic waves under a limited procedure. Furthermore, we obtain some new solutions of this equation by the standard extended homoclinic test approach. Finally, we give a generalized form of this equation, and find that similar analytical solutions can be obtained from the generalized equation with arbitrary coefficients.

Symmetry breaking in (gravitating) scalar field models describing interacting boson stars and Q-balls

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

Brihaye, Yves; Caebergs, Thierry; Hartmann, Betti

2009-09-15

We investigate the properties of interacting Q-balls and boson stars that sit on top of each other in great detail. The model that describes these solutions is essentially a (gravitating) two-scalar field model where both scalar fields are complex. We construct interacting Q-balls or boson stars with arbitrarily small charges but finite mass. We observe that in the interacting case--where the interaction can be either due to the potential or due to gravity--two types of solutions exist for equal frequencies: one for which the two-scalar fields are equal, but also one for which the two-scalar fields differ. This constitutes amore » symmetry breaking in the model. While for Q-balls asymmetric solutions have always corresponding symmetric solutions and are thus likely unstable to decay to symmetric solutions with lower energy, there exists a parameter regime for interacting boson stars, where only asymmetric solutions exist. We present the domain of existence for two interacting nonrotating solutions as well as for solutions describing the interaction between rotating and nonrotating Q-balls and boson stars, respectively.« less

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

Isfahani, RN; Moghaddam, S

An experimental study on absorption characteristics of water vapor into a thin lithium bromide (LiBr) solution flow is presented. The LiBr solution flow is constrained between a superhydrophobic vapor permeable wall and a solid surface that removes the heat of absorption. As opposed to conventional falling film absorbers, in this configuration, the solution film thickness and velocity can be controlled independently to enhance the absorption rate. The effects of water vapor pressure, cooling surface temperature, solution film thickness, and solution flow velocity on the absorption rate are studied. An absorption rate of approximately 0.006 kg/m(2) s was measured at amore » LiBr solution channel thickness and flow velocity of 100 mu m and 5 mm/s, respectively. The absorption rate increased linearly with the water vapor driving potential at the test conditions of this study. It was demonstrated that decreasing the solution film thickness and increasing the solution velocity enhance the absorption rate. The high absorption rate and the inherently compact form of the proposed,absorber facilitate development of compact small-scale waste heat or solar-thermal driven cooling systems. Published by Elsevier Ltd.« less

Potential impact of flowback water from hydraulic fracturing on agricultural soil quality: Metal/metalloid bioaccessibility, Microtox bioassay, and enzyme activities.

PubMed

Chen, Season S; Sun, Yuqing; Tsang, Daniel C W; Graham, Nigel J D; Ok, Yong Sik; Feng, Yujie; Li, Xiang-Dong

2017-02-01

Hydraulic fracturing has advanced the development of shale gas extraction, while inadvertent spills of flowback water may pose a risk to the surrounding environment due to its high salt content, metals/metalloids (As, Se, Fe and Sr), and organic additives. This study investigated the potential impact of flowback water on four representative soils from shale gas regions in Northeast China using synthetic flowback solutions. The compositions of the solutions were representative of flowback water arising at different stages after fracturing well establishment. The effects of solution composition of flowback water on soil ecosystem were assessed in terms of metal mobility and bioaccessibility, as well as biological endpoints using Microtox bioassay (Vibrio fischeri) and enzyme activity tests. After one-month artificial aging of the soils with various flowback solutions, the mobility and bioaccessibility of As(V) and Se(VI) decreased as the ionic strength of the flowback solutions increased. The results inferred a stronger binding affinity of As(V) and Se(VI) with the soils. Nevertheless, the soil toxicity to Vibrio fischeri only presented a moderate increase after aging, while dehydrogenase and phosphomonoesterase activities were significantly suppressed with increasing ionic strength of flowback solutions. On the contrary, polyacrylamide in the flowback solutions led to higher dehydrogenase activity. These results indicated that soil enzyme activities were sensitive to the composition of flowback solutions. A preliminary human health risk assessment related to As(V) suggested a low level of cancer risk through exposure via ingestion, while holistic assessment of environmental implications is required. Copyright © 2016 Elsevier B.V. All rights reserved.

An efficient flexible-order model for 3D nonlinear water waves

NASA Astrophysics Data System (ADS)

Engsig-Karup, A. P.; Bingham, H. B.; Lindberg, O.

2009-04-01

The flexible-order, finite difference based fully nonlinear potential flow model described in [H.B. Bingham, H. Zhang, On the accuracy of finite difference solutions for nonlinear water waves, J. Eng. Math. 58 (2007) 211-228] is extended to three dimensions (3D). In order to obtain an optimal scaling of the solution effort multigrid is employed to precondition a GMRES iterative solution of the discretized Laplace problem. A robust multigrid method based on Gauss-Seidel smoothing is found to require special treatment of the boundary conditions along solid boundaries, and in particular on the sea bottom. A new discretization scheme using one layer of grid points outside the fluid domain is presented and shown to provide convergent solutions over the full physical and discrete parameter space of interest. Linear analysis of the fundamental properties of the scheme with respect to accuracy, robustness and energy conservation are presented together with demonstrations of grid independent iteration count and optimal scaling of the solution effort. Calculations are made for 3D nonlinear wave problems for steep nonlinear waves and a shoaling problem which show good agreement with experimental measurements and other calculations from the literature.

Health Care Issues of Incarcerated Women.

ERIC Educational Resources Information Center

McGaha, Glenda S.

1987-01-01

Presents health profile of the female offender. Discusses needs in areas of gynecology, breast assessment, and health education and services related to childbearing and parenting. Describes incarcerated health care delivery system and looks to communication and education, nursing personnel, and community resources for potential solutions to…

PPCPS: OVERVIEW OF SOURCES, ENVIRONMENTAL IMPACTS, AND SOLUTIONS

EPA Science Inventory

This presentation briefly summarizes some of what is known and not known about the occurrence of drugs in the environment, the potential for chronic effects on wildlife (and some instances of acute effects), the relevance of drug residues in drinking water to consumer risk percep...

A quantitative approach to aquifer vulnerability mapping

NASA Astrophysics Data System (ADS)

Connell, L. D.; Daele, Gerd van den

2003-05-01

This paper presents a procedure for calculating the transport to groundwater of surface-released contaminants. The approach is derived from a series of analytical and semi-analytical solutions to the advection-dispersion equation that include root zone and unsaturated water movement effects on the transport process. The steady-state form of these equations provides an efficient means of calculating the maximum concentration at the watertable and therefore has potential for use in vulnerability mapping. A two-layer approach is used in the solutions to represent the unsaturated profile, with the root zone corresponding to the upper layer where evapotranspiration can occur and transport properties can be in contrast to the rest of the profile. A novel transformation is applied to the advection-dispersion equation that considerably simplifies the way in which water movement is represented. To provide a combined flow and transport model an approximate procedure for water movement, using averages of the infiltration and transpiration rates with a novel, simple, quasi-steady state solution, is presented that can be used in conjunction with the solutions to the advection-dispersion equation. This quasi-steady state approximation for water movement allows for layering in the soil profile and root water uptake. Results from the combined quasi-steady state water movement and semi-analytical solute transport procedure compare well with numerical solutions to the coupled unsaturated flow and solute transport equations in a series of hypothetical simulations.

Protective effect of mannitol, glucose-fructose-sucrose-maltose mixture, and natural honey hyperosmolar solutions against ethanol-induced gastric mucosal damage in rats.

PubMed

Gharzouli, K; Gharzouli, A; Amira, S; Khennouf, S

2001-06-01

We have previously shown that natural honey is able to protect the rat stomach against acute ethanol- and indomethacin-induced lesions. The present investigations were undertaken to examine the role of intraluminal osmolality in this protective effect. Mannitol, glucose-fructose-sucrose-maltose mixture (GFSM) and natural honey (300, 600, 1800 mOsmol/kg water) were given orally to rats 30 min before administration of 70% ethanol for a further 15-min period. Lesions area of the excised stomachs were evaluated. Pylorus-ligated stomachs were filled with mannitol, GFSM mixture and honey (1800 mOsmol/kg water) to test the effect of the hyperosmolar solutions on gastric fluid content and acid secretion. The rate of gastric emptying of the three test solutions (1800 mOsmol/kg) was measured by the phenol red method. Intragastric administration of mannitol, GFSM mixture or honey prevented the formation of mucosal lesions in an osmolality-dependent manner. Using the pylorus-ligated stomach model, the test solutions led to a net increase of luminal fluid volume without affecting acid content. Hyperosmolar solutions presented a delayed gastric emptying if compared to a nonnutrient solution made of carboxymethyl cellulose. The observed results suggest that hyperosmolar solutions can prevent the formation of hemorrhagic lesions by luminal dilution of the necrotising agent and acid, an effect which may be potentiated by a lowered gastric emptying rate.

Analytical solution of two-fluid electro-osmotic flows of viscoelastic fluids.

PubMed

Afonso, A M; Alves, M A; Pinho, F T

2013-04-01

This paper presents an analytical model that describes a two-fluid electro-osmotic flow of stratified fluids with Newtonian or viscoelastic rheological behavior. This is the principle of operation of an electro-osmotic two-fluid pump as proposed by Brask et al. [Tech. Proc. Nanotech., 1, 190-193, 2003], in which an electrically non-conducting fluid is transported by the interfacial dragging viscous force of a conducting fluid that is driven by electro-osmosis. The electric potential in the conducting fluid and the analytical steady flow solution of the two-fluid electro-osmotic stratified flow in a planar microchannel are presented by assuming a planar interface between the two immiscible fluids with Newtonian or viscoelastic rheological behavior. The effects of fluid rheology, shear viscosity ratio, holdup and interfacial zeta potential are analyzed to show the viability of this technique, where an enhancement of the flow rate is observed as the shear-thinning effects are increased. Copyright © 2012 Elsevier Inc. All rights reserved.

A novel broadband impedance method for detection of cell-derived microparticles

PubMed Central

Lvovich, Vadim; Srikanthan, Sowmya; Silverstein, Roy L.

2010-01-01

A novel label-free method is presented to detect and quantify cell-derived microparticles (MPs) by the electrochemical potential-modulated electrochemical impedance spectroscopy (EIS). MPs are present in elevated concentrations during pathological conditions and play a major role in the establishment and pathogenesis of many diseases. Considering this, accurate detection and quantification of MPs is very important in clinical diagnostics and therapeutics. A combination of bulk solution electrokinetic sorting and interfacial impedance responses allows achieving detection limits as low as several MPs per µL. By fitting resulting EIS spectra with an equivalent electrical circuit, the bulk solution electrokinetic and interfacial impedance responses were characterized. In the bulk solution two major relaxations were prominent - β-relaxation in low MHz region due to the MP capacitive membrane bridging, and α-relaxation at ∼ 10 kHz due to counter ions diffusion. At low frequencies (10-0.1 Hz) at electrochemical potentials exceeding −100 mV, a facile interfacial Faradaic process of oxidation in MPs coupled with diffusion and non Faradaic double layer charging dominate, probably due to oxidation of phospholipids and/or proteins on the MP surface and MP lysis. Buffer influence on the MP detection demonstrated that that a relatively low conductivity Tyrode’s buffer background solution is preferential for the MP electrokinetic separation and characterization. This study also demonstrated that standard laboratory methods such as flow cytometry underestimate MP concentrations, especially those with smaller average sizes, by as much as a factor of 2 to 40. PMID:20729061

Potential of Zero Charge and Its Temperature Derivative for Au(111) Electrode|Alkanethiol SAM|1.0 M Aqueous Electrolyte Solution Interfaces: Impact of Electrolyte Solution Ionic Strength and Its Effect on the Structure of the Modified Electrode|Electrolyte Solution Interface

DOE PAGES

Smalley, John F.

2017-04-06

In this study, we demonstrate how small and rapid temperature perturbations (produced by the indirect laser-induced temperature jump (ILIT) technique) of solid metal electrode|electrolyte solution interfaces may be used to determine the potential of zero (total) charge (E pzc) and its temperature derivativemore » $$\\left(\\frac{dEpzc}{dT}\\right)$$ of Au(111) electrode surfaces modified by alkanethiol self-assembled monolayers in contact with high ionic strength (i.e., 1.0 M) aqueous electrolyte solutions. The E pzc’s measured for two different types of SAMs (made from either HS(CH 2) n-1CH 3 (5 ≤ n ≤ 12, E pzc = -(0.99 ± 0.12) V vs SSCE) or HS(CH 2) nOH (3 ≤ n ≤ 16, E pzc = (0.46 ± 0.22) V vs SSCE)) are considerably different than those measured previously at much lower electrolyte solution ionic strengths. For mixed monolayers made from both HS(CH 2) n-1CH 3 and HS(CH 2) nFc (where Fc refers to ferrocene), the difference in Epzc decreases as a function of the surface concentration of the Fc moiety (i.e., [Fc]), and it completely disappears at a surprisingly small [Fc] (~4.0 × 10 –11 mol cm –2). These observations for the Au(111)|hydrophobic (neat and mixed) SAM|aqueous electrolyte solution interfaces, along with the surface potentials (g Sml(dip)) evaluated for the contacting electrolyte solution surfaces of these interfaces, are consistent with a structure for the water molecule components of these surfaces where there is a net orientation of the dipoles of these molecules. Accordingly, the negative (oxygen) ends of these molecules point toward the SAM surface. The positive values of g Sml(dip) evaluated for hydrophilic SAM (e.g., made from HS(CH 2) nOH)|aqueous electrolyte solution interfaces) also indicate that the structure of these interfaces is similar to that of the hydrophobic interfaces. However, g Sml(dip) decreases with increasing ionic strength for the hydrophilic interfaces, while it increases with increasing ionic strength for the hydrophobic interfaces. The data (and calculations) reported in the present work and other studies of hydrophobic (and hydrophilic)|aqueous solution interfaces are as yet insufficient to support a complete explanation for the effects of ionic strength observed in the present study. Nevertheless, an analysis based upon the value of $$\\left(\\frac{dEpzc}{dT}\\right)$$ (= (0.51 ± 0.12) mV/K, essentially the same for SAMs made from both HS(CH 2) n-1CH 3 and HS(CH 2) nOH), determined in the present study provides a further indication that upon formation of the SAM there is a partial charge transfer of electrons from the relevant gold atoms on the Au(111) surface to the sulfur atoms of the alkanethiols.« less

Geometry of Pt(IV) in H 2PtCl 6 aqueous solution: An X-ray absorption spectroscopic investigation

NASA Astrophysics Data System (ADS)

Chen, Xing; Chu, Wangsheng; Wang, Lei; Wu, Ziyu

2009-02-01

The noble metal ions play an important role in many chemical reactions, but at the present time they represent also potentially new environmental contaminants. There is relatively little information available to adequately assess the potential health hazards, so that to evaluate the potential hazards and identify the necessary actions to reduce the risks associated with exposure to these metals and their compounds it is important to understand the local structure around noble metal ions. In this contribution, the local coordination around platinum (IV) ions e.g., Pt 4+ in aqueous solution, has been investigated by using X-ray absorption spectroscopy (XAS). X-ray absorption near-edge spectra (XANES) of both [PtCl 6] 2- and [PtCl 4(OH) 2] 2- in an aqueous solution have been calculated using FEFF8.2 and both are characterized by an octahedral geometry. From these calculations, we may also assign a characteristic post-edge feature to a contribution of Cl d-states. From the EXAFS analysis we also determined the corresponding Pt bond distances, e.g., 2.33 Å for the Pt-Cl distance and 2.03 Å for the Pt-O distance in these aqueous solutions. The same analysis provides evidence that the peaks in the Fourier transform at about 4.0 Å are due to multiple scattering collinear Cl-Pt-Cl contributions.

Human performance on visually presented Traveling Salesman problems.

PubMed

Vickers, D; Butavicius, M; Lee, M; Medvedev, A

2001-01-01

Little research has been carried out on human performance in optimization problems, such as the Traveling Salesman problem (TSP). Studies by Polivanova (1974, Voprosy Psikhologii, 4, 41-51) and by MacGregor and Ormerod (1996, Perception & Psychophysics, 58, 527-539) suggest that: (1) the complexity of solutions to visually presented TSPs depends on the number of points on the convex hull; and (2) the perception of optimal structure is an innate tendency of the visual system, not subject to individual differences. Results are reported from two experiments. In the first, measures of the total length and completion speed of pathways, and a measure of path uncertainty were compared with optimal solutions produced by an elastic net algorithm and by several heuristic methods. Performance was also compared under instructions to draw the shortest or the most attractive pathway. In the second, various measures of performance were compared with scores on Raven's advanced progressive matrices (APM). The number of points on the convex hull did not determine the relative optimality of solutions, although both this factor and the total number of points influenced solution speed and path uncertainty. Subjects' solutions showed appreciable individual differences, which had a strong correlation with APM scores. The relation between perceptual organization and the process of solving visually presented TSPs is briefly discussed, as is the potential of optimization for providing a conceptual framework for the study of intelligence.

Effects of anions and cations on the resting membrane potential of internally perfused barnacle muscle fibres

PubMed Central

Lakshminarayanaiah, N.; Rojas, E.

1973-01-01

1. Single barnacle muscle fibres from Megabalanus psittacus (Darwin) were internally perfused with a number of K salt solutions (200 mM) which were made isotonic to the barnacle saline with sucrose. 2. 200 mM-K acetate solution, in general, was found to be more effective than other solutions of K salts in generating and maintaining stable resting membrane potential of -56·0 ± 0·7 mV (all potentials are referred to the external solutions as ground). The various K salts, on the basis of the magnitude of the resting potential they generated in the muscle fibres, followed the sequence, acetate > isethionate > aspartate > glutamate > fluoride > monohydrogen phosphate > succinate > citrate > sulphate > oxalate > iodobenzoate > ferrocyanide > chlorate > nitrate > chloride > thiocyanate > iodide > bromide > cyanide. 3. The resting potential in muscle fibres perfused with solutions of acetate, aspartate and glutamate increased linearly with the logarithm of the K concentration (slope = 30·4 mV for K acetate and 27·4 for K aspartate and glutamate) when the ionic strength of the solutions was progressively increased from 50 to 650 mM. On the other hand, similar increase of ionic strength beyond 200 mM of solutions of K isethionate, fluoride, monohydrogen phosphate, succinate and citrate depolarized the muscle fibres. 4. Perfusion of acetate solutions of other alkali metal ions gave low values for the resting potential and followed the sequence K > Na > Rb > Li > Cs. Also NH4 and Tris ions gave low values for the resting potential which underwent oscillations associated with the twitching of the fibre and occasionally became positive in value (action potential). 5. Addition of tetraethyl ammonium chloride (TEA-Cl), 20-100 mM, to K acetate solutions (200 mM) depolarized the fibre membrane and the consequent reduction of resting potential varied linearly with the logarithm of TEA concentration. 6. Replacement of chloride ion by acetate or isethionate in the external solution did not change significantly the resting potential although the values were consistently lower by about 2 mV. 7. Complete elimination of K in the external solution and reduction of its ionic strength using sucrose depolarized the muscle fibres by about 27 mV when Na was changed from 475 to 1 mM. Under these conditions, external solutions completely in acetate form gave resting potentials which were more positive than those observed in completely chloride solutions by 6-8 mV. 8. Replacement of Na by Li, Tris, choline, tetramethyl or tetraethyl ammonium ion in the external solution made the values of the resting potential more positive (depolarization). Similarly increasing the concentration of K (or Cs or Rb in place of K) by correspondingly decreasing the concentration of Na in the outside solution depolarized the fibres and the resting potential became zero at a concentration of 280 mM (or 308 or 1500 mM for Rb or Cs, respectively) on extrapolation. PMID:4754874

A soft-wall dilaton

DOE PAGES

Cox, Peter; Gherghetta, Tony

2015-02-02

Here, we study the properties of the dilaton in a soft-wall background using two solutions of the Einstein equations. These solutions contain an asymptotically AdS metric with a nontrivial scalar profile that causes both the spontaneous breaking of conformal invariance and the generation of a mass gap in the particle spectrum. We first present an analytic solution, using the superpotential method, that describes a CFT spontaneously broken by a finite dimensional operator in which a light dilaton mode appears in the spectrum. This represents a tuning in the vanishing of the quartic coupling in the effective potential that could bemore » naturally realised from an underlying supersymmetry. Instead, by considering a generalised analytic scalar bulk potential that quickly transitions at the condensate scale from a walking coupling in the UV to an order-one β-function in the IR, we obtain a naturally light dilaton. This provides a simple example for obtaining a naturally light dilaton from nearly-marginal CFT deformations in the more realistic case of a soft-wall background.« less

Effective adsorption of malachite green using magnetic barium phosphate composite from aqueous solution

NASA Astrophysics Data System (ADS)

Zhang, Fan; Wei, Zhong; Zhang, Wanning; Cui, Haiyan

2017-07-01

Magnetic Ba3(PO4)2/Fe3O4-nanoparticle (called BPFN) was prepared, characterized, and developed as a low-cost adsorbent for malachite green (MG) from aqueous solution. Factors such as adsorption temperature, pH of solution, dosage of adsorbent, adsorption kinetics and isotherms were investigated. The maximum adsorption capacity obtained in this work was 1639 mg g- 1 at 45 °C and pH 6. The adsorption process fitted the pseudo-first-order kinetic model and Langmuir isotherm model. Evidences from zeta potential, Fourier transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS) data revealed that the adsorption process was driven by electrostatic attraction, the interaction between Lewis base sbnd N(CH3)2 in MG and Lewis acid Ba sites of BPFN. In addition, the BPFN could be easily regenerated by a magnet and the adsorption capacity maintained at 70% after five cycles. The present study suggests that the BPFN had high potential of removing MG from wastewater.

Relaxation and approximate factorization methods for the unsteady full potential equation

NASA Technical Reports Server (NTRS)

Shankar, V.; Ide, H.; Gorski, J.

1984-01-01

The unsteady form of the full potential equation is solved in conservation form, using implicit methods based on approximate factorization and relaxation schemes. A local time linearization for density is introduced to enable solution to the equation in terms of phi, the velocity potential. A novel flux-biasing technique is applied to generate proper forms of the artificial viscosity, to treat hyperbolic regions with shocks and sonic lines present. The wake is properly modeled by accounting not only for jumps in phi, but also for jumps in higher derivatives of phi obtained from requirements of density continuity. The far field is modeled using the Riemann invariants to simulate nonreflecting boundary conditions. Results are presented for flows over airfoils, cylinders, and spheres. Comparisons are made with available Euler and full potential results.

Relativistic Newtonian Dynamics under a central force

NASA Astrophysics Data System (ADS)

Friedman, Yaakov

2016-10-01

Planck's formula and General Relativity indicate that potential energy influences spacetime. Using Einstein's Equivalence Principle and an extension of his Clock Hypothesis, an explicit description of this influence is derived. We present a new relativity model by incorporating the influence of the potential energy on spacetime in Newton's dynamics for motion under a central force. This model extends the model used by Friedman and Steiner (EPL, 113 (2016) 39001) to obtain the exact precession of Mercury without curving spacetime. We also present a solution of this model for a hydrogen-like atom, which explains the reason for a probabilistic description.

Flow Past a Descending Balloon

NASA Technical Reports Server (NTRS)

Baginski, Frank

2001-01-01

In this report, we present our findings related to aerodynamic loading of partially inflated balloon shapes. This report will consider aerodynamic loading of partially inflated inextensible natural shape balloons and some relevant problems in potential flow. For the axisymmetric modeling, we modified our Balloon Design Shape Program (BDSP) to handle axisymmetric inextensible ascent shapes with aerodynamic loading. For a few simple examples of two dimensional potential flows, we used the Matlab PDE Toolbox. In addition, we propose a model for aerodynamic loading of strained energy minimizing balloon shapes with lobes. Numerical solutions are presented for partially inflated strained balloon shapes with lobes and no aerodynamic loading.

Dissolved organic carbon in soil solution of peat-moorsh soils on Kuwasy Mire

NASA Astrophysics Data System (ADS)

Jaszczyński, J.; Sapek, A.

2009-04-01

Key words: peat-moorsh soils, soil solution, dissolved organic carbon (DOC), temperature of soil, redox potential. The objective this study was the dissolved organic carbon concentration (DOC) in soil solution on the background of soil temperature, moisture and redox potential. The investigations were localized on the area of drained and agricultural used Kuwasy Mire, which are situated in the middle basin of Biebrza River, in North-East Poland. Research point was placed on a low peat soil of 110 cm depth managed as extensive grassland. The soil was recognized as peat-moorsh with the second degree of the moorshing process (with 20 cm of moorsh layer). The ceramic suction cups were installed in three replications at 30 cm depth of soil profile. The soil solution was continuously sampled by pomp of the automatic field station. The successive samples comprised of solution collected at the intervals of 21 days. Simultaneously, at the 20, 30 and 40 cm soil depths the measurements of temperature and determination of soil moisture and redox potential were made automatically. The mean twenty-four hours data were collected. The concentrations of DOC were determined by means of the flow colorimeter using the Skalar standard methods. Presented observations were made in 2001-2006. Mean DOC concentration in soil solution was 66 mg.dm-3 within all research period. A significant positive correlation between studied compound concentration and temperature of soil at 30 cm depth was observed; (correlation coefficient - r=0.55, number of samples - n=87). The highest DOC concentrations were observed during the season from July to October, when also a lower ground water level occurred. The DOC concentration in soil solution showed as well a significant correlation with the soil redox potential at 20 cm level. On this depth of describing soil profile a frontier layer between moorshing layer and peat has been existed. This layer is the potentially most active in the respect to biochemical transformation. On the other hand it wasn't possible to shown dependences on the DOC concentration from soil moisture. That probably results from a huge water-holding capacity of these type of peat soils, which are keeping a high moisture content even at a long time after decreasing of the groundwater table.

Development summary of a sympathetic discharge CO2 laser for lidar use

NASA Technical Reports Server (NTRS)

Jaenisch, Holger M.; Johnson, R. Barry

1991-01-01

A commercial pulsed sympathetic discharge laser has been characterized and modified for use as a potential lidar. This report summarizes the initial findings and modifications made to the baseline system. The new laser performance is then checked with theory and operational results are presented. The laser has inherent mode instability and high chirp. Several solutions were tried and their results are presented.

Keeping Goliath on His Toes: A Case-Discussion Method for Increasing Engagement and Individual Accountability in Large Classes

ERIC Educational Resources Information Center

Harding, Lora Mitchell

2018-01-01

Application-based assignments are often forgone in large marketing classes because of the daunting implementation and assessment challenges they present. One solution is to divide large classes into groups, but groups present their own challenges--of note, the potential for students to free-ride on the efforts of others. The 4Ps method of case…

Chameleon scalar fields in relativistic gravitational backgrounds

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

Tsujikawa, Shinji; Tamaki, Takashi; Tavakol, Reza, E-mail: shinji@rs.kagu.tus.ac.jp, E-mail: tamaki@gravity.phys.waseda.ac.jp, E-mail: r.tavakol@qmul.ac.uk

2009-05-15

We study the field profile of a scalar field {phi} that couples to a matter fluid (dubbed a chameleon field) in the relativistic gravitational background of a spherically symmetric spacetime. Employing a linear expansion in terms of the gravitational potential {Phi}{sub c} at the surface of a compact object with a constant density, we derive the thin-shell field profile both inside and outside the object, as well as the resulting effective coupling with matter, analytically. We also carry out numerical simulations for the class of inverse power-law potentials V({phi}) = M{sup 4+n}{phi}{sup -n} by employing the information provided by ourmore » analytical solutions to set the boundary conditions around the centre of the object and show that thin-shell solutions in fact exist if the gravitational potential {Phi}{sub c} is smaller than 0.3, which marginally covers the case of neutron stars. Thus the chameleon mechanism is present in the relativistic gravitational backgrounds, capable of reducing the effective coupling. Since thin-shell solutions are sensitive to the choice of boundary conditions, our analytic field profile is very helpful to provide appropriate boundary conditions for {Phi}{sub c}{approx}« less

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

NASA Astrophysics Data System (ADS)

Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu

2011-10-01

A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into "alpha helix" and "beta sheet" structures. The 5-residue polyalanine displays a substantial increase in the "beta strand" fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling.

Assessment of some straw-derived materials for reducing the leaching potential of Metribuzin residues in the soil

NASA Astrophysics Data System (ADS)

Cara, Irina Gabriela; Trincă, Lucia Carmen; Trofin, Alina Elena; Cazacu, Ana; Ţopa, Denis; Peptu, Cătălina Anişoara; Jităreanu, Gerard

2015-12-01

Biomass (straw waste) can be used as raw to obtain materials for herbicide removal from wastewater. These by-products have some important advantages, being environmentally friendly, easily available, presenting low costs, and requiring little processing to increase their adsorptive capacity. In the present study, some materials derived from agricultural waste (wheat, corn and soybean straw) were investigated as potential adsorbents for metribuzin removal from aqueous solutions. The straw wastes were processed by grinding, mineralisation (850 °C) and KOH activation in order to improve their functional surface activity. The materials surface characteristics were investigated by scanning electron microscopy, energy dispersive X-ray spectroscopy and atomic force microscopy. The adsorbents capacity was evaluated using batch sorption tests and liquid chromatography coupled with mass spectrometry for herbicide determination. For adsorption isotherms, the equilibrium time considered was 3 h. The experimental adsorption data were modelled by Freundlich and Langmuir models. The activated straw and ash-derived materials from wheat, corn and soybean increased the adsorption capacity of metribuzin with an asymmetrical behaviour. Overall, our results sustain that activated ash-derived from straw and activated straw materials can be a valuable solution for reducing the leaching potential of metribuzin through soil.

Modal element method for potential flow in non-uniform ducts: Combining closed form analysis with CFD

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Baumeister, Joseph F.

1994-01-01

An analytical procedure is presented, called the modal element method, that combines numerical grid based algorithms with eigenfunction expansions developed by separation of variables. A modal element method is presented for solving potential flow in a channel with two-dimensional cylindrical like obstacles. The infinite computational region is divided into three subdomains; the bounded finite element domain, which is characterized by the cylindrical obstacle and the surrounding unbounded uniform channel entrance and exit domains. The velocity potential is represented approximately in the grid based domain by a finite element solution and is represented analytically by an eigenfunction expansion in the uniform semi-infinite entrance and exit domains. The calculated flow fields are in excellent agreement with exact analytical solutions. By eliminating the grid surrounding the obstacle, the modal element method reduces the numerical grid size, employs a more precise far field boundary condition, as well as giving theoretical insight to the interaction of the obstacle with the mean flow. Although the analysis focuses on a specific geometry, the formulation is general and can be applied to a variety of problems as seen by a comparison to companion theories in aeroacoustics and electromagnetics.

New black holes in D =5 minimal gauged supergravity: Deformed boundaries and frozen horizons

NASA Astrophysics Data System (ADS)

Blázquez-Salcedo, Jose Luis; Kunz, Jutta; Navarro-Lérida, Francisco; Radu, Eugen

2018-04-01

A new class of black hole solutions of the five-dimensional minimal gauged supergravity is presented. They are characterized by the mass, the electric charge, two equal magnitude angular momenta and the magnitude of the magnetic potential at infinity. These black holes possess a horizon of spherical topology; however, both the horizon and the sphere at infinity can be arbitrarily squashed, with nonextremal solutions interpolating between black strings and black branes. A particular set of extremal configurations corresponds to a new one-parameter family of supersymmetric black holes. While their conserved charges are determined by the squashing of the sphere at infinity, these supersymmetric solutions possess the same horizon geometry.

Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution

NASA Astrophysics Data System (ADS)

He, Xibing; Shinoda, Wataru; DeVane, Russell; Anderson, Kelly L.; Klein, Michael L.

2010-02-01

A coarse-grained (CG) forcefield for linear alkylbenzene sulfonates (LAS) was systematically parameterized. Thermodynamic data from experiments and structural data obtained from all-atom molecular dynamics were used as targets to parameterize CG potentials for the bonded and non-bonded interactions. The added computational efficiency permits one to employ computer simulation to probe the self-assembly of LAS aqueous solutions into different morphologies starting from a random configuration. The present CG model is shown to accurately reproduce the phase behavior of solutions of pure isomers of sodium dodecylbenzene sulfonate, despite the fact that phase behavior was not directly taken into account in the forcefield parameterization.

Electrostatic frequency maps for amide-I mode of β-peptide: Comparison of molecular mechanics force field and DFT calculations

NASA Astrophysics Data System (ADS)

Cai, Kaicong; Zheng, Xuan; Du, Fenfen

2017-08-01

The spectroscopy of amide-I vibrations has been widely utilized for the understanding of dynamical structure of polypeptides. For the modeling of amide-I spectra, two frequency maps were built for β-peptide analogue (N-ethylpropionamide, NEPA) in a number of solvents within different schemes (molecular mechanics force field based, GM map; DFT calculation based, GD map), respectively. The electrostatic potentials on the amide unit that originated from solvents and peptide backbone were correlated to the amide-I frequency shift from gas phase to solution phase during map parameterization. GM map is easier to construct with negligible computational cost since the frequency calculations for the samples are purely based on force field, while GD map utilizes sophisticated DFT calculations on the representative solute-solvent clusters and brings insight into the electronic structures of solvated NEPA and its chemical environments. The results show that the maps' predicted amide-I frequencies present solvation environmental sensitivities and exhibit their specific characters with respect to the map protocols, and the obtained vibrational parameters are in satisfactory agreement with experimental amide-I spectra of NEPA in solution phase. Although different theoretical schemes based maps have their advantages and disadvantages, the present maps show their potentials in interpreting the amide-I spectra for β-peptides, respectively.

New analytical methodology for analysing S(IV) species at low pH solutions by one stage titration method (bichromatometry) with a clear colour change. Could potentially replace the state-of-art-method iodometry at low pH analysis due higher accuracy

PubMed Central

Galfi, Istvan; Virtanen, Jorma; Gasik, Michael M.

2017-01-01

A new, faster and more reliable analytical methodology for S(IV) species analysis at low pH solutions by bichromatometry is proposed. For decades the state of the art methodology has been iodometry that is still well justified method for neutral solutions, thus at low pH media possess various side reactions increasing inaccuracy. In contrast, the new methodology has no side reactions at low pH media, requires only one titration step and provides a clear color change if S(IV) species are present in the solution. The method is validated using model solutions with known concentrations and applied to analyses of gaseous SO2 from purged solution in low pH media samples. The results indicate that bichromatometry can accurately analyze SO2 from liquid samples having pH even below 0 relevant to metallurgical industrial processes. PMID:29145479

On the Flow of a Compressible Fluid by the Hodograph Method. II - Fundamental Set of Particular Flow Solutions of the Chaplygin Differential Equation

NASA Technical Reports Server (NTRS)

Garrick, I. E.; Kaplan, Carl

1944-01-01

The differential equation of Chaplygin's jet problem is utilized to give a systematic development of particular solutions of the hodograph flow equations, which extends the treatment of Chaplygin into the supersonic range and completes the set of particular solutions. The particular solutions serve to place on a reasonable basis the use of velocity correction formulas for the comparison of incompressible and compressible flows. It is shown that the geometric-mean type of velocity correction formula introduced in part I has significance as an over-all type of approximation in the subsonic range. A brief review of general conditions limiting the potential flow of an adiabatic compressible fluid is given and application is made to the particular solutions, yielding conditions for the existence of singular loci in the supersonic range. The combining of particular solutions in accordance with prescribed boundary flow conditions is not treated in the present paper.

Chemical Speciation and Bond Lengths of Organic Solutes by Core-Level Spectroscopy: pH and Solvent Influence on p -Aminobenzoic Acid

DOE PAGES

Stevens, Joanna S.; Gainar, Adrian; Suljoti, Edlira; ...

2015-03-18

Through X-ray absorption and emission spectroscopies, the chemical, electronic and structural properties of organic species in solution can be observed. Near-edge X-ray absorption fine structure (NEXAFS) and resonant inelastic X-ray scattering (RIXS) measurements at the nitrogen K-edge of para-aminobenzoic acid reveal both pH- and solvent-dependent variations in the ionisation potential (IP), 1s→π* resonances and HOMO–LUMO gap. These changes unequivocally identify the chemical species (neutral, cationic or anionic) present in solution. It is shown how this incisive chemical state sensitivity is further enhanced by the possibility of quantitative bond length determination, based on the analysis of chemical shifts in IPs andmore » σ* shape resonances in the NEXAFS spectra. Finally, this provides experimental access to detecting even minor variations in the molecular structure of solutes in solution, thereby providing an avenue to examining computational predictions of solute properties and solute–solvent interactions.« less

Developing the STS sound pollution unit for enhancing students' applying knowledge among science technology engineering and mathematics

NASA Astrophysics Data System (ADS)

Jumpatong, Sutthaya; Yuenyong, Chokchai

2018-01-01

STEM education suggested that students should be enhanced to learn science with integration between Science, Technology, Engineering and Mathematics. To help Thai students make sense of relationship between Science, Technology, Engineering and Mathematics, this paper presents learning activities of STS Sound Pollution. The developing of STS Sound Pollution is a part of research that aimed to enhance students' perception of the relationship between Science Technology Engineering and Mathematics. This paper will discuss how to develop Sound Pollution through STS approach in framework of Yuenyong (2006) where learning activities were provided based on 5 stages. These included (1) identification of social issues, (2) identification of potential solutions, (3) need for knowledge, (4) decisionmaking, and (5) socialization stage. The learning activities could be highlighted as following. First stage, we use video clip of `Problem of people about Sound Pollution'. Second stage, students will need to identification of potential solutions by design Home/Factory without noisy. The need of scientific and other knowledge will be proposed for various alternative solutions. Third stage, students will gain their scientific knowledge through laboratory and demonstration of sound wave. Fourth stage, students have to make decision for the best solution of designing safety Home/Factory based on their scientific knowledge and others (e.g. mathematics, economics, art, value, and so on). Finally, students will present and share their Design Safety Home/Factory in society (e.g. social media or exhibition) in order to validate their ideas and redesigning. The paper, then, will discuss how those activities would allow students' applying knowledge of science technology engineering, mathematics and others (art, culture and value) for their possible solution of the STS issues.

Non-autonomous matter-wave solitons in hybrid atomic-molecular Bose-Einstein condensates with tunable interactions and harmonic potential

NASA Astrophysics Data System (ADS)

Wang, Deng-Shan; Liu, Jiang; Wang, Lizhen

2018-03-01

In this paper, we investigate matter-wave solitons in hybrid atomic-molecular Bose-Einstein condensates with tunable interactions and external potentials. Three types of time-modulated harmonic potentials are considered and, for each of them, two groups of exact non-autonomous matter-wave soliton solutions of the coupled Gross-Pitaevskii equation are presented. Novel nonlinear structures of these non-autonomous matter-wave solitons are analyzed by displaying their density distributions. It is shown that the time-modulated nonlinearities and external potentials can support exact non-autonomous atomic-molecular matter-wave solitons.

Integral Equations and Scattering Solutions for a Square-Well Potential.

ERIC Educational Resources Information Center

Bagchi, B.; Seyler, R. G.

1979-01-01

Derives Green's functions and integral equations for scattering solutions subject to a variety of boundary conditions. Exact solutions are obtained for the case of a finite spherical square-well potential, and properties of these solutions are discussed. (Author/HM)

Gravity model improvement using GEOS 3 /GEM 9 and 10/. [and Seasat altimetry data

NASA Technical Reports Server (NTRS)

Lerch, F. J.; Wagner, C. A.; Klosko, S. M.; Laubscher, R. E.

1979-01-01

Although errors in previous gravity models have produced large uncertainties in the orbital position of GEOS 3, significant improvement has been obtained with new geopotential solutions, Goddard Earth Model (GEM) 9 and 10. The GEM 9 and 10 solutions for the potential coefficients and station coordinates are presented along with a discussion of the new techniques employed. Also presented and discussed are solutions for three fundamental geodetic reference parameters, viz. the mean radius of the earth, the gravitational constant, and mean equatorial gravity. Evaluation of the gravity field is examined together with evaluation of GEM 9 and 10 for orbit determination accuracy. The major objectives of GEM 9 and 10 are achieved. GEOS 3 orbital accuracies from these models are about 1 m in their radial components for 5-day arc lengths. Both models yield significantly improved results over GEM solutions when compared to surface gravimetry, Skylab and GEOS 3 altimetry, and highly accurate BE-C (Beacon Explorer-C) laser ranges. The new values of the parameters discussed are given.

Differential geometry based solvation model II: Lagrangian formulation.

PubMed

Chen, Zhan; Baker, Nathan A; Wei, G W

2011-12-01

Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation models. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The optimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and PB equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of computation, thanks to the equivalence of the Laplace-Beltrami operator in the two representations. The coupled partial differential equations (PDEs) are solved with an iterative procedure to reach a steady state, which delivers desired solvent-solute interface and electrostatic potential for problems of interest. These quantities are utilized to evaluate the solvation free energies and protein-protein binding affinities. A number of computational methods and algorithms are described for the interconversion of Lagrangian and Eulerian representations, and for the solution of the coupled PDE system. The proposed approaches have been extensively validated. We also verify that the mean curvature flow indeed gives rise to the minimal molecular surface and the proposed variational procedure indeed offers minimal total free energy. Solvation analysis and applications are considered for a set of 17 small compounds and a set of 23 proteins. The salt effect on protein-protein binding affinity is investigated with two protein complexes by using the present model. Numerical results are compared to the experimental measurements and to those obtained by using other theoretical methods in the literature. © Springer-Verlag 2011

Differential geometry based solvation model II: Lagrangian formulation

PubMed Central

Chen, Zhan; Baker, Nathan A.; Wei, G. W.

2010-01-01

Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation model. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory (SPT) of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The minimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and Poisson-Boltzmann equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of computation, thanks to the equivalence of the Laplace-Beltrami operator in the two representations. The coupled partial differential equations (PDEs) are solved with an iterative procedure to reach a steady state, which delivers desired solvent-solute interface and electrostatic potential for problems of interest. These quantities are utilized to evaluate the solvation free energies and protein-protein binding affinities. A number of computational methods and algorithms are described for the interconversion of Lagrangian and Eulerian representations, and for the solution of the coupled PDE system. The proposed approaches have been extensively validated. We also verify that the mean curvature flow indeed gives rise to the minimal molecular surface (MMS) and the proposed variational procedure indeed offers minimal total free energy. Solvation analysis and applications are considered for a set of 17 small compounds and a set of 23 proteins. The salt effect on protein-protein binding affinity is investigated with two protein complexes by using the present model. Numerical results are compared to the experimental measurements and to those obtained by using other theoretical methods in the literature. PMID:21279359

PHARMACEUTICALS IN THE ENVIRONMENT: OVERVIEW OF SOURCES, CONCERNS, AND SOLUTIONS

EPA Science Inventory

This presentation briefly summarizes some of what is known and not known about the occurrence of drugs in the environment, the potential for chronic effects on wildlife (and some instances of acute effects), the relevance of drug residues in drinking water to consumer risk percep...

Intelligent Computational Systems. Opening Remarks: CFD Application Process Workshop

NASA Technical Reports Server (NTRS)

VanDalsem, William R.

1994-01-01

This discussion will include a short review of the challenges that must be overcome if computational physics technology is to have a larger impact on the design cycles of U.S. aerospace companies. Some of the potential solutions to these challenges may come from the information sciences fields. A few examples of potential computational physics/information sciences synergy will be presented, as motivation and inspiration for the Improving The CFD Applications Process Workshop.

Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields.

PubMed

Hassan, Sergio A

2012-08-21

A self-consistent method is presented for the calculation of the local dielectric permittivity and electrostatic potential generated by a solute of arbitrary shape and charge distribution in a polar and polarizable liquid. The structure and dynamics behavior of the liquid at the solute/liquid interface determine the spatial variations of the density and the dielectric response. Emphasis here is on the treatment of the interface. The method is an extension of conventional methods used in continuum protein electrostatics, and can be used to estimate changes in the static dielectric response of the liquid as it adapts to charge redistribution within the solute. This is most relevant in the context of polarizable force fields, during electron structure optimization in quantum chemical calculations, or upon charge transfer. The method is computationally efficient and well suited for code parallelization, and can be used for on-the-fly calculations of the local permittivity in dynamics simulations of systems with large and heterogeneous charge distributions, such as proteins, nucleic acids, and polyelectrolytes. Numerical calculation of the system free energy is discussed for the general case of a liquid with field-dependent dielectric response.

Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields

NASA Astrophysics Data System (ADS)

Hassan, Sergio A.

2012-08-01

A self-consistent method is presented for the calculation of the local dielectric permittivity and electrostatic potential generated by a solute of arbitrary shape and charge distribution in a polar and polarizable liquid. The structure and dynamics behavior of the liquid at the solute/liquid interface determine the spatial variations of the density and the dielectric response. Emphasis here is on the treatment of the interface. The method is an extension of conventional methods used in continuum protein electrostatics, and can be used to estimate changes in the static dielectric response of the liquid as it adapts to charge redistribution within the solute. This is most relevant in the context of polarizable force fields, during electron structure optimization in quantum chemical calculations, or upon charge transfer. The method is computationally efficient and well suited for code parallelization, and can be used for on-the-fly calculations of the local permittivity in dynamics simulations of systems with large and heterogeneous charge distributions, such as proteins, nucleic acids, and polyelectrolytes. Numerical calculation of the system free energy is discussed for the general case of a liquid with field-dependent dielectric response.

Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields

PubMed Central

Hassan, Sergio A.

2012-01-01

A self-consistent method is presented for the calculation of the local dielectric permittivity and electrostatic potential generated by a solute of arbitrary shape and charge distribution in a polar and polarizable liquid. The structure and dynamics behavior of the liquid at the solute/liquid interface determine the spatial variations of the density and the dielectric response. Emphasis here is on the treatment of the interface. The method is an extension of conventional methods used in continuum protein electrostatics, and can be used to estimate changes in the static dielectric response of the liquid as it adapts to charge redistribution within the solute. This is most relevant in the context of polarizable force fields, during electron structure optimization in quantum chemical calculations, or upon charge transfer. The method is computationally efficient and well suited for code parallelization, and can be used for on-the-fly calculations of the local permittivity in dynamics simulations of systems with large and heterogeneous charge distributions, such as proteins, nucleic acids, and polyelectrolytes. Numerical calculation of the system free energy is discussed for the general case of a liquid with field-dependent dielectric response. PMID:22920098

Field modeling and ray-tracing of a miniature scanning electron microscope beam column.

PubMed

Loyd, Jody S; Gregory, Don A; Gaskin, Jessica A

2017-08-01

A miniature scanning electron microscope (SEM) focusing column design is introduced and its potential performance assessed through an estimation of parameters that affect the probe radius, to include source size, spherical and chromatic aberration, diffraction and space charge broadening. The focusing column, a critical component of any SEM capable of operating on the lunar surface, was developed by the NASA Marshall Space Flight Center and Advanced Research Systems. The ray-trace analysis presented uses a model of the electrostatic field (within the focusing column) that is first calculated using the boundary element method (BEM). This method provides flexibility in modeling the complex electrode shapes of practical electron lens systems. A Fourier series solution of the lens field is then derived within a cylindrical domain whose boundary potential is provided by the BEM. Used in this way, the Fourier series solution is an accuracy enhancement to the BEM solution, allowing sufficient precision to assess geometric aberrations through direct ray-tracing. Two modes of operation with distinct lens field solutions are described. © The Author 2017. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Preparation of Chitosan Nanoparticles: A Study of Influencing Factors

NASA Astrophysics Data System (ADS)

Thakur, Anupama; Taranjit

2011-12-01

Chitosan (CS), a cationic polysaccharide, offers great advantages for ionic interactions with negatively charged species such as sodium tripolyphosphate (STPP) leading to the formation of biocompatible crosslinked chitosan nanoparticles In the present work, an attempt has been made to systematically study the following factors influencing the ionotropic gelation of chitosan with STPP to produce CS nanoparticles: effect of pH of solution, CS concentration, STPP concentration and CS/STPP ratio. The results show that with the increase in CS concentration, the yield of the nanoparticle decreases whereas size increases. The mean size of the prepared nanoparticles varied between 120 to 720 nm and zeta potential between +14 mV to +53 mV . Nanoparticle size and yield was found to be strongly dependent on solution pH. Nanoparticle size decreased with increase in solution pH from 4 to 5 and yield was found to be maximum at pH = 5. With increase in STPP concentration, the size and yield of the nanoparticle increased. The potential of CS nanoparticles to trap amoxicillin trihydrate, taken as the model drug, was also studied. The maximum drug loading capacity was found to be 35% at a solution pH = 5 for 0.2% CS and 0.086% STPP.

Numerical solutions of incompressible Navier-Stokes equations using modified Bernoulli's law

NASA Astrophysics Data System (ADS)

Shatalov, A.; Hafez, M.

2003-11-01

Simulations of incompressible flows are important for many practical applications in aeronautics and beyond, particularly in the high Reynolds number regime. The present formulation is based on Helmholtz velocity decomposition where the velocity is presented as the gradient of a potential plus a rotational component. Substituting in the continuity equation yields a Poisson equation for the potential which is solved with a zero normal derivative at solid surfaces. The momentum equation is used to update the rotational component with no slip/no penetration surface boundary conditions. The pressure is related to the potential function through a special relation which is a generalization of Bernoulli's law, with a viscous term included. Results of calculations for two- and three-dimensional problems prove that the present formulation is a valid approach, with some possible benefits compared to existing methods.

Removal of sodium inactivation and block of sodium channels by chloramine-T in crayfish and squid giant axons.

PubMed Central

Huang, J. M.; Tanguy, J.; Yeh, J. Z.

1987-01-01

Modification of sodium channels by chloramine-T was examined in voltage clamped internally perfused crayfish and squid giant axons using the double sucrose gap and axial wire technique, respectively. Freshly prepared chloramine-T solution exerted two major actions on sodium channels: (a) an irreversible removal of the fast Na inactivation, and (b) a reversible block of the Na current. Both effects were observed when chloramine-T was applied internally or externally (5-10 mM) to axons. The first effect was studied in crayfish axons. We found that the removal of the fast Na inactivation did not depend on the states of the channel since the channel could be modified by chloramine-T at holding potential (from -80 to -100 mV) or at depolarized potential of -30 mV. After removal of fast Na inactivation, the slow inactivation mechanism was still present, and more channels could undergo slow inactivation. This result indicates that in crayfish axons the transition through the fast inactivated state is not a prerequisite for the slow inactivation to occur. During chloramine-T treatment, a distinct blocking phase occurred, which recovered upon washing out the drug. This second effect of chloramine-T was studied in detail in squid axons. After 24 h, chloramine-T solution lost its ability to remove fast inactivation but retained its blocking action. After removal of the fast Na inactivation, both fresh and aged chloramine-T solutions blocked the Na currents with a similar potency and in a voltage-dependent manner, being more pronounced at lower depolarizing potentials. A similar voltage-dependent block was observed with aged chloramine-T solution in an axon with intact inactivation. In contrast to the action of the fresh solution, the aged chloramine-T solution was found to accelerate the decay of Na currents.These results suggest that chloramine-T solution contains at least two active molecular forms that act at different sites in the Na channel. PMID:2444276

Tunneling-assisted transport of carriers through heterojunctions.

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

Wampler, William R.; Myers, Samuel M.; Modine, Normand A.

The formulation of carrier transport through heterojunctions by tunneling and thermionic emission is derived from first principles. The treatment of tunneling is discussed at three levels of approximation: numerical solution of the one-band envelope equation for an arbitrarily specified potential profile; the WKB approximation for an arbitrary potential; and, an analytic formulation assuming constant internal field. The effects of spatially varying carrier chemical potentials over tunneling distances are included. Illustrative computational results are presented. The described approach is used in exploratory physics models of irradiated heterojunction bipolar transistors within Sandia's QASPR program.

PROCESS FOR SEPARATING PLUTONIUM FROM IMPURITIES

DOEpatents

Wahl, A.C.

1957-11-12

A method is described for separating plutonium from aqueous solutions containing uranium. It has been found that if the plutonium is reduced to its 3+ valence state, and the uranium present is left in its higher valence state, then the differences in solubility between certain salts (e.g., oxalates) of the trivalent plutonium and the hexavalent uranium can be used to separate the metals. This selective reduction of plutonium is accomplished by adding iodide ion to the solution, since iodide possesses an oxidation potential sufficient to reduce plutonium but not sufficient to reduce uranium.

On the solution of integral equations with a generalized Cauchy kernel

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1987-01-01

A numerical technique is developed analytically to solve a class of singular integral equations occurring in mixed boundary-value problems for nonhomogeneous elastic media with discontinuities. The approach of Kaya and Erdogan (1987) is extended to treat equations with generalized Cauchy kernels, reformulating the boundary-value problems in terms of potentials as the unknown functions. The numerical implementation of the solution is discussed, and results for an epoxy-Al plate with a crack terminating at the interface and loading normal to the crack are presented in tables.

Fluorescence from polystyrene - Photochemical processes in polymeric systems, 7

NASA Technical Reports Server (NTRS)

Gupta, M. C.; Gupta, A.

1983-01-01

Results are presented for measurements of the fluorescence spectra of polystyrene in dilute solution and in pure solid films. It is determined that a major potential source of experimental error is the concurrent photooxidative degradation in air which may obscure fluorescence emission from monomeric sites in solid films at 25 C. The fluorescence spectra of oriented films are evaluated in terms of the monomer to excimer fluorescence intensity ratio and the excimer 'red shift'. The monomer to excimer fluorescence intensity ratio is determined to be significantly higher in fluid solution than in solid film.

Langevin synchronization in a time-dependent, harmonic basin: An exact solution in 1D

NASA Astrophysics Data System (ADS)

Cadilhe, A.; Voter, Arthur F.

2018-02-01

The trajectories of two particles undergoing Langevin dynamics while sharing a common noise sequence can merge into a single (master) trajectory. Here, we present an exact solution for a particle undergoing Langevin dynamics in a harmonic, time-dependent potential, thus extending the idea of synchronization to nonequilibrium systems. We calculate the synchronization level, i.e., the mismatch between two trajectories sharing a common noise sequence, in the underdamped, critically damped, and overdamped regimes. Finally, we provide asymptotic expansions in various limiting cases and compare to the time independent case.

Solubility Limits of Dibutyl Phosphoric Acid in Uranium Solutions at SRS

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

Thompson, M.C.; Pierce, R.A.; Ray, R.J.

1998-06-01

The Savannah River Site has enriched uranium (EU) solution which has been stored for almost 10 years since being purified in the second uranium cycle of the H area solvent extraction process. The concentrations in solution are {tilde 6} g/L U and about 0.1 M nitric acid. Residual tributylphosphate in the solutions has slowly hydrolyzed to form dibutyl phosphoric acid (HDBP) at concentrations averaging 50 mg/L. Uranium is known to form compounds with DBP which have limited solubility. The potential to form uranium-DBP solids raises a nuclear criticality safety issue. SRTC tests have shown that U-DBP solids will precipitate atmore » concentrations potentially attainable during storage of enriched uranium solutions. Evaporation of the existing EUS solution without additional acidification could result in the precipitation of U-DBP solids if DBP concentration in the resulting solution exceeds 110 ppm at ambient temperature. The same potential exists for evaporation of unwashed 1CU solutions. The most important variables of interest for present plant operations are HNO{sub 3} and DBP concentrations. Temperature is also an important variable controlling precipitation. The data obtained in these tests can be used to set operating and safety limits for the plant. It is recommended that the data for 0 degrees C with 0.5 M HNO{sub 3} be used for setting the limits. The limit would be 80 mg/L which is 3 standard deviations below the average of 86 observed in the tests. The data shows that super-saturation can occur when the DBP concentration is as much as 50 percent above the solubility limit. However, super-saturation cannot be relied on for maintaining nuclear criticality safety. The analytical method for determining DBP concentration in U solutions was improved so that analyses for a solution are accurate to within 10 percent. However, the overall uncertainty of results for periodic samples of the existing EUS solutions was only reduced slightly. Thus, sampling appears to be the largest portion of the uncertainty for EUS sample results, although the number of samples analyzed here is low which could contribution to higher uncertainty. The analytical method can be transferred to the plant analytical labs for more routine analysis of samples.« less

Coronal magnetic fields and the solar wind

NASA Technical Reports Server (NTRS)

Newkirk, G., Jr.

1972-01-01

Current information is presented on coronal magnetic fields as they bear on problems of the solar wind. Both steady state fields and coronal transient events are considered. A brief critique is given of the methods of calculating coronal magnetic fields including the potential (current free) models, exact solutions for the solar wind and field interaction, and source surface models. These solutions are compared with the meager quantitative observations which are available at this time. Qualitative comparisons between the shapes of calculated magnetic field lines and the forms visible in the solar corona at several recent eclipses are displayed. These suggest that: (1) coronal streamers develop above extended magnetic arcades which connect unipolar regions of opposite polarity; and (2) loops, arches, and rays in the corona correspond to preferentially filled magnetic tubes in the approximately potential field.

Scalar field cosmologies with inverted potentials

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

Boisseau, B.; Giacomini, H.; Polarski, D., E-mail: bruno.boisseau@lmpt.univ-tours.fr, E-mail: hector.giacomini@lmpt.univ-tours.fr, E-mail: david.polarski@umontpellier.fr

Regular bouncing solutions in the framework of a scalar-tensor gravity model were found in a recent work. We reconsider the problem in the Einstein frame (EF) in the present work. Singularities arising at the limit of physical viability of the model in the Jordan frame (JF) are either of the Big Bang or of the Big Crunch type in the EF. As a result we obtain integrable scalar field cosmological models in general relativity (GR) with inverted double-well potentials unbounded from below which possess solutions regular in the future, tending to a de Sitter space, and starting with a Bigmore » Bang. The existence of the two fixed points for the field dynamics at late times found earlier in the JF becomes transparent in the EF.« less

Potential flow about arbitrary biplane wing sections

NASA Technical Reports Server (NTRS)

Garrick, I E

1937-01-01

A rigorous treatment is given of the problem of determining the two-dimensional potential flow around arbitrary biplane cellules. The analysis involves the use of elliptic functions and is sufficiently general to include the effects of such elements as the section shapes, the chord ratio, gap, stagger, and decalage, which elements may be specified arbitrarily. The flow problem is resolved by making use of the methods of conformal representation. Thus the solution of the problem of transforming conformally two arbitrary contours into two circles is expressed by a pair of simultaneous integral equations, for which a method of numerical solution is outlined. As an example of the numerical process, the pressure distribution over certain arrangements of the NACA 4412 airfoil in biplane combinations is presented and compared with the monoplane pressure distribution.

Con: Meta-analysis: some key limitations and potential solutions.

PubMed

Esterhuizen, Tonya M; Thabane, Lehana

2016-06-01

Meta-analysis, a statistical combination of results of several trials to produce a summary effect, has been subject to criticism in the past, mainly for the reasons of poor quality of included studies, heterogeneity between studies meta-analyzed and failing to address publication bias. These limitations can cause the results to be misleading, which is important if policy and practice decisions are based on systematic reviews and meta-analyses. We elaborate on these limitations and illustrate them with examples from the nephrology literature. Finally, we present some potential solutions, notably, education in meta-analysis for evidence producers and consumers as well as the use of individual patient data for meta-analyses. © The Author 2016. Published by Oxford University Press on behalf of ERA-EDTA. All rights reserved.

Partial exposure of frog heart to high-potassium solution: an easily reproducible model mimicking ST segment changes.

PubMed

Kon, Nobuaki; Abe, Nozomu; Miyazaki, Masahiro; Mushiake, Hajime; Kazama, Itsuro

2018-04-18

By simply inducing burn injuries on the bullfrog heart, we previously reported a simple model of abnormal ST segment changes observed in human ischemic heart disease. In the present study, instead of inducing burn injuries, we partially exposed the surface of the frog heart to high-potassium (K + ) solution to create a concentration gradient of the extracellular K + within the myocardium. Dual recordings of ECG and the cardiac action potential demonstrated significant elevation of the ST segment and the resting membrane potential, indicating its usefulness as a simple model of heart injury. Additionally, from our results, Na + /K + -ATPase activity was thought to be primarily responsible for generating the K + concentration gradient and inducing the ST segment changes in ECG.

A Planning Framework for the Deployment of Innovative Information and Communication Technologies in Procurement

NASA Astrophysics Data System (ADS)

Alard, Robert; Gustafsson, Martin; Nienhaus, Jörg

The management of buyer-supplier relations is a major topic for many enterprises today. Modern Information and Communication Technologies (ICT) offer interesting perspectives on opportunities and implementation approaches. Today, logistics and procurement departments of numerous enterprises are evaluating the possibilities and opportunities of new ICT solutions and especially of internet-based electronic procurement solutions for the optimisation and re-engineering of their buyer-supplier relationships. Due to the highly innovative character of the new ICT solutions and the scarcely available operational examples in the industry, only little guidance exists to support responsible managers during the evaluation, planning and designing of internet-based electronic procurement solutions. This paper describes a framework for the strategic evaluation and planning of the deployment of internet-based procurement solutions for direct materials. The presented approach supports enterprises in the analysis of procurement objects and procurement structuring, in the definition and management of buyer-supplier-relationships, in the requirements analysis of ICT solutions as well as the assessment of the potential to support procurement with innovative ICT and internet-based electronic procurement solutions.

Introducing and evaluating a knowledge transfer approach to support problem solving in and around protected areas.

PubMed

Mattsson, Brady J; Fischborn, Marie; Brunson, Mark; Vacik, Harald

2018-03-30

Protected areas (PAs) can generate many benefits inside and outside their borders, and achieving objectives for diverse stakeholders raises many challenges. There are many examples of successful PA management around the globe, although a systematic and comprehensive approach to developing and sharing these solutions has been lacking. We present "solutioning" as a structured process of peer-learning, which can inform management strategies in and around protected areas. We explain how the PANORAMA-Solutions for a Healthy Planet initiative has put solutioning into practice through an interactive community and web portal to learn about protected area solutions around the globe. Unlike other web platforms and initiatives reviewed, PANORAMA facilitates adaptation of solution elements (i.e., building blocks) for novel implementation. Supported by theories of resilience and peer-learning, PANORAMA appears to have potential to promote efficiency and equitable benefits for PAs and associated stakeholders focused on nature conservation and sustainable development, although further research is needed to assess whether this learning leads to better solutions or more effective PA management.

A charged anisotropic well-behaved Adler-Finch-Skea solution satisfying Karmarkar condition

NASA Astrophysics Data System (ADS)

Bhar, Piyali; Singh, Ksh. Newton; Rahaman, Farook; Pant, Neeraj; Banerjee, Sumita

In the present paper, we discover a new well-behaved charged anisotropic solution of Einstein-Maxwell’s field equations. We ansatz the metric potential g00 of the form given by Maurya et al. (Eur. Phys. J. C 76(12) (2016) 693) with n = 2. In their paper, it is mentioned that for n = 2, the solution is not well-behaved for neutral configuration as the speed of sound is nondecreasing radially outward. However, the solution can represent a physically possible configuration with the inclusion of some net electric charge, i.e. the solution can become a well-behaved solution with decreasing sound speed radially outward for a charged configuration. Due to the inclusion of electric charge, the solution leads to a very stiff equation-of-state (EoS) with the velocity of sound at the center vr02 = 0.819, vt02 = 0.923 and the compactness parameter u = 0.823 is close to the Buchdahl limit 0.889. This stiff EoS support a compact star configuration of mass 5.418M⊙ and radius of 10.1km.

An approximate stationary solution for multi-allele neutral diffusion with low mutation rates.

PubMed

Burden, Conrad J; Tang, Yurong

2016-12-01

We address the problem of determining the stationary distribution of the multi-allelic, neutral-evolution Wright-Fisher model in the diffusion limit. A full solution to this problem for an arbitrary K×K mutation rate matrix involves solving for the stationary solution of a forward Kolmogorov equation over a (K-1)-dimensional simplex, and remains intractable. In most practical situations mutations rates are slow on the scale of the diffusion limit and the solution is heavily concentrated on the corners and edges of the simplex. In this paper we present a practical approximate solution for slow mutation rates in the form of a set of line densities along the edges of the simplex. The method of solution relies on parameterising the general non-reversible rate matrix as the sum of a reversible part and a set of (K-1)(K-2)/2 independent terms corresponding to fluxes of probability along closed paths around faces of the simplex. The solution is potentially a first step in estimating non-reversible evolutionary rate matrices from observed allele frequency spectra. Copyright © 2016 Elsevier Inc. All rights reserved.

Electric double-layer capacitor based on zinc metaphosphate glass-derived hydrogel

NASA Astrophysics Data System (ADS)

Akamatsu, Takafumi; Kasuga, Toshihiro; Nogami, Masayuki

2006-04-01

The present work reports the electrochemical characteristics of an electric double-layer capacitor (EDC) cell with an electrolyte consisting of a glass-derived zinc metaphosphate hydrogel (ZP gel) or H3PO4 solution. The EDC cell showed specific discharge capacities of 2.06 and 3.21F/g using the ZP gel and H3PO4 solution, respectively. The EDC cell performed higher voltage retentionability for self-discharge behavior after constant voltage using the ZP gel (0.83V after 24h) than using H3PO4 solution (0.45V after 24h). Self-discharge behaviors of the ZP gel and H3PO4 solution were controlled by a diffusion and current leakage process, respectively. These results show that the ZP gel has a great potential for practical use as an EDC electrolyte.

Solutions to Kuessner's integral equation in unsteady flow using local basis functions

NASA Technical Reports Server (NTRS)

Fromme, J. A.; Halstead, D. W.

1975-01-01

The computational procedure and numerical results are presented for a new method to solve Kuessner's integral equation in the case of subsonic compressible flow about harmonically oscillating planar surfaces with controls. Kuessner's equation is a linear transformation from pressure to normalwash. The unknown pressure is expanded in terms of prescribed basis functions and the unknown basis function coefficients are determined in the usual manner by satisfying the given normalwash distribution either collocationally or in the complex least squares sense. The present method of solution differs from previous ones in that the basis functions are defined in a continuous fashion over a relatively small portion of the aerodynamic surface and are zero elsewhere. This method, termed the local basis function method, combines the smoothness and accuracy of distribution methods with the simplicity and versatility of panel methods. Predictions by the local basis function method for unsteady flow are shown to be in excellent agreement with other methods. Also, potential improvements to the present method and extensions to more general classes of solutions are discussed.

Efficient control schemes with limited computation complexity for Tomographic AO systems on VLTs and ELTs

NASA Astrophysics Data System (ADS)

Petit, C.; Le Louarn, M.; Fusco, T.; Madec, P.-Y.

2011-09-01

Various tomographic control solutions have been proposed during the last decades to ensure efficient or even optimal closed-loop correction to tomographic Adaptive Optics (AO) concepts such as Laser Tomographic AO (LTAO), Multi-Conjugate AO (MCAO). The optimal solution, based on Linear Quadratic Gaussian (LQG) approach, as well as suboptimal but efficient solutions such as Pseudo-Open Loop Control (POLC) require multiple Matrix Vector Multiplications (MVM). Disregarding their respective performance, these efficient control solutions thus exhibit strong increase of on-line complexity and their implementation may become difficult in demanding cases. Among them, two cases are of particular interest. First, the system Real-Time Computer architecture and implementation is derived from past or present solutions and does not support multiple MVM. This is the case of the AO Facility which RTC architecture is derived from the SPARTA platform and inherits its simple MVM architecture, which does not fit with LTAO control solutions for instance. Second, considering future systems such as Extremely Large Telescopes, the number of degrees of freedom is twenty to one hundred times bigger than present systems. In these conditions, tomographic control solutions can hardly be used in their standard form and optimized implementation shall be considered. Single MVM tomographic control solutions represent a potential solution, and straightforward solutions such as Virtual Deformable Mirrors have been already proposed for LTAO but with tuning issues. We investigate in this paper the possibility to derive from tomographic control solutions, such as POLC or LQG, simplified control solutions ensuring simple MVM architecture and that could be thus implemented on nowadays systems or future complex systems. We theoretically derive various solutions and analyze their respective performance on various systems thanks to numerical simulation. We discuss the optimization of their performance and stability issues with respect to classic control solutions. We finally discuss off-line computation and implementation constraints.

Density-Difference-Driven Optimized Embedding Potential Method To Study the Spectroscopy of Br₂ in Water Clusters.

PubMed

Roncero, Octavio; Aguado, Alfredo; Batista-Romero, Fidel A; Bernal-Uruchurtu, Margarita I; Hernández-Lamoneda, Ramón

2015-03-10

A variant of the density difference driven optimized embedding potential (DDD-OEP) method, proposed by Roncero et al. (J. Chem. Phys. 2009, 131, 234110), has been applied to the calculation of excited states of Br2 within small water clusters. It is found that the strong interaction of Br2 with the lone electronic pair of the water molecules makes necessary to optimize specific embedding potentials for ground and excited electronic states, separately and using the corresponding densities. Diagnosis and convergence studies are presented with the aim of providing methods to be applied for the study of chromophores in solution. Also, some preliminary results obtained for the study of electronic states of Br2 in clathrate cages are presented.

Performance of a parallel algebraic multilevel preconditioner for stabilized finite element semiconductor device modeling

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

Lin, Paul T.; Shadid, John N.; Sala, Marzio

In this study results are presented for the large-scale parallel performance of an algebraic multilevel preconditioner for solution of the drift-diffusion model for semiconductor devices. The preconditioner is the key numerical procedure determining the robustness, efficiency and scalability of the fully-coupled Newton-Krylov based, nonlinear solution method that is employed for this system of equations. The coupled system is comprised of a source term dominated Poisson equation for the electric potential, and two convection-diffusion-reaction type equations for the electron and hole concentration. The governing PDEs are discretized in space by a stabilized finite element method. Solution of the discrete system ismore » obtained through a fully-implicit time integrator, a fully-coupled Newton-based nonlinear solver, and a restarted GMRES Krylov linear system solver. The algebraic multilevel preconditioner is based on an aggressive coarsening graph partitioning of the nonzero block structure of the Jacobian matrix. Representative performance results are presented for various choices of multigrid V-cycles and W-cycles and parameter variations for smoothers based on incomplete factorizations. Parallel scalability results are presented for solution of up to 10{sup 8} unknowns on 4096 processors of a Cray XT3/4 and an IBM POWER eServer system.« less

Dark Soliton Solutions of Space-Time Fractional Sharma-Tasso-Olver and Potential Kadomtsev-Petviashvili Equations

NASA Astrophysics Data System (ADS)

Guner, Ozkan; Korkmaz, Alper; Bekir, Ahmet

2017-02-01

Dark soliton solutions for space-time fractional Sharma-Tasso-Olver and space-time fractional potential Kadomtsev-Petviashvili equations are determined by using the properties of modified Riemann-Liouville derivative and fractional complex transform. After reducing both equations to nonlinear ODEs with constant coefficients, the \\tanh ansatz is substituted into the resultant nonlinear ODEs. The coefficients of the solutions in the ansatz are calculated by algebraic computer computations. Two different solutions are obtained for the Sharma-Tasso-Olver equation as only one solution for the potential Kadomtsev-Petviashvili equation. The solution profiles are demonstrated in 3D plots in finite domains of time and space.

Landfills: Engineering Design for Waste Control

ERIC Educational Resources Information Center

Deck, Anita; Grubbs, Michael E.

2016-01-01

It is becoming increasingly important to consider the waste humans produce and options for reducing the impact it has on the environment. Allowing students the opportunities to research potential solutions and present their ideas results in an educated citizenry that considers consequences of technological advances. Throughout the course of a…

Self-Paced Physics, Segments 6-10.

ERIC Educational Resources Information Center

New York Inst. of Tech., Old Westbury.

Five segments of the Self-Paced Physics Course materials are presented in this problems and solutions book for use as the second part of student course work. The subject-matter topics are related to circular motion, work, power, kinetic energy, potential energy, conservative forces, conservation of energy, spring problems, center of mass, and…

The Potential of Free-Choice Learning for Environmental Participation in Greece

ERIC Educational Resources Information Center

Skanavis, Constantina; Sakellari, Maria; Petreniti, Vassiliki

2005-01-01

Citizen participation in environmental decision-making is of extreme importance in securing a good quality of life. Local communities know best what alternate solutions should be implemented for appropriate management of their area. This paper presents findings about the environmental characteristics of various Greek citizens' groups, where…

Describing Preservice Instrumental Music Educators' Pedagogical Content Knowledge

ERIC Educational Resources Information Center

Millican, J. Si

2016-01-01

In this descriptive study, I investigated the pedagogical content knowledge of 206 undergraduate music education students by presenting video recordings of beginning band students playing excerpts from their class method books. I asked these preservice educators to identify performance problems and offer potential solutions to the causes of those…

Potential impacts of cropland biofuel production on the provision of avian habitat

EPA Science Inventory

Present laws and policies encourage the growth of corn for the production of starch-based and cellulosic ethanol on agricultural lands in the U.S. This has been touted as an environmentally-friendly solution to problems of energy-independence, particularly in the midwestern U.S....

Black Men in the Medical Education Pipeline: Past, Present, and Future.

ERIC Educational Resources Information Center

Ready, Timothy; Nickens, Herbert W.

1991-01-01

Factors in the decline in Black male enrollment in medical schools are examined, including the general medical school applicant pool, popularity of undergraduate biology degrees, Black enrollment in college, poverty, and employment opportunities. Social implications, areas for further research, and potential solutions are discussed. (Author/MSE)

PHARMACEUTICALS AND PERSONAL CARE PRODUCTS IN THE ENVIRONMENT: OVERVIEW OF SIGNIFICANCE, CONCERNS, AND SOLUTIONS

EPA Science Inventory

This presentation briefly summarizes some of what is known and not known about the occurrence of drugs in the environment, the potential for chronic effects on wildlife (and some instances of acute effects), the relevance of drug residues in drinking water to consumer risk percep...

Assessing diversity and phytoremediation potential of mangroves for copper contaminated sediments in Subic Bay, Philippines

USDA-ARS?s Scientific Manuscript database

Toxic metal pollution of water and soil is a major environmental problem and most conventional remediation approaches may not provide adequate solutions. An alternative way of reducing copper (Cu) concentration from contaminated sediments is through phytoremediation. Presently, there are few researc...

Element-by-element Solution Procedures for Nonlinear Structural Analysis

NASA Technical Reports Server (NTRS)

Hughes, T. J. R.; Winget, J. M.; Levit, I.

1984-01-01

Element-by-element approximate factorization procedures are proposed for solving the large finite element equation systems which arise in nonlinear structural mechanics. Architectural and data base advantages of the present algorithms over traditional direct elimination schemes are noted. Results of calculations suggest considerable potential for the methods described.

On asymptotic freedom and confinement from type-IIB supergravity

NASA Astrophysics Data System (ADS)

Kehagias, A.; Sfetsos, K.

1999-06-01

We present a new type-IIB supergravity vacuum that describes the strong coupling regime of a non-supersymmetric gauge theory. The latter has a running coupling such that the theory becomes asymptotically free in the ultraviolet. It also has a running theta angle due to a non-vanishing axion field in the supergravity solution. We also present a worm-hole solution, which has finite action per unit four-dimensional volume and two asymptotic regions, a flat space and an AdS5xS5. The corresponding N=2 gauge theory, instead of being finite, has a running coupling. We compute the quark-antiquark potential in this case and find that it exhibits, under certain assumptions, an area-law behaviour for large separations.

Comparative efficacy of oil solution and wettable powder of lambda-cyhalothrin to naturally occurring Ornithonyssus sylviarum infestation of chickens.

PubMed

Pan, Baoliang; Liang, Daming; Zhang, Yafeng; Wang, Hailiang; Wang, Ming

2009-10-14

The Northern Fowl Mite (NFM), Ornithonyssus sylviarum, is one of the most important and common pests of poultry. Most of available pesticides applied in the NFM control are formulated as wettable powder or emulsifiable concentrate and require to be diluted with water before use. As water has very low affinity to bird feathers, a part of the diluted pesticide will fall on the ground, on the cages, on feed bins or drift in the air upon application, which becomes a source of a potential harm to administrative workers and birds. In contrast to water, an oil solution of pesticide has a higher affinity for feathers and can stay on the feather for a longer time, and maybe provide a high efficacy and be effective for a longer, persistent period against the NFM. In the present study, the efficacy of oil solution and wettable powder of lambda-cyhalothrin to NFM in breeders was compared; the results showed that while spraying lambda-cyhalothrin wettable powder on birds could effectively control NFM, painting lambda-cyhalothrin oil solution on birds gave complete control of NFM for at least 6 weeks. In the application of lambda-cyhalothrin oil solution, no containment of pesticide to cages, feed bin and no pesticide drifting in the air was observed. These results indicated that lambda-cyhalothrin oil solution has a potential to become an effective and safe formulation to control NFM in breeders.

The potential pathogenicity of chlorhexidine-sensitive Acanthamoeba strains isolated from contact lens cases from asymptomatic individuals in Tenerife, Canary Islands, Spain.

PubMed

Martín-Navarro, Carmen M; Lorenzo-Morales, Jacob; Cabrera-Serra, M Gabriela; Rancel, Fernando; Coronado-Alvarez, Nieves M; Piñero, José E; Valladares, Basilio

2008-11-01

Pathogenic strains of the genus Acanthamoeba are causative agents of a serious sight-threatening infection of the eye known as Acanthamoeba keratitis. The prevalence of this infection has risen in the past 20 years, mainly due to the increase in number of contact lens wearers. In this study, the prevalence of Acanthamoeba in a risk group constituted by asymptomatic contact lens wearers from Tenerife, Canary Islands, Spain, was evaluated. Contact lenses and contact lens cases were analysed for the presence of Acanthamoeba isolates. The isolates' genotypes were also determined after rDNA sequencing. The pathogenic potential of the isolated strains was subsequently established using previously described molecular and biochemical assays, which allowed the selection of three strains with high pathogenic potential. Furthermore, the sensitivity of these isolates against two standard drugs, ciprofloxacin and chlorhexidine, was analysed. As the three selected strains were sensitive to chlorhexidine, its activity and IC(50) were evaluated. Chlorhexidine was found to be active against these strains and the obtained IC(50) values were compared to the concentrations of this drug present in contact lens maintenance solutions. It was observed that the measured IC(50) was higher than the concentration found in these maintenance solutions. Therefore, the ineffectiveness of chlorhexidine-containing contact lens maintenance solutions against potentially pathogenic strains of Acanthamoeba is demonstrated in this study.

Using Wirtinger calculus and holomorphic matching to obtain the discharge potential for an elliptical pond

NASA Astrophysics Data System (ADS)

Strack, O. D. L.

2009-01-01

We present in this paper a new method for deriving discharge potentials for groundwater flow. Discharge potentials are two-dimensional functions; the discharge potential to be presented represents steady groundwater flow with an elliptical pond of constant rate of extraction or infiltration. The method relies on Wirtinger calculus. We demonstrate that it is possible, in principle, to construct a holomorphic function Ω(z), defined so as to produce the same gradient vector in two dimensions as that obtained from an arbitrary function F(x, y) along any Jordan curve ?. We will call Ω(z) the holomorphic match of F(x, y) along ?. Let the line ? be a closed contour bounding a domain ?, and let F(x, y) be defined in ? and represent the discharge potential for some case of divergent groundwater flow. Holomorphic matching makes it possible to create a function Ω(z), valid outside ?, such that ?Ω equals F(x, y) and the gradient of ?Ω equals that of F(x, y) along ?. (Note that the technique applies also if ? is the domain outside ?.) We can use this technique to construct solutions for cases of flow where there is nonzero divergence (due to infiltration or leakage, for example) in ? but zero divergence outside ?. The special case that the divergence within ? is constant and is zero outside ? is chosen to illustrate the approach and to obtain a solution that, to the knowledge of the author, does not exist in the field of groundwater flow.

In-Space Assembly Capability Assessment for Potential Human Exploration and Science Applications

NASA Technical Reports Server (NTRS)

Jefferies, Sharon A.; Jones, Christopher A.; Arney, Dale C.; Stillwagen, Frederic H.; Chai, Patrick R.; Hutchinson, Craig D.; Stafford, Matthew A.; Moses, Robert W.; Dempsey, James A.; Rodgers, Erica M.;

Potential Upstream Strategies for the Mitigation of Pharmaceuticals in the Aquatic Environment: a Brief Review.

PubMed

Blair, Benjamin D

2016-06-01

Active pharmaceutical ingredients represent a class of pollutants of emerging concern, and there is growing evidence that these pollutants can cause damage to the aquatic environment. As regulations to address these concerns are expected in developed nations, decision-makers are looking to the scientific community for potential solutions. To inform these regulatory efforts, further information on the potential strategies to reduce the levels of pharmaceuticals entering the aquatic environment is needed. End-of-pipe (i.e., wastewater treatment) technologies that can remove pharmaceuticals exist; however, they are costly to install and operate. Thus, the goal of this brief review is to look beyond end-of-pipe solutions and present various upstream mitigation strategies discussed within the scientific literature. Programs such as pharmaceutical take-back programs currently exist to attempt to reduce pharmaceutical concentrations in the environment, although access and coverage are often limited for many programs. Other potential strategies include redesigning pharmaceuticals to minimize aquatic toxicity, increasing the percent of the pharmaceuticals metabolized in the body, selecting less harmful pharmaceuticals for use, starting new prescriptions at lower dosages, selecting pharmaceuticals with lower excretion rates, and implementing source treatment such as urine separating toilets. Overall, this brief review presents a summary of the upstream preventative recommendations to mitigate pharmaceuticals from entering the aquatic environment with an emphasis on regulatory efforts in the USA and concludes with priorities for further research.

Toxicology of household cleaning products and disinfectants.

PubMed

Kore, A M; Kiesche-Nesselrodt, A

1990-03-01

Hundreds of different household cleaning products are available in homes, presenting potential hazards to pets. These products are complex mixtures of chemicals that vary widely in their toxic potential. Prevention of toxicoses in companion animals follows the same guidelines as those recommended for children: Keep cleaning products out of the reach of pets, do not leave open containers or solutions of cleaning products unattended where animals may get into them, make sure containers of cleaning products are tightly sealed and properly labeled, and dispose of any cleaning solutions promptly after use. If a companion animal has ingested or spilled a cleaning product or disinfectant on itself, it is very important to assess the potential hazard to the animal promptly. Many products contain warnings regarding the corrosive or irritation potential of the product and instructions on the label for preliminary action in the case of accidental oral, dermal, or ocular exposures in humans. These instructions can generally be followed initially until further information on the product can be obtained, although the recommendations on some product labels may be outdated. In general, the clinical management for toxicoses caused by cleaning products and disinfectants involves the prevention of further contact with the concentrated product through either dilution or bathing; emergency stabilization of the patient if clinical signs are present; instituting specific therapies, if available; and use of general supportive care.

Asymmetrical electrically induced injury of rabbit ventricular myocytes.

PubMed

Knisley, S B; Grant, A O

1995-05-01

Strong defibrillation-type electric field stimulation may injure myocytes when transmembrane potentials during the pulse exceed the threshold for membrane permeabilization. The location of injury may depend on intrinsic transmembrane potential or influx of calcium by "electro-osmosis" during the stimulation pulse in addition to the transmembrane potential changes induced by the pulse. We have studied injury by examining contracture and changes in transmembrane potential-sensitive dye fluorescence induced by electric field stimulation (St) with a duration of 20 ms and strength of 16-400 V/cm in isolated rabbit ventricular myocytes. St of 100-150 V/cm produced injury in myocytes oriented parallel to the St field frequently without injuring myocytes oriented perpendicular to the field. Injury required calcium in the solution and was asymmetric, occurring first at the myocyte and facing the St anode in 100% of injured myocytes in normal Tyrode's solution. Injury depended significantly on whether the product of the electric field strength and myocyte length exceeded a threshold of 1.1 V (P < 0.05). Asymmetric injury at the end facing the anode was still present in 96% of injured myocytes for stimulation after depolarization by an action potential or 20 mM or 125 mM potassium, suggesting that intrinsic transmembrane potential is not responsible for asymmetry. In 125 mM potassium, eliminating calcium from the bathing solution during the St pulse and introducing calcium after the pulse decreased the fraction of injured myocytes in which injury occurred at the end facing the anode to 62%, suggesting that calcium influx by "electro-osmosis" at the myocyte end facing the anode contributes to asymmetry. Asymmetric injury at the end facing the anode was still present in 100% of injured myocytes after adding 1 mM tetraethylammonium chloride, indicating that asymmetry is not sensitive to the potassium channel blockade. For stimulation pulses stronger than 50 V/cm given after depolarization by an action potential, transmembrane potentials at both myocyte ends decayed after the initial deflection indicating that permeabilization occurred at both ends. In conclusion, injury depends on myocyte orientation and is asymmetric occurring first at the myocyte end facing the anode. Asymmetric injury is not explained by asymmetric permeabilization, is independent of the intrinsic transmembrane potential and may result from "electro-osmosis" during the stimulation pulse.

Nonideal Solute Chemical Potential Equation and the Validity of the Grouped Solute Approach for Intracellular Solution Thermodynamics.

PubMed

Zielinski, Michal W; McGann, Locksley E; Nychka, John A; Elliott, Janet A W

2017-11-22

The prediction of nonideal chemical potentials in aqueous solutions is important in fields such as cryobiology, where models of water and solute transport-that is, osmotic transport-are used to help develop cryopreservation protocols and where solutions contain many varied solutes and are generally highly concentrated and thus thermodynamically nonideal. In this work, we further the development of a nonideal multisolute solution theory that has found application across a broad range of aqueous systems. This theory is based on the osmotic virial equation and does not depend on multisolute data. Specifically, we derive herein a novel solute chemical potential equation that is thermodynamically consistent with the existing model, and we establish the validity of a grouped solute model for the intracellular space. With this updated solution theory, it is now possible to model cellular osmotic behavior in nonideal solutions containing multiple permeating solutes, such as those commonly encountered by cells during cryopreservation. In addition, because we show here that for the osmotic virial equation the grouped solute approach is mathematically equivalent to treating each solute separately, multisolute solutions in other applications with fixed solute mass ratios can now be treated rigorously with such a model, even when all of the solutes cannot be enumerated.

Mild extraction methods using aqueous glucose solution for the analysis of natural dyes in textile artefacts dyed with Dyer's madder (Rubia tinctorum L.).

PubMed

Ford, Lauren; Henderson, Robert L; Rayner, Christopher M; Blackburn, Richard S

2017-03-03

Madder (Rubia tinctorum L.) has been widely used as a red dye throughout history. Acid-sensitive colorants present in madder, such as glycosides (lucidin primeveroside, ruberythric acid, galiosin) and sensitive aglycons (lucidin), are degraded in the textile back extraction process; in previous literature these sensitive molecules are either absent or present in only low concentrations due to the use of acid in typical textile back extraction processes. Anthraquinone aglycons alizarin and purpurin are usually identified in analysis following harsh back extraction methods, such those using solvent mixtures with concentrated hydrochloric acid at high temperatures. Use of softer extraction techniques potentially allows for dye components present in madder to be extracted without degradation, which can potentially provide more information about the original dye profile, which varies significantly between madder varieties, species and dyeing technique. Herein, a softer extraction method involving aqueous glucose solution was developed and compared to other back extraction techniques on wool dyed with root extract from different varieties of Rubia tinctorum. Efficiencies of the extraction methods were analysed by HPLC coupled with diode array detection. Acidic literature methods were evaluated and they generally caused hydrolysis and degradation of the dye components, with alizarin, lucidin, and purpurin being the main compounds extracted. In contrast, extraction in aqueous glucose solution provides a highly effective method for extraction of madder dyed wool and is shown to efficiently extract lucidin primeveroside and ruberythric acid without causing hydrolysis and also extract aglycons that are present due to hydrolysis during processing of the plant material. Glucose solution is a favourable extraction medium due to its ability to form extensive hydrogen bonding with glycosides present in madder, and displace them from the fibre. This new glucose method offers an efficient process that preserves these sensitive molecules and is a step-change in analysis of madder dyed textiles as it can provide further information about historical dye preparation and dyeing processes that current methods cannot. The method also efficiently extracts glycosides in artificially aged samples, making it applicable for museum textile artefacts. Copyright © 2017 Elsevier B.V. All rights reserved.

Preservation solutions for cardiac and pulmonary donor grafts: a review of the current literature

PubMed Central

Latchana, Nicholas; Peck, Joshua R.; Whitson, Bryan

2014-01-01

Hypothermic preservation of donor grafts is imperative to ameliorate ischemia related cellular damage prior to organ transplantation. Numerous solutions are in existence with widespread variability among transplant centers as to a consensus regarding the optimal preservation solution. Here, we present a concise review of pertinent preservation studies involving cardiac and pulmonary allografts in an attempt to minimize the variability among institutions and potentially improve graft and patient survival. A biochemical comparison of common preservation solutions was undertaken with an emphasis on Euro Collins (EC), University of Wisconsin (UW), histidine-tryptophan-ketoglutarate (HTK), Celsior (CEL), Perfadex (PER), Papworth, and Plegisol. An appraisal of the literature ensued containing the aforementioned preservation solutions in the setting of cardiac and pulmonary transplantation. Available evidence supports UW solution as the preservation solution of choice for cardiac transplants with encouraging outcomes relative to notable contenders such as CEL. Despite its success in the setting of cardiac transplantation, its use in pulmonary transplantation remains suboptimal and improved outcomes may be seen with PER. Together, we suggest, based on the literature that the use of UW solution and PER for cardiac and pulmonary transplants, respectively may improve transplant outcomes such as graft and patient survival. PMID:25132982

Construction of exchange repulsion in terms of the wave functions at QM/MM boundary region

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

Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Umino, Satoru; Morita, Akihiro

2015-08-28

We developed a simple method to calculate exchange repulsion between a quantum mechanical (QM) solute and a molecular mechanical (MM) molecule in the QM/MM approach. In our method, the size parameter in the Buckingham type potential for the QM solute is directly determined in terms of the one-electron wave functions of the solute. The point of the method lies in the introduction of the exchange core function (ECF) defined as a Slater function which mimics the behavior of the exterior electron density at the QM/MM boundary region. In the present paper, the ECF was constructed in terms of the Becke-Rousselmore » (BR) exchange hole function. It was demonstrated that the ECF yielded by the BR procedure can faithfully reproduce the radial behavior of the electron density of a QM solute. The size parameter of the solute as well as the exchange repulsion are, then, obtained using the overlap model without any fitting procedure. To examine the efficiency of the method, it was applied to calculation of the exchange repulsions for minimal QM/MM systems, hydrogen-bonded water dimer, and H{sub 3}O{sup +}–H{sub 2}O. We found that our approach is able to reproduce the potential energy curves for these systems showing reasonable agreements with those given by accurate full quantum chemical calculations.« less

A drawdown solution for constant-flux pumping in a confined anticline aquifer

NASA Astrophysics Data System (ADS)

Chen, Yen-Ju; Yeh, Hund-Der; Kuo, Chia-Chen

2011-08-01

SummaryAn anticline, known as a convex-upward fold in layers of rock, commonly is formed during lateral compression, which may be elected as a potential site for carbon sequestration. A mathematical model is developed in this study for describing the steady-state drawdown distribution in an anticline aquifer in response to the constant-flux pumping. The topographical shape of the anticline is mimicked by three successive blocks. The solution is obtained by applying the infinite Fourier transform and the finite Fourier cosine transform in each blocks and acquiring the hydraulic continuities between the blocks. Simulated results reveal that the introduction of a thin-limbs or narrow-ridged anticline would produce a much greater head drop in the ridge zone. For a well of constant pumping rate, the dimensionless drawdown around the well increases with decreasing well screen length or/and aquifer anisotropy ratio. An examination of the effect of well location on the drawdown reveals that the partially penetrating well located at the top-middle of the ridge zone produces the largest drawdown. The simulation of the flow in an anticline aquifer based on MODFLOW results in slightly smaller drawdown values in most regions when compared with those predicted by the present solution. The present solution can also be used to simulate the flow in a slab-shaped aquifer or a hillslope aquifer. It can be applied to determine the aquifer parameters if coupled with an optimization scheme and to provide the basis for selecting a potential site for carbon sequestration in the future as well.

A novel broadband impedance method for detection of cell-derived microparticles.

PubMed

Lvovich, Vadim; Srikanthan, Sowmya; Silverstein, Roy L

2010-10-15

A novel label-free method is presented to detect and quantify cell-derived microparticles (MPs) by the electrochemical potential-modulated electrochemical impedance spectroscopy (EIS). MPs are present in elevated concentrations during pathological conditions and play a major role in the establishment and pathogenesis of many diseases. Considering this, accurate detection and quantification of MPs is very important in clinical diagnostics and therapeutics. A combination of bulk solution electrokinetic sorting and interfacial impedance responses allows achieving detection limits as low as several MPs per μL. By fitting resulting EIS spectra with an equivalent electrical circuit, the bulk solution electrokinetic and interfacial impedance responses were characterized. In the bulk solution two major relaxations were prominent-β-relaxation in low MHz region due to the MP capacitive membrane bridging, and α-relaxation at ∼10 kHz due to counter ions diffusion. At low frequencies (10-0.1 Hz) at electrochemical potentials exceeding -100 mV, a facile interfacial Faradaic process of oxidation in MPs coupled with diffusion and non-Faradaic double layer charging dominate, probably due to oxidation of phospholipids and/or proteins on the MP surface and MP lysis. Buffer influence on the MP detection demonstrated that a relatively low conductivity Tyrode's buffer background solution is preferential for the MP electrokinetic separation and characterization. This study also demonstrated that standard laboratory methods such as flow cytometry underestimate MP concentrations, especially those with smaller average sizes, by as much as a factor of 2-40. Copyright © 2010 Elsevier B.V. All rights reserved.

Eigen solutions and entropic system for Hellmann potential in the presence of the Schrödinger equation

NASA Astrophysics Data System (ADS)

Onate, C. A.; Onyeaju, M. C.; Ikot, A. N.; Ebomwonyi, O.

2017-11-01

By using the supersymmetric approach, we studied the approximate analytic solutions of the three-dimensional Schrödinger equation with the Hellmann potential by applying a suitable approximation scheme to the centrifugal term. The solutions of other useful potentials, such as Coulomb potential and Yukawa potential, are obtained by transformation of variables from the Hellmann potential. Finally, we calculated the Tsallis entropy and Rényi entropy both in position and momentum spaces under the Hellmann potential using integral method. The effects of these entropies on the angular momentum quantum number are investigated in detail.

Detachment dynamics of colloidal spheres with adhesive interactions

NASA Astrophysics Data System (ADS)

Bergenholtz, J.

2018-04-01

Escape of colloidal-size particles from various kinds of solids, such as aggregates and surfaces, occurs in a wide variety of settings of both fundamental and applied scientific interest. In this paper an exact solution for the detachment of adhesive spheres from each other by means of diffusion is presented. The solution takes into account repeated detachment and reattachment events in the course of time on the way toward the permanently separated state. For strongly adhesive spheres this state is approached in an exponential manner essentially regardless of how the bound state is specified. The analytical solution is shown to capture semiquantitatively the escape from more realistic potential wells using a mapping procedure whereby equality of second virial coefficients is imposed.

On numerical solutions to the QCD ’t Hooft equation in the limit of large quark mass

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

Zubov, Roman; Prokhvatilov, Evgeni

2016-01-22

First we give a short informal introduction to the theory behind the ’t Hooft equation. Then we consider numerical solutions to this equation in the limit of large fermion masses. It turns out that the spectrum of eigenvalues coincides with that of the Airy differential equation. Moreover when we take the Fourier transform of eigenfunctions, they look like the corresponding Airy functions with appropriate symmetry. It is known that these functions correspond to solutions of a one dimensional Schrodinger equation for a particle in a triangular potential well. So we find the analogy between this problem and the ’t Hooftmore » equation. We also present a simple intuition behind these results.« less

Synthesis of camptothecin-loaded gold nanomaterials

NASA Astrophysics Data System (ADS)

Xing, Zhimin; Liu, Zhiguo; Zu, Yuangang; Fu, Yujie; Zhao, Chunjian; Zhao, Xiuhua; Meng, Ronghua; Tan, Shengnan

2010-04-01

Camptothecin-loaded gold nanomaterials have been synthesized by the sodium borohydride reduction method under a strong basic condition. The obtained gold nanomaterials have been characterized by transmission electron microscopy (TEM), atomic force microscopy (AFM) and UV-vis absorption spectroscopy. The camptothecin-loaded gold colloidal solution was very stable and can be stored for more than two months at room temperature without obvious changes. The color of the colloidal solution can change from wine red to purple and blue during the acidifying process. It was revealed that the release of camptothecin and the aggregation of gold nanoparticles can be controlled by tuning the solution pH. The present study implied that the gold nanomaterials can be used as the potential carrier for CPT delivery.

Effect of triangular element orientation on finite element solutions of the Helmholtz equation

NASA Technical Reports Server (NTRS)

Baumeister, K. J.

1986-01-01

The Galerkin finite element solutions for the scalar homogeneous Helmholtz equation are presented for no reflection, hard wall, and potential relief exit terminations with a variety of triangular element orientations. For this group of problems, the correlation between the accuracy of the solution and the orientation of the linear triangle is examined. Nonsymmetric element patterns are found to give generally poor results in the model problems investigated, particularly for cases where standing waves exist. For a fixed number of vertical elements, the results showed that symmetric element patterns give much better agreement with corresponding exact analytical results. In laminated wave guide application, the symmetric pyramid pattern is convenient to use and is shown to give excellent results.

Dark Solitons for the Defocusing Cubic Nonlinear Schrödinger Equation with the Spatially Periodic Potential and Nonlinearity

NASA Astrophysics Data System (ADS)

Yan, Zhen-Ya; Yan, Fang-Chi

2015-09-01

We study the existence of dark solitons of the defocusing cubic nonlinear Schrödinger (NLS) eqaution with the spatially-periodic potential and nonlinearity. Firstly, we propose six families of upper and lower solutions of the dynamical systems arising from the stationary defocusing NLS equation. Secondly, by regarding a dark soliton as a heteroclinic orbit of the Poincaré map, we present some constraint conditions for the periodic potential and nonlinearity to show the existence of stationary dark solitons of the defocusing NLS equation for six different cases in terms of the theory of strict lower and upper solutions and the dynamics of planar homeomorphisms. Finally, we give the explicit dark solitons of the defocusing NLS equation with the chosen periodic potential and nonlinearity. Supported by the National Natural Science Foundation of China under Grant No. 61178091, the National Key Basic Research Program of China under Grant No. 2011CB302400, and the Open Project Program of State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, China under Grant No. Y4KF211CJ1

Electrochemical analysis of the corrosion inhibition effect of trypsin complex on the pitting corrosion of 420 martensitic stainless steel in 2M H2SO4 solution.

PubMed

Loto, Roland Tolulope

2018-01-01

Inhibition effect of trypsin complex (TC) on the pitting corrosion of martensitic stainless steel (type 420) in 1M H2SO4 solution was studied with potentiodynamic polarization, open circuit potential measurement and optical microscopy. TC reduced the corrosion rate of the steel with maximum inhibition efficiency of 80.75%. Corrosion potential shifted anodically due to the electrochemical action of TC. The pitting potential increased from 1.088VAg/AgCl (3M) at 0% TC to 1.365VAg/AgCl(3M) at 4% TC. TC shifts the open circuit corrosion potential from -0.270s at 0% TC concentration to -0.255V at 5% TC. The compound completely adsorbed onto the steel according to Langmuir, Frumkin and Temkin isotherms. ATF-FTIR spectroscopy confirmed the inhibition mode to be through surface coverage. Thermodynamic calculations showed physisorption molecular interaction. Corrosion pits are present on the uninhibited 420 morphology in comparison to TC inhibited surface which slightly deteriorated.

Electrochemical analysis of the corrosion inhibition effect of trypsin complex on the pitting corrosion of 420 martensitic stainless steel in 2M H2SO4 solution

PubMed Central

Loto, Roland Tolulope

2018-01-01

Inhibition effect of trypsin complex (TC) on the pitting corrosion of martensitic stainless steel (type 420) in 1M H2SO4 solution was studied with potentiodynamic polarization, open circuit potential measurement and optical microscopy. TC reduced the corrosion rate of the steel with maximum inhibition efficiency of 80.75%. Corrosion potential shifted anodically due to the electrochemical action of TC. The pitting potential increased from 1.088VAg/AgCl (3M) at 0% TC to 1.365VAg/AgCl(3M) at 4% TC. TC shifts the open circuit corrosion potential from -0.270s at 0% TC concentration to -0.255V at 5% TC. The compound completely adsorbed onto the steel according to Langmuir, Frumkin and Temkin isotherms. ATF-FTIR spectroscopy confirmed the inhibition mode to be through surface coverage. Thermodynamic calculations showed physisorption molecular interaction. Corrosion pits are present on the uninhibited 420 morphology in comparison to TC inhibited surface which slightly deteriorated. PMID:29672541

Apparatus for use in rapid and accurate controlled-potential coulometric analysis

DOEpatents

Frazzini, Thomas L.; Holland, Michael K.; Pietri, Charles E.; Weiss, Jon R.

1981-01-01

An apparatus for controlled-potential coulometric analysis of a solution includes a cell to contain the solution to be analyzed and a plurality of electrodes to contact the solution in the cell. Means are provided to stir the solution and to control the atmosphere above it. A potentiostat connected to the electrodes controls potential differences among the electrodes. An electronic circuit connected to the potentiostat provides analog-to-digital conversion and displays a precise count of charge transfer during a desired chemical process. This count provides a measure of the amount of an unknown substance in the solution.

Optical soliton solutions, periodic wave solutions and complexitons of the cubic Schrödinger equation with a bounded potential

NASA Astrophysics Data System (ADS)

Yan, Xue-Wei; Tian, Shou-Fu; Dong, Min-Jie; Zou, Li

2018-01-01

In this paper, we consider the cubic Schrödinger equation with a bounded potential, which describes the propagation properties of optical soliton solutions. By employing an ansatz method, we precisely derive the bright and dark soliton solutions of the equation. Moreover, we obtain three classes of analytic periodic wave solutions expressed in terms of the Jacobi's elliptic functions including cn ,sn and dn functions. Finally, by using a tanh function method, its complexitons solutions are derived in a very natural way. It is hoped that our results can enrich the nonlinear dynamical behaviors of the cubic Schrödinger equation with a bounded potential.

The Development and Assesment of Adaptation Pathways for Urban Pluvial Flooding

NASA Astrophysics Data System (ADS)

Babovic, F.; Mijic, A.; Madani, K.

2017-12-01

Around the globe, urban areas are growing in both size and importance. However, due to the prevalence of impermeable surfaces within the urban fabric of cities these areas have a high risk of pluvial flooding. Due to the convergence of population growth and climate change the risk of pluvial flooding is growing. When designing solutions and adaptations to pluvial flood risk urban planners and engineers encounter a great deal of uncertainty due to model uncertainty, uncertainty within the data utilised, and uncertainty related to future climate and land use conditions. The interaction of these uncertainties leads to conditions of deep uncertainty. However, infrastructure systems must be designed and built in the face of this deep uncertainty. An Adaptation Tipping Points (ATP) methodology was used to develop a strategy to adapt an urban drainage system in the North East of London under conditions of deep uncertainty. The ATP approach was used to assess the current drainage system and potential drainage system adaptations. These adaptations were assessed against potential changes in rainfall depth and peakedness-defined as the ratio of mean to peak rainfall. These solutions encompassed both traditional and blue-green solutions that the Local Authority are known to be considering. This resulted in a set of Adaptation Pathways. However, theses pathways do not convey any information regarding the relative merits and demerits of the potential adaptation options presented. To address this a cost-benefit metric was developed that would reflect the solutions' costs and benefits under uncertainty. The resulting metric combines elements of the Benefits of SuDS Tool (BeST) with real options analysis in order to reflect the potential value of ecosystem services delivered by blue-green solutions under uncertainty. Lastly, it is discussed how a local body can utilise the adaptation pathways; their relative costs and benefits; and a system of local data collection to help guide better decision making with respect to urban flood adaptation.

Metal Matrix Composites for Rocket Engine Applications

NASA Technical Reports Server (NTRS)

McDonald, Kathleen R.; Wooten, John R.

2000-01-01

This document is from a presentation about the applications of Metal Matrix Composites (MMC) in rocket engines. Both NASA and the Air Force have goals which would reduce the costs and the weight of launching spacecraft. Charts show the engine weight distribution for both reuseable and expendable engine components. The presentation reviews the operating requirements for several components of the rocket engines. The next slide reviews the potential benefits of MMCs in general and in use as materials for Advanced Pressure Casting. The next slide reviews the drawbacks of MMCs. The reusable turbopump housing is selected to review for potential MMC application. The presentation reviews solutions for reusable turbopump materials, pointing out some of the issues. It also reviews the development of some of the materials.

Adapting End Host Congestion Control for Mobility

NASA Technical Reports Server (NTRS)

Eddy, Wesley M.; Swami, Yogesh P.

2005-01-01

Network layer mobility allows transport protocols to maintain connection state, despite changes in a node's physical location and point of network connectivity. However, some congestion-controlled transport protocols are not designed to deal with these rapid and potentially significant path changes. In this paper we demonstrate several distinct problems that mobility-induced path changes can create for TCP performance. Our premise is that mobility events indicate path changes that require re-initialization of congestion control state at both connection end points. We present the application of this idea to TCP in the form of a simple solution (the Lightweight Mobility Detection and Response algorithm, that has been proposed in the IETF), and examine its effectiveness. In general, we find that the deficiencies presented are both relatively easily and painlessly fixed using this solution. We also find that this solution has the counter-intuitive property of being both more friendly to competing traffic, and simultaneously more aggressive in utilizing newly available capacity than unmodified TCP.

Carbon nanotube scanning probe for imaging in aqueous environment

NASA Technical Reports Server (NTRS)

Stevens, Ramsey M.; Nguyen, Cattien V.; Meyyappan, M.

2004-01-01

Carbon nanotubes (CNTs) used as a probe for scanning probe microscopy has become one of the many potential usages of CNTs that is finding real applications in scientific research and industrial communities. It has been proposed that the unique mechanical buckling properties of the CNT would lessen the imaging force exerted on the sample and, thus, make CNT scanning probes ideal for imaging soft materials, including biological samples in liquid environments. The hydrophobic nature of the CNT graphitic sidewall is clearly chemically incompatible with the aqueous solution requirements in some biological imaging applications. In this paper, we present electron micrograph results demonstrating the instability of CNT scanning probes when submerged in aqueous solution. Moreover, we also introduce a novel approach to resolve this chemical incompatibility problem. By coating the CNT probe with ethylenediamine, thus rendering the CNT probe less hydrophobic, we demonstrate the liquid imaging capability of treated CNT probes. Experimental data for imaging in aqueous solutions are presented, which include an ultrathin Ir film and DNA molecules on a mica surface.

On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures.

PubMed

Espinosa, J R; Young, J M; Jiang, H; Gupta, D; Vega, C; Sanz, E; Debenedetti, P G; Panagiotopoulos, A Z

2016-10-21

Direct coexistence molecular dynamics simulations of NaCl solutions and Lennard-Jones binary mixtures were performed to explore the origin of reported discrepancies between solubilities obtained by direct interfacial simulations and values obtained from the chemical potentials of the crystal and solution phases. We find that the key cause of these discrepancies is the use of crystal slabs of insufficient width to eliminate finite-size effects. We observe that for NaCl crystal slabs thicker than 4 nm (in the direction perpendicular to the interface), the same solubility values are obtained from the direct coexistence and chemical potential routes, namely, 3.7 ± 0.2 molal at T = 298.15 K and p = 1 bar for the JC-SPC/E model. Such finite-size effects are absent in the Lennard-Jones system and are likely caused by surface dipoles present in the salt crystals. We confirmed that μs-long molecular dynamics runs are required to obtain reliable solubility values from direct coexistence calculations, provided that the initial solution conditions are near the equilibrium solubility values; even longer runs are needed for equilibration of significantly different concentrations. We do not observe any effects of the exposed crystal face on the solubility values or equilibration times. For both the NaCl and Lennard-Jones systems, the use of a spherical crystallite embedded in the solution leads to significantly higher apparent solubility values relative to the flat-interface direct coexistence calculations and the chemical potential values. Our results have broad implications for the determination of solubilities of molecular models of ionic systems.

Numerical solution of the exterior oblique derivative BVP using the direct BEM formulation

NASA Astrophysics Data System (ADS)

Čunderlík, Róbert; Špir, Róbert; Mikula, Karol

2016-04-01

The fixed gravimetric boundary value problem (FGBVP) represents an exterior oblique derivative problem for the Laplace equation. A direct formulation of the boundary element method (BEM) for the Laplace equation leads to a boundary integral equation (BIE) where a harmonic function is represented as a superposition of the single-layer and double-layer potential. Such a potential representation is applied to obtain a numerical solution of FGBVP. The oblique derivative problem is treated by a decomposition of the gradient of the unknown disturbing potential into its normal and tangential components. Our numerical scheme uses the collocation with linear basis functions. It involves a triangulated discretization of the Earth's surface as our computational domain considering its complicated topography. To achieve high-resolution numerical solutions, parallel implementations using the MPI subroutines as well as an iterative elimination of far zones' contributions are performed. Numerical experiments present a reconstruction of a harmonic function above the Earth's topography given by the spherical harmonic approach, namely by the EGM2008 geopotential model up to degree 2160. The SRTM30 global topography model is used to approximate the Earth's surface by the triangulated discretization. The obtained BEM solution with the resolution 0.05 deg (12,960,002 nodes) is compared with EGM2008. The standard deviation of residuals 5.6 cm indicates a good agreement. The largest residuals are obviously in high mountainous regions. They are negative reaching up to -0.7 m in Himalayas and about -0.3 m in Andes and Rocky Mountains. A local refinement in the area of Slovakia confirms an improvement of the numerical solution in this mountainous region despite of the fact that the Earth's topography is here considered in more details.

BROMOC suite: Monte Carlo/Brownian dynamics suite for studies of ion permeation and DNA transport in biological and artificial pores with effective potentials.

PubMed

De Biase, Pablo M; Markosyan, Suren; Noskov, Sergei

2015-02-05

The transport of ions and solutes by biological pores is central for cellular processes and has a variety of applications in modern biotechnology. The time scale involved in the polymer transport across a nanopore is beyond the accessibility of conventional MD simulations. Moreover, experimental studies lack sufficient resolution to provide details on the molecular underpinning of the transport mechanisms. BROMOC, the code presented herein, performs Brownian dynamics simulations, both serial and parallel, up to several milliseconds long. BROMOC can be used to model large biological systems. IMC-MACRO software allows for the development of effective potentials for solute-ion interactions based on radial distribution function from all-atom MD. BROMOC Suite also provides a versatile set of tools to do a wide variety of preprocessing and postsimulation analysis. We illustrate a potential application with ion and ssDNA transport in MspA nanopore. © 2014 Wiley Periodicals, Inc.

Unique geologic insights from "non-unique" gravity and magnetic interpretation

USGS Publications Warehouse

Saltus, R.W.; Blakely, R.J.

2011-01-01

Interpretation of gravity and magnetic anomalies is mathematically non-unique because multiple theoretical solutions are always possible. The rigorous mathematical label of "nonuniqueness" can lead to the erroneous impression that no single interpretation is better in a geologic sense than any other. The purpose of this article is to present a practical perspective on the theoretical non-uniqueness of potential-field interpretation in geology. There are multiple ways to approach and constrain potential-field studies to produce significant, robust, and definitive results. The "non-uniqueness" of potential-field studies is closely related to the more general topic of scientific uncertainty in the Earth sciences and beyond. Nearly all results in the Earth sciences are subject to significant uncertainty because problems are generally addressed with incomplete and imprecise data. The increasing need to combine results from multiple disciplines into integrated solutions in order to address complex global issues requires special attention to the appreciation and communication of uncertainty in geologic interpretation.

Phase transition solutions in geometrically constrained magnetic domain wall models

NASA Astrophysics Data System (ADS)

Chen, Shouxin; Yang, Yisong

2010-02-01

Recent work on magnetic phase transition in nanoscale systems indicates that new physical phenomena, in particular, the Bloch wall width narrowing, arise as a consequence of geometrical confinement of magnetization and leads to the introduction of geometrically constrained domain wall models. In this paper, we present a systematic mathematical analysis on the existence of the solutions of the basic governing equations in such domain wall models. We show that, when the cross section of the geometric constriction is a simple step function, the solutions may be obtained by minimizing the domain wall energy over the constriction and solving the Bogomol'nyi equation outside the constriction. When the cross section and potential density are both even, we establish the existence of an odd domain wall solution realizing the phase transition process between two adjacent domain phases. When the cross section satisfies a certain integrability condition, we prove that a domain wall solution always exists which links two arbitrarily designated domain phases.

A new relativistic stellar model with anisotropic fluid in Karmarkar space-time

NASA Astrophysics Data System (ADS)

Singh, Ksh. Newton; Pant, Neeraj; Troconis, O.

2017-02-01

We are presenting a new class of well-behaved solutions in embedding class-I. We proceed our calculations by assuming a new type of grr metric potential and solved for the other metric gtt using Karmarkar condition. The necessary condition that any solutions of Einstein's field equations to be class-I is to satisfy Karmarkar condition and sufficient condition is to satisfy Pandey-Sharma condition i.e. R2323 ≠ 0. The solution also satisfies strong energy condition, null energy condition, dominant energy condition and weak energy condition. The obtained compactness parameter is within Buchdahl limit i.e. 2 M / R ≤ 8 / 9. The solution also satisfies the causality condition and can represent stable stellar fluid system as the adiabatic index Γ > 4 / 3 and the stability factor holds - 1 ≤ vt2- vr2 ≤ 0 good. Finally, we have tuned our solution for two compact stars PSR J1614-2230 and 4U1608-52 which are well-behaved in all respects.

Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins

NASA Astrophysics Data System (ADS)

Kusmin, André; Lechner, Ruep E.; Saenger, Wolfram

2011-01-01

We present a model for quasielastic neutron scattering (QENS) by an aqueous solution of compact and inflexible molecules. This model accounts for time-dependent spatial pair correlations between the atoms of the same as well as of distinct molecules and includes all coherent and incoherent neutron scattering contributions. The extension of the static theory of the excluded volume effect [A. K. Soper, J. Phys.: Condens. Matter 9, 2399 (1997)] to the time-dependent (dynamic) case allows us to obtain simplified model expressions for QENS spectra in the low Q region in the uniform fluid approximation. The resulting expressions describe the quasielastic small-angle neutron scattering (QESANS) spectra of D _2O solutions of native and methylated cyclodextrins well, yielding in particular translational and rotational diffusion coefficients of these compounds in aqueous solution. Finally, we discuss the full potential of the QESANS analysis (that is, beyond the uniform fluid approximation), in particular, the information on solute-solvent interactions (e.g., hydration shell properties) that such an analysis can provide, in principle.

Spacecraft charging and ion wake formation in the near-Sun environment

NASA Astrophysics Data System (ADS)

Ergun, R. E.; Malaspina, D. M.; Bale, S. D.; McFadden, J. P.; Larson, D. E.; Mozer, F. S.; Meyer-Vernet, N.; Maksimovic, M.; Kellogg, P. J.; Wygant, J. R.

2010-07-01

A three-dimensional, self-consistent code is employed to solve for the static potential structure surrounding a spacecraft in a high photoelectron environment. The numerical solutions show that, under certain conditions, a spacecraft can take on a negative potential in spite of strong photoelectron currents. The negative potential is due to an electrostatic barrier near the surface of the spacecraft that can reflect a large fraction of the photoelectron flux back to the spacecraft. This electrostatic barrier forms if (1) the photoelectron density at the surface of the spacecraft greatly exceeds the ambient plasma density, (2) the spacecraft size is significantly larger than local Debye length of the photoelectrons, and (3) the thermal electron energy is much larger than the characteristic energy of the escaping photoelectrons. All of these conditions are present near the Sun. The numerical solutions also show that the spacecraft's negative potential can be amplified by an ion wake. The negative potential of the ion wake prevents secondary electrons from escaping the part of spacecraft in contact with the wake. These findings may be important for future spacecraft missions that go nearer to the Sun, such as Solar Orbiter and Solar Probe Plus.

Synaptic potentials recorded by the sucrosegap method from the rabbit superior cervical ganglion

PubMed Central

Kosterlitz, H. W.; Lees, G. M.; Wallis, D. I.

1970-01-01

1. Compound ganglionic potentials evoked by stimulation of the preganglionic nerves to the superior cervical ganglion of the rabbit were recorded by the sucrose-gap method. 2. When the distal part of the ganglion was bathed in flowing isotonic sucrose solution or sodium-deficient solutions, ganglionic action potentials were no longer evoked, only large synaptic potentials. 3. The compound synaptic potential, which remained unaltered for more than 1 h, originated in a population of cells at the interface between the Krebs and sucrose solutions. Hexamethonium reduced the size but did not alter the time course of the synaptic potential. 4. It is suggested that a higher concentration of sodium ions is required for the generation of ganglionic action potentials than for either conduction in the postganglionic axons or production of synaptic potentials. 5. When lithium replaced sodium in the solution bathing the distal part of the ganglion, the synaptic potential was greatly reduced in amplitude. Impulse propagation in the postganglionic axons was only slightly impaired when lithium replaced sodium in the solution bathing the axons. 6. A quantitative assessment of the potency of the ganglion-blocking drugs nicotine, pentolinium, hexamethonium and pempidine was made by measuring the depression of the synaptic potentials produced by bathing the distal part of the ganglion in flowing isotonic sucrose solution. The concentrations which produced a 50% depression were 8·1 μM nicotine, 26·5 μM pentolinium, 111 μM hexamethonium and 22·2 μM pempidine. PMID:5492898

Green Construction in Building Renovation

NASA Astrophysics Data System (ADS)

Ksit, Barbara; Majcherek, Michał

2016-06-01

Modern materials and construction solutions draw more and more attention to ecology and building certification. Among the criteria appearing in revitalization, an important element is bringing plants back into heavily urbanized areas. In its natural form, this is not possible to carry out everywhere, often requiring large amounts of space. Nowadays, however, there are a number of green roofs and green wall systems, allowing "greener" construction without making significant changes in the urban environment. The article includes a presentation and analysis of selected solutions of biological surfaces known as green roofs and green walls, specifying various solutions and their most important features. The case study focuses primarily on material and design solutions, as well as the potential benefits, risks and limitations in their use. Plants structures on the surfaces of vertical and horizontal partitions continue to be a very interesting alternative to take into account when applying for grants, such as LEED or BREEAM certificates.

Solving bi-level optimization problems in engineering design using kriging models

NASA Astrophysics Data System (ADS)

Xia, Yi; Liu, Xiaojie; Du, Gang

2018-05-01

Stackelberg game-theoretic approaches are applied extensively in engineering design to handle distributed collaboration decisions. Bi-level genetic algorithms (BLGAs) and response surfaces have been used to solve the corresponding bi-level programming models. However, the computational costs for BLGAs often increase rapidly with the complexity of lower-level programs, and optimal solution functions sometimes cannot be approximated by response surfaces. This article proposes a new method, namely the optimal solution function approximation by kriging model (OSFAKM), in which kriging models are used to approximate the optimal solution functions. A detailed example demonstrates that OSFAKM can obtain better solutions than BLGAs and response surface-based methods, and at the same time reduce the workload of computation remarkably. Five benchmark problems and a case study of the optimal design of a thin-walled pressure vessel are also presented to illustrate the feasibility and potential of the proposed method for bi-level optimization in engineering design.

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2014-11-01

Resolving atomic-scale defect topologies and energetics with accurate atomistic interaction models provides access to the nonlinear phenomena inherent at atomic length and time scales. Coarse graining the dynamics of such simulations to look at the migration of, e.g., solute atoms, while retaining the rich atomic-scale detail required to properly describe defects, is a particular challenge. In this paper, we present an adaptation of the recently developed "diffusive molecular dynamics" model to describe the energetics and kinetics of binary alloys on diffusive time scales. The potential of the technique is illustrated by applying it to the classic problems of solute segregation to a planar boundary (stacking fault) and edge dislocation in the Al-Mg system. Our approach provides fully dynamical solutions in situations with an evolving energy landscape in a computationally efficient way, where atomistic kinetic Monte Carlo simulations are difficult or impractical to perform.

Advanced scatter search approach and its application in a sequencing problem of mixed-model assembly lines in a case company

NASA Astrophysics Data System (ADS)

Liu, Qiong; Wang, Wen-xi; Zhu, Ke-ren; Zhang, Chao-yong; Rao, Yun-qing

2014-11-01

Mixed-model assembly line sequencing is significant in reducing the production time and overall cost of production. To improve production efficiency, a mathematical model aiming simultaneously to minimize overtime, idle time and total set-up costs is developed. To obtain high-quality and stable solutions, an advanced scatter search approach is proposed. In the proposed algorithm, a new diversification generation method based on a genetic algorithm is presented to generate a set of potentially diverse and high-quality initial solutions. Many methods, including reference set update, subset generation, solution combination and improvement methods, are designed to maintain the diversification of populations and to obtain high-quality ideal solutions. The proposed model and algorithm are applied and validated in a case company. The results indicate that the proposed advanced scatter search approach is significant for mixed-model assembly line sequencing in this company.

Investigation of electrophoretic exclusion method for the concentration and differentiation of proteins.

PubMed

Meighan, Michelle M; Vasquez, Jared; Dziubcynski, Luke; Hews, Sarah; Hayes, Mark A

2011-01-01

This work presents a technique termed as "electrophoretic exclusion" that is capable of differentiation and concentration of proteins in bulk solution. In this method, a hydrodynamic flow is countered by the electrophoretic velocity to prevent a species from entering into a channel. The separation can be controlled by changing the flow rate or applied electric potential in order to exclude a certain species selectively while allowing others to pass through the capillary. The exclusion of various proteins is investigated using a flow-injection regime of the method. Concentration of myoglobin of up to 1200 times the background concentration in 60 s was demonstrated. Additionally, negatively charged myoglobin was separated from a solution containing negatively charged allophycocyanin. Cationic cytochrome c was also differentiated from a solution with allophycocyanin. The ability to differentially transport species in bulk solution enables parallel and serial separation modes not available with other separations schemes.

Electrokinetic flow in a capillary with a charge-regulating surface polymer layer.

PubMed

Keh, Huan J; Ding, Jau M

2003-07-15

An analytical study of the steady electrokinetic flow in a long uniform capillary tube or slit is presented. The inside wall of the capillary is covered by a layer of adsorbed or covalently bound charge-regulating polymer in equilibrium with the ambient electrolyte solution. In this solvent-permeable and ion-penetrable surface polyelectrolyte layer, ionogenic functional groups and frictional segments are assumed to distribute at uniform densities. The electrical potential and space charge density distributions in the cross section of the capillary are obtained by solving the linearized Poisson-Boltzmann equation. The fluid velocity profile due to the application of an electric field and a pressure gradient through the capillary is obtained from the analytical solution of a modified Navier-Stokes/Brinkman equation. Explicit formulas for the electroosmotic velocity, the average fluid velocity and electric current density on the cross section, and the streaming potential in the capillary are also derived. The results demonstrate that the direction of the electroosmotic flow and the magnitudes of the fluid velocity and electric current density are dominated by the fixed charge density inside the surface polymer layer, which is determined by the regulation characteristics such as the dissociation equilibrium constants of the ionogenic functional groups in the surface layer and the concentration of the potential-determining ions in the bulk solution.

Calixarene-entrapped nanoemulsion for uranium extraction from contaminated solutions.

PubMed

Spagnul, Aurélie; Bouvier-Capely, Céline; Phan, Guillaume; Rebière, François; Fattal, Elias

2010-03-01

Accidental cutaneous contamination by actinides such as uranium occurring to nuclear power plant workers can lead to their dissemination in other tissues and induce severe damages. Until now, no specific emergency treatment for such contamination has been developed. The aim of the present work was to formulate a tricarboxylic calix[6]arene molecule, known to exhibit good affinity and selectivity for complexing uranium, within a topical delivery system for the treatment of skin contamination. Since calixarene was shown to reduce oil/water interfacial tension, we have designed an oil-in-water nanoemulsion, taking advantage of the small droplet size offering a high contact surface with the contaminated aqueous medium. Characterization of the calixarene nanoemulsion was performed by determination of the oily droplet size, zeta potential and pH, measured as a function of the calixarene concentration. The obtained results have confirmed the surface localization of calixarene molecules being potentially available to extract uranyl ions from an aqueous contaminated solution. In a preliminary experiments, the calixarene nanoemulsion was used for the removal of free uranium from an aqueous contaminated solution. Results showed that the calixarene nanoemulsion extracted up to 80 +/- 5% of uranium, which demonstrates the potential interest of this delivery system for uranium skin decontamination. 2009 Wiley-Liss, Inc. and the American Pharmacists Association

Voltage dependence of acetylcholine receptor channel gating in rat myoballs

PubMed Central

1992-01-01

Whole-cell currents from nicotinic acetylcholine receptor (AChR) channels were studied in rat myoballs using a light-activated agonist to determine the voltage dependence of the macroscopic opening and closing rate constants. Myoballs were bathed in a solution containing a low concentration of the inactive isomer of the photoisomerizable azobenzene derivative, cis-Bis-Q. A light flash was then presented to produce a known concentration jump of agonist, trans-Bis-Q, across a wide range of membrane potentials in symmetrical solutions (NaCl or CsCl on both sides) or asymmetrical solutions (NaCl in the bath and CsCl in the pipette). At the low agonist concentration used in this study, the reciprocal of the macroscopic time constants gives an unambiguous measure of the effective closing rate. It showed an exponential decrease with membrane hyperpolarization between +20 and - 100 mV, but tended to level off at more depolarized and at more hyperpolarized membrane potentials. The relative effective opening rate was derived from the steady-state conductance, the single-channel conductance, and the apparent closing rate; it decreased sharply in the depolarizing region and tended to level off and then turn up in the hyperpolarizing region. The two effective rate constants were shown to depend on the first, second, and third power of membrane potential. PMID:1460456

Assessing the utility of bipolar membranes for use in photoelectrochemical water-splitting cells.

PubMed

Vargas-Barbosa, Nella M; Geise, Geoffrey M; Hickner, Michael A; Mallouk, Thomas E

2014-11-01

Membranes are important in water-splitting solar cells because they prevent crossover of hydrogen and oxygen. Here, bipolar membranes (BPMs) were tested as separators in water electrolysis cells. Steady-state membrane and solution resistances, electrode overpotentials, and pH gradients were measured at current densities relevant to solar photoelectrolysis. Under forward bias conditions, electrodialysis of phosphate buffer ions creates a pH gradient across a BPM. Under reverse bias, the BPM can maintain a constant buffer pH on both sides of the cell, but a large membrane potential develops. Thus, the BPM does not present a viable solution for electrolysis in buffered electrolytes. However, the membrane potential is minimized when the anode and cathode compartments of the cell contain strongly basic and acidic electrolytes, respectively. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electrostatic frequency maps for amide-I mode of β-peptide: Comparison of molecular mechanics force field and DFT calculations.

PubMed

Cai, Kaicong; Zheng, Xuan; Du, Fenfen

2017-08-05

The spectroscopy of amide-I vibrations has been widely utilized for the understanding of dynamical structure of polypeptides. For the modeling of amide-I spectra, two frequency maps were built for β-peptide analogue (N-ethylpropionamide, NEPA) in a number of solvents within different schemes (molecular mechanics force field based, GM map; DFT calculation based, GD map), respectively. The electrostatic potentials on the amide unit that originated from solvents and peptide backbone were correlated to the amide-I frequency shift from gas phase to solution phase during map parameterization. GM map is easier to construct with negligible computational cost since the frequency calculations for the samples are purely based on force field, while GD map utilizes sophisticated DFT calculations on the representative solute-solvent clusters and brings insight into the electronic structures of solvated NEPA and its chemical environments. The results show that the maps' predicted amide-I frequencies present solvation environmental sensitivities and exhibit their specific characters with respect to the map protocols, and the obtained vibrational parameters are in satisfactory agreement with experimental amide-I spectra of NEPA in solution phase. Although different theoretical schemes based maps have their advantages and disadvantages, the present maps show their potentials in interpreting the amide-I spectra for β-peptides, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

Taux: A System for Evaluating Sound Feedback in Navigational Tasks

ERIC Educational Resources Information Center

Lutz, Robert J.

2008-01-01

This thesis presents the design and development of an evaluation system for generating audio displays that provide feedback to persons performing navigation tasks. It first develops the need for such a system by describing existing wayfinding solutions, investigating new electronic location-based methods that have the potential of changing these…

Taking Advantage of Automated Assessment of Student-Constructed Graphs in Science

ERIC Educational Resources Information Center

Vitale, Jonathan M.; Lai, Kevin; Linn, Marcia C.

2015-01-01

We present a new system for automated scoring of graph construction items that address complex science concepts, feature qualitative prompts, and support a range of possible solutions. This system utilizes analysis of spatial features (e.g., slope of a line) to evaluate potential student ideas represented within graphs. Student ideas are then…

"Wolves at the Schoolhouse Door": Comments and Impressions by a Beseiged Business Manager.

ERIC Educational Resources Information Center

Coley, Joe D.

1989-01-01

The Education Writers Association report "Wolves at the Schoolhouse Door" examines the poor condition of public school buildings. The report, utilizing data from all the states and from personal contacts and interviews, presents statistics on enrollment, maintenance budgets, safety, financing, lack of data, and potential solutions. (MLF)

Computer-Based Signing Accommodations: Comparing a Recorded Human with an Avatar

ERIC Educational Resources Information Center

Russell, Michael; Kavanaugh, Maureen; Masters, Jessica; Higgins, Jennifer; Hoffmann, Thomas

2009-01-01

Many students who are deaf or hard-of-hearing are eligible for a signing accommodation for state and other standardized tests. The signing accommodation, however, presents several challenges for testing programs that attempt to administer tests under standardized conditions. One potential solution for many of these challenges is the use of…

Mentoring in Early Care and Education: Refining an Emerging Career Path.

ERIC Educational Resources Information Center

Whitebook, Marcy; And Others

This report presents information collected at a pre-conference roundtable on various aspects of mentoring programs which are seen as a potential solution to the staffing crisis in early childhood education. Part 1 defines the terms "mentoring" and "mentoring programs." It describes the nature of the relationship between mentors…

On the symmetry of the boundary conditions of the volume potential

NASA Astrophysics Data System (ADS)

Kal'menov, Tynysbek Sh.; Arepova, Gaukhar; Suragan, Durvudkhan

2017-09-01

It is well known that the volume potential determines the mass or the charge distributed over the domain with density f. The volume potential is extensively used in function theory and embedding theorems. It is also well known that the volume potential gives a solution to an inhomogeneous equation. And it generates a linear self-adjoint operator. It is known that self-adjoint differential operators are generated by boundary conditions. In our previous papers for an arbitrary domain a boundary condition on the volume potential is given. In the past, it was not possible to prove the self-adjointness of these obtained boundary conditions. In the present paper, we prove the symmetry of boundary condition for the volume potential.

DBI-essence

NASA Astrophysics Data System (ADS)

Martin, Jérôme; Yamaguchi, Masahide

2008-06-01

Models where the dark energy is a scalar field with a nonstandard Dirac-Born-Infeld (DBI) kinetic term are investigated. Scaling solutions are studied and proven to be attractors. The corresponding shape of the brane tension and of the potential is also determined and found to be, as in the standard case, either exponentials or power law of the DBI field. In these scenarios, in contrast to the standard situation, the vacuum expectation value of the field at small redshifts can be small in comparison to the Planck mass which could be an advantage from the model building point of view. This situation arises when the present-day value of the Lorentz factor is large, this property being per se interesting. Serious shortcomings are also present such as the fact that, for simple potentials, the equation of state appears to be too far from the observational favored value -1. Another problem is that, although simple stringy-inspired models precisely lead to the power-law shape that has been shown to possess a tracking behavior, the power index turns out to have the wrong sign. Possible solutions to these issues are discussed.

Approximate labeling via graph cuts based on linear programming.

PubMed

Komodakis, Nikos; Tziritas, Georgios

2007-08-01

A new framework is presented for both understanding and developing graph-cut-based combinatorial algorithms suitable for the approximate optimization of a very wide class of Markov Random Fields (MRFs) that are frequently encountered in computer vision. The proposed framework utilizes tools from the duality theory of linear programming in order to provide an alternative and more general view of state-of-the-art techniques like the \\alpha-expansion algorithm, which is included merely as a special case. Moreover, contrary to \\alpha-expansion, the derived algorithms generate solutions with guaranteed optimality properties for a much wider class of problems, for example, even for MRFs with nonmetric potentials. In addition, they are capable of providing per-instance suboptimality bounds in all occasions, including discrete MRFs with an arbitrary potential function. These bounds prove to be very tight in practice (that is, very close to 1), which means that the resulting solutions are almost optimal. Our algorithms' effectiveness is demonstrated by presenting experimental results on a variety of low-level vision tasks, such as stereo matching, image restoration, image completion, and optical flow estimation, as well as on synthetic problems.

A Computer Program for the Calculation of Three-Dimensional Transonic Nacelle/Inlet Flowfields

NASA Technical Reports Server (NTRS)

Vadyak, J.; Atta, E. H.

1983-01-01

A highly efficient computer analysis was developed for predicting transonic nacelle/inlet flowfields. This algorithm can compute the three dimensional transonic flowfield about axisymmetric (or asymmetric) nacelle/inlet configurations at zero or nonzero incidence. The flowfield is determined by solving the full-potential equation in conservative form on a body-fitted curvilinear computational mesh. The difference equations are solved using the AF2 approximate factorization scheme. This report presents a discussion of the computational methods used to both generate the body-fitted curvilinear mesh and to obtain the inviscid flow solution. Computed results and correlations with existing methods and experiment are presented. Also presented are discussions on the organization of the grid generation (NGRIDA) computer program and the flow solution (NACELLE) computer program, descriptions of the respective subroutines, definitions of the required input parameters for both algorithms, a brief discussion on interpretation of the output, and sample cases to illustrate application of the analysis.

Spikes and matter inhomogeneities in massless scalar field models

NASA Astrophysics Data System (ADS)

Coley, A. A.; Lim, W. C.

2016-01-01

We shall discuss the general relativistic generation of spikes in a massless scalar field or stiff perfect fluid model. We first investigate orthogonally transitive (OT) G 2 stiff fluid spike models both heuristically and numerically, and give a new exact OT G 2 stiff fluid spike solution. We then present a new two-parameter family of non-OT G 2 stiff fluid spike solutions, obtained by the generalization of non-OT G 2 vacuum spike solutions to the stiff fluid case by applying Geroch's transformation on a Jacobs seed. The dynamics of these new stiff fluid spike solutions is qualitatively different from that of the vacuum spike solutions in that the matter (stiff fluid) feels the spike directly and the stiff fluid spike solution can end up with a permanent spike. We then derive the evolution equations of non-OT G 2 stiff fluid models, including a second perfect fluid, in full generality, and briefly discuss some of their qualitative properties and their potential numerical analysis. Finally, we discuss how a fluid, and especially a stiff fluid or massless scalar field, affects the physics of the generation of spikes.

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

Coughlin, Eric R., E-mail: eric_coughlin@berkeley.edu

We present the exact solutions for the collapse of a spherically symmetric cold (i.e., pressureless) cloud under its own self-gravity, valid for arbitrary initial density profiles and not restricted to the realm of self-similarity. These solutions exhibit a number of remarkable features, including the self-consistent formation of and subsequent accretion onto a central point mass. A number of specific examples are provided, and we show that Penston’s solution of pressureless self-similar collapse is recovered for polytropic density profiles; importantly, however, we demonstrate that the time over which this solution holds is fleetingly short, implying that much of the collapse proceedsmore » non-self-similarly. We show that our solutions can naturally incorporate turbulent pressure support, and we investigate the evolution of overdensities—potentially generated by such turbulence—as the collapse proceeds. Finally, we analyze the evolution of the angular velocity and magnetic fields in the limit that their dynamical influence is small, and we recover exact solutions for these quantities. Our results may provide important constraints on numerical models that attempt to elucidate the details of protostellar collapse when the initial conditions are far less idealized.« less

Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent

PubMed Central

Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu

2011-01-01

A general, transferable coarse-grain (CG) framework based on the Gay-Berne potential and electrostatic point multipole expansion is presented for polypeptide simulations. The solvent effect is described by the Generalized Kirkwood theory. The CG model is calibrated using the results of all-atom simulations of model compounds in solution. Instead of matching the overall effective forces produced by atomic models, the fundamental intermolecular forces such as electrostatic, repulsion-dispersion, and solvation are represented explicitly at a CG level. We demonstrate that the CG alanine dipeptide model is able to reproduce quantitatively the conformational energy of all-atom force fields in both gas and solution phases, including the electrostatic and solvation components. Replica exchange molecular dynamics and microsecond dynamic simulations of polyalanine of 5 and 12 residues reveal that the CG polyalanines fold into “alpha helix” and “beta sheet” structures. The 5-residue polyalanine displays a substantial increase in the “beta strand” fraction relative to the 12-residue polyalanine. The detailed conformational distribution is compared with those reported from recent all-atom simulations and experiments. The results suggest that the new coarse-graining approach presented in this study has the potential to offer both accuracy and efficiency for biomolecular modeling. PMID:22029338

Sigma model Q-balls and Q-stars

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

Verbin, Y.

2007-10-15

A new kind of Q-balls is found: Q-balls in a nonlinear sigma model. Their main properties are presented together with those of their self-gravitating generalization, sigma model Q-stars. A simple special limit of solutions which are bound by gravity alone ('sigma stars') is also discussed briefly. The analysis is based on calculating the mass, global U(1) charge and binding energy for families of solutions parametrized by the central value of the scalar field. Two kinds (differing by the potential term) of the new sigma model Q-balls and Q-stars are analyzed. They are found to share some characteristics while differing inmore » other respects like their properties for weak central scalar fields which depend strongly on the form of the potential term. They are also compared with their ordinary counterparts and although similar in some respects, significant differences are found like the existence of an upper bound on the central scalar field. A special subset of the sigma model Q-stars contains those which do not possess a flat space limit. Their relation with sigma star solutions is discussed.« less

Effective adsorption of malachite green using magnetic barium phosphate composite from aqueous solution.

PubMed

Zhang, Fan; Wei, Zhong; Zhang, Wanning; Cui, Haiyan

2017-07-05

Magnetic Ba 3 (PO 4 ) 2 /Fe 3 O 4 -nanoparticle (called BPFN) was prepared, characterized, and developed as a low-cost adsorbent for malachite green (MG) from aqueous solution. Factors such as adsorption temperature, pH of solution, dosage of adsorbent, adsorption kinetics and isotherms were investigated. The maximum adsorption capacity obtained in this work was 1639mgg -1 at 45°C and pH6. The adsorption process fitted the pseudo-first-order kinetic model and Langmuir isotherm model. Evidences from zeta potential, Fourier transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS) data revealed that the adsorption process was driven by electrostatic attraction, the interaction between Lewis base N(CH 3 ) 2 in MG and Lewis acid Ba sites of BPFN. In addition, the BPFN could be easily regenerated by a magnet and the adsorption capacity maintained at 70% after five cycles. The present study suggests that the BPFN had high potential of removing MG from wastewater. Copyright © 2017 Elsevier B.V. All rights reserved.

Construction of sequences of exact analytical solutions for heat diffusion in graded heterogeneous materials by the Darboux transformation method. Examples for half-space

NASA Astrophysics Data System (ADS)

Krapez, J.-C.

2016-09-01

The Darboux transformation is a differential transformation which, like other related methods (supersymmetry quantum mechanics-SUSYQM, factorization method) allows generating sequences of solvable potentials for the stationary 1D Schrodinger equation. It was recently shown that the heat equation in graded heterogeneous media, after a Liouville transformation, reduces to a pair of Schrödinger equations sharing the same potential function, one for the transformed temperature and one for the square root of effusivity. Repeated joint PROperty and Field Darboux Transformations (PROFIDT method) then yield two sequences of solutions: one of new solvable effusivity profiles and one of the corresponding temperature fields. In this paper we present and discuss the outcome in the case of a graded half-space domain. The interest in this methodology is that it provides closed-form solutions based on elementary functions. They are thus easily amenable to an implementation in an inversion process aimed, for example, at retrieving a subsurface effusivity profile from a modulated or transient surface temperature measurement (photothermal characterization).

Plasma Electrolytic Oxidation Coatings on Pure Ti Substrate: Effects of Na3PO4 Concentration on Morphology and Corrosion Behavior of Coatings in Ringer's Physiological Solution

NASA Astrophysics Data System (ADS)

Roknian, Masoud; Fattah-alhosseini, Arash; Gashti, Seyed Omid

2018-03-01

Plasma electrolytic oxidation has been used as a relatively new method for applying ceramic coatings having different features. In the present study, commercially pure titanium is used as substrate, and effects of trisodium phosphate electrolyte concentration on the microstructure, as well as corrosion behavior of the coating in Ringer's physiological solution are investigated. The morphology and phase compositions of coatings were analyzed by using scanning electron microscopy (SEM) and x-ray diffraction patterns. The study on the corrosion behavior of samples in a Ringer's physiological solution was carried out using open-circuit potential potentiodynamic polarization and electrochemical impedance spectroscopy. The results of electrochemical analysis proved that higher concentration of phosphate electrolyte leads to increase in the corrosion resistance of applied coatings. Accordingly, obtained results revealed that the optimum electrolyte concentration for the best corrosion behavior was 20 g L-1. Furthermore, SEM images and reduction in the dielectric breakdown potential indicated that increase in the electrolyte concentration leads to morphological improvement and smoothening of the surface.

Extension of the Helmholtz-Smoluchowski velocity to the hydrophobic microchannels with velocity slip.

PubMed

Park, H M; Kim, T W

2009-01-21

Electrokinetic flows through hydrophobic microchannels experience velocity slip at the microchannel wall, which affects volumetric flow rate and solute retention time. The usual method of predicting the volumetric flow rate and velocity profile for hydrophobic microchannels is to solve the Navier-Stokes equation and the Poisson-Boltzmann equation for the electric potential with the boundary condition of velocity slip expressed by the Navier slip coefficient, which is computationally demanding and defies analytic solutions. In the present investigation, we have devised a simple method of predicting the velocity profiles and volumetric flow rates of electrokinetic flows by extending the concept of the Helmholtz-Smoluchowski velocity to microchannels with Navier slip. The extended Helmholtz-Smoluchowski velocity is simple to use and yields accurate results as compared to the exact solutions. Employing the extended Helmholtz-Smoluchowski velocity, the analytical expressions for volumetric flow rate and velocity profile for electrokinetic flows through rectangular microchannels with Navier slip have been obtained at high values of zeta potential. The range of validity of the extended Helmholtz-Smoluchowski velocity is also investigated.

Telerehabilitation robotics: bright lights, big future?

PubMed

Carignan, Craig R; Krebs, Hermano I

2006-01-01

The potential for remote diagnosis and treatment over the Internet using robotics is now a reality. The state of the art is exemplified by several Internet applications, and we explore the current trends in developing new systems. We review the technical challenges that lie ahead, along with some potential solutions. Some promising results for a new bilateral system involving two InMotion2 robots are presented. Finally, we discuss the future direction and commercial outlook for rehabilitation robots over the next 15 years.

Sample EP Flow Analysis of Severely Damaged Networks

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

Werley, Kenneth Alan; McCown, Andrew William

These are slides for a presentation at the working group meeting of the WESC SREMP Software Product Integration Team on sample EP flow analysis of severely damaged networks. The following topics are covered: ERCOT EP Transmission Model; Zoomed in to Houston and Overlaying StreetAtlas; EMPACT Solve/Dispatch/Shedding Options; QACS BaseCase Power Flow Solution; 3 Substation Contingency; Gen. & Load/100 Optimal Dispatch; Dispatch Results; Shed Load for Low V; Network Damage Summary; Estimated Service Areas (Potential); Estimated Outage Areas (potential).

Isothermal magnetostatic atmospheres. III - Similarity solutions with current proportional to the magnetic potential squared. [in solar corona

NASA Technical Reports Server (NTRS)

Webb, G. M.

1988-01-01

A family of isothermal magnetostatic atmospheres with one ignorable coordinate corresponding to a uniform gravitational field in a plane geometry is considered. It is assumed that the current (J) is proportional to the square of the magnetostatic potential and falls off exponentially with distance. Results are presented for the contributions of the anisotropic J x B force (where B is the magnetic field induction), the gravitational force, and the gas pressure gradient to the force balance.

A Full Automatic Device for Sampling Small Solution Volumes in Photometric Titration Procedure Based on Multicommuted Flow System

PubMed Central

Borges, Sivanildo S.; Vieira, Gláucia P.; Reis, Boaventura F.

2007-01-01

In this work, an automatic device to deliver titrant solution into a titration chamber with the ability to determine the dispensed volume of solution, with good precision independent of both elapsed time and flow rate, is proposed. A glass tube maintained at the vertical position was employed as a container for the titrant solution. Electronic devices were coupled to the glass tube in order to control its filling with titrant solution, as well as the stepwise solution delivering into the titration chamber. The detection of the titration end point was performed employing a photometer designed using a green LED (λ=545 nm) and a phototransistor. The titration flow system comprised three-way solenoid valves, which were assembled to allow that the steps comprising the solution container loading and the titration run were carried out automatically. The device for the solution volume determination was designed employing an infrared LED (λ=930 nm) and a photodiode. When solution volume delivered from proposed device was within the range of 5 to 105 μl, a linear relationship (R = 0.999) between the delivered volumes and the generated potential difference was achieved. The usefulness of the proposed device was proved performing photometric titration of hydrochloric acid solution with a standardized sodium hydroxide solution and using phenolphthalein as an external indicator. The achieved results presented relative standard deviation of 1.5%. PMID:18317510

The magnetic field of a permanent hollow cylindrical magnet

NASA Astrophysics Data System (ADS)

Reich, Felix A.; Stahn, Oliver; Müller, Wolfgang H.

2016-09-01

Based on the rational version of M AXWELL's equations according to T RUESDELL and T OUPIN or KOVETZ, cf. (Kovetz in Electromagnetic theory, Oxford University Press, Oxford, 2000; Truesdell and Toupin in Handbuch der Physik, Bd. III/1, Springer, Berlin, pp 226-793; appendix, pp 794-858, 2000), we present, for stationary processes, a closed-form solution for the magnetic flux density of a hollow cylindrical magnet. Its magnetization is constant in axial direction. We consider M AXWELL's equations in regular and singular points that are obtained by rational electrodynamics, adapted to stationary processes. The magnetic flux density is calculated analytically by means of a vector potential. We obtain a solution in terms of complete elliptic integrals. Therefore, numerical evaluation can be performed in a computationally efficient manner. The solution is written in dimensionless form and can easily be applied to cylinders of arbitrary shape. The relation between the magnetic flux density and the magnetic field is linear, and an explicit relation for the field is presented. With a slight modification the result can be used to obtain the field of a solid cylindrical magnet. The mathematical structure of the solution and, in particular, singularities are discussed.

Single molecule diffusion and the solution of the spherically symmetric residence time equation.

PubMed

Agmon, Noam

2011-06-16

The residence time of a single dye molecule diffusing within a laser spot is propotional to the total number of photons emitted by it. With this application in mind, we solve the spherically symmetric "residence time equation" (RTE) to obtain the solution for the Laplace transform of the mean residence time (MRT) within a d-dimensional ball, as a function of the initial location of the particle and the observation time. The solutions for initial conditions of potential experimental interest, starting in the center, on the surface or uniformly within the ball, are explicitly presented. Special cases for dimensions 1, 2, and 3 are obtained, which can be Laplace inverted analytically for d = 1 and 3. In addition, the analytic short- and long-time asymptotic behaviors of the MRT are derived and compared with the exact solutions for d = 1, 2, and 3. As a demonstration of the simplification afforded by the RTE, the Appendix obtains the residence time distribution by solving the Feynman-Kac equation, from which the MRT is obtained by differentiation. Single-molecule diffusion experiments could be devised to test the results for the MRT presented in this work. © 2011 American Chemical Society

Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems.

PubMed

Veeraraghavan, Srikant; Mazziotti, David A

2014-03-28

We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. While wave function approaches to Hartree-Fock theory yield an upper bound to the Hartree-Fock energy, we derive a semidefinite relaxation of Hartree-Fock theory that yields a rigorous lower bound on the Hartree-Fock energy. We also develop an upper-bound algorithm in which Hartree-Fock theory is cast as a SDP with a nonconvex constraint on the rank of the matrix variable. Equality of the upper- and lower-bound energies guarantees that the computed solution is the globally optimal solution of Hartree-Fock theory. The work extends a previously presented method for closed-shell systems [S. Veeraraghavan and D. A. Mazziotti, Phys. Rev. A 89, 010502-R (2014)]. For strongly correlated systems the SDP approach provides an alternative to the locally optimized Hartree-Fock energies and densities with a certificate of global optimality. Applications are made to the potential energy curves of C2, CN, Cr2, and NO2.

Frequency-Dependent Capacitance of Hydrophobic Membranes Containing Fixed Negative Charges

PubMed Central

Ilani, Asher

1968-01-01

Filters containing fixed negative charges were saturated with hydrophobic solvent and interposed between aqueous solutions. The capacitance of such membranes was measured in the frequency range of 0.05-30 kc. The capacitance increased with decrease in frequency. The frequency dependence of the capacitance was sensitive to nature of the cation present and to salt concentration in the aqueous solution. It is suggested that variation of membrane resistivity in the space charge region of the membrane is responsible for this phenomenon. Possible effects of the potential and counterion concentration profiles at the membrane-water interface are discussed. PMID:5699796

MAGNESIUM ALLOYS IN US MILITARY APPLICATIONS: PAST, CURRENT AND FUTURE SOLUTIONS

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

Mathaudhu, Suveen N.; Nyberg, Eric A.

2010-02-26

Since the 1940’s Mg-alloys have been used for military applications, from aircraft components to ground vehicles. The drive for usage was primarily availability and lightweighting of military systems. But the promise of widespread military usage was not met largely based on corrosion and flammability concerns, poor mechanical behavior and inferior ballistic response. This review paper will cover historical, current and potential future applications with a focus on scientific, engineering and social barriers relevant to integration of Mg-alloy. It will also present mechanical and physical property improvements solutions which are currently being developed to address these issues.

On the parallel solution of parabolic equations

NASA Technical Reports Server (NTRS)

Gallopoulos, E.; Saad, Youcef

1989-01-01

Parallel algorithms for the solution of linear parabolic problems are proposed. The first of these methods is based on using polynomial approximation to the exponential. It does not require solving any linear systems and is highly parallelizable. The two other methods proposed are based on Pade and Chebyshev approximations to the matrix exponential. The parallelization of these methods is achieved by using partial fraction decomposition techniques to solve the resulting systems and thus offers the potential for increased time parallelism in time dependent problems. Experimental results from the Alliant FX/8 and the Cray Y-MP/832 vector multiprocessors are also presented.

Estimates of green tensors for certain boundary value problems

NASA Technical Reports Server (NTRS)

Solonnikov, V.

1988-01-01

Consider the first boundary value problem for a stationary Navier-Stokes system in a bounded three-dimensional region Omega with the boundary S: delta v = grad p+f, div v=0, v/s=0. Odqvist (1930) developed the potential theory and formulated the Green tensor for the above problem. The basic singular solution used by Odqvist to express the Green tensor is given. A theorem generalizing his results is presented along with four associated theorems. A specific problem associated with the study of the differential properties of the solution of stationary problems of magnetohydrodynamics is examined.

Crack growth in bonded elastic half planes

NASA Technical Reports Server (NTRS)

Goree, J. G.

1975-01-01

Two solutions were developed for the two dimensional problem of bonded linearly elastic half-planes. For each solution, numerical results are presented for the stress intensity factors, strain energy release rate, stresses, and displacements. The behavior predicted by the studies was investigated experimentally using polymers for the material pairs. Close agreement was found for the critical stress intensity factor at fracture for the perpendicular crack near the interface. Fracture along the interface proved to be inconclusive due to difficulties in obtaining a brittle bond. Some interesting and predictable behavior regarding the potential for the crack to cross the interface was observed and is discussed.

Medical entomology--back to the future?

PubMed

Reisen, William K

2014-12-01

Some of problems and challenges facing Medical/Veterinary Entomology are presented from my perspective, focusing on the current millennium. Topics include anthropogenic environmental changes created by population growth, administrative problems hindering science's response to these changes, and some of the scientific discoveries potentially providing solutions. As the title implies, many recent research discoveries have yet to be translated into major changes in control approaches for the major vectorborne public health problems, thereby providing an interesting mix of modern surveillance technology used to track problems and direct historical intervention solutions. Copyright © 2013 Elsevier B.V. All rights reserved.

Active Removal of Large Debris: Electrical Propulsion Capabilities

NASA Astrophysics Data System (ADS)

Billot Soccodato, Carole; Lorand, Anthony; Perrin, Veronique; Couzin, Patrice; FontdecabaBaig, Jordi

2013-08-01

The risk for current operational spacecraft or future market induced by large space debris, dead satellites or rocket bodies, in Low Earth Orbit has been identified several years ago. Many potential solutions and architectures are traded with a main objective of reducing cost per debris. Based on cost consideration, specially driven by launch cost, solutions constructed on multi debris capture capacities seem to be much affordable The recent technologic evolutions in electric propulsion and solar power generation can be used to combine high potential vehicles for debris removal. The present paper reports the first results of a study funded by CNES that addresses full electric solutions for large debris removal. Some analysis are currently in progress as the study will end in August. It compares the efficiency of in-orbit Active Removal of typical debris using electric propulsion The electric engine performances used in this analysis are demonstrated through a 2012/2013 PPS 5000 on-ground tests campaign. The traded missions are based on a launch in LEO, the possible vehicle architectures with capture means or contact less, the selection of deorbiting or reorbiting strategy. For contact less strategy, the ion-beam shepherd effect towards the debris problematic will be addressed. Vehicle architecture and performance of the overall system will be stated, showing the adequacy and the limits of each solution.

Restoring Redundancy to the MAP Propulsion System

NASA Technical Reports Server (NTRS)

ODonnell, James R., Jr.; Davis, Gary T.; Ward, David K.; Bauer, F. (Technical Monitor)

2002-01-01

The Microwave Anisotropy Probe is a follow-on to the Differential Microwave Radiometer instrument on the Cosmic Background Explorer. Sixteen months before launch, it was discovered that from the time of the critical design review, configuration changes had resulted in a significant migration of the spacecraft's center of mass. As a result, the spacecraft no longer had a viable backup control mode in the event of a failure of the negative pitch axis thruster. Potential solutions to this problem were identified, such as adding thruster plume shields to redirect thruster torque, adding mass to, or removing it from, the spacecraft, adding an additional thruster, moving thrusters, bending thrusters (either nozzles or propellant tubing), or accepting the loss of redundancy for the thruster. The impacts of each solution, including effects on the mass, cost, and fuel budgets, as well as schedule, were considered, and it was decided to bend the thruster propellant tubing of the two roll control thrusters, allowing that pair to be used for back-up control in the negative pitch axis. This paper discusses the problem and the potential solutions, and documents the hardware and software changes that needed to be made to implement the chosen solution. Flight data is presented to show the propulsion system on-orbit performance.

A composite velocity procedure for the compressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Khosla, P. K.; Rubin, S. G.

1982-01-01

A new boundary-layer relaxation procedure is presented. In the spirit of the theory of matched asymptotic expansions, a multiplicative composite of the appropriate velocity representations for the inviscid and viscous regions is prescribed. The resulting equations are structured so that far from the surface of the body the momentum equations lead to the Bernoulli relation for the pressure, while the continuity equation reduces to the familiar compressible potential equation. Close to the body surface, the governing equations and solution techniques are characteristic of those describing interacting boundary-layers; although, the full Navier-Stokes equations are considered here. Laminar flow calculations for the subsonic flow over an axisymmetric boattail simulator geometry are presented for a variety of Reynolds and Mach numbers. A strongly implicit solution method is applied for the coupled velocity components.

Computational and experimental aftbody flow fields for hypersonic, airbreathing configurations with scramjet exhaust flow simulation

NASA Technical Reports Server (NTRS)

Huebner, Lawrence D.; Tatum, Kenneth E.

1991-01-01

Computational results are presented for three issues pertinent to hypersonic, airbreathing vehicles employing scramjet exhaust flow simulation. The first issue consists of a comparison of schlieren photographs obtained on the aftbody of a cruise missile configuration under powered conditions with two-dimensional computational solutions. The second issue presents the powered aftbody effects of modeling the inlet with a fairing to divert the external flow as compared to an operating flow-through inlet on a generic hypersonic vehicle. Finally, a comparison of solutions examining the potential of testing powered configurations in a wind-off, instead of a wind-on, environment, indicate that, depending on the extent of the three-dimensional plume, it may be possible to test aftbody powered hypersonic, airbreathing configurations in a wind-off environment.

One-dimensional Vlasov-Maxwell equilibrium for the force-free Harris sheet.

PubMed

Harrison, Michael G; Neukirch, Thomas

2009-04-03

In this Letter, the first nonlinear force-free Vlasov-Maxwell equilibrium is presented. One component of the equilibrium magnetic field has the same spatial structure as the Harris sheet, but whereas the Harris sheet is kept in force balance by pressure gradients, in the force-free solution presented here force balance is maintained by magnetic shear. Magnetic pressure, plasma pressure and plasma density are constant. The method used to find the equilibrium is based on the analogy of the one-dimensional Vlasov-Maxwell equilibrium problem to the motion of a pseudoparticle in a two-dimensional conservative potential. The force-free solution can be generalized to a complete family of equilibria that describe the transition between the purely pressure-balanced Harris sheet to the force-free Harris sheet.

Dirac potential in the Doebner-Goldin equation

NASA Astrophysics Data System (ADS)

Jia, Wei; Ma, Yi Rong; Hu, Fang Qi; Zhao, Qing

2018-01-01

We study a dissipative quantum system which is described by the Doebner-Goldin equation (DGE) model. For time-independent states, the new three-dimensional analytical solutions of the DGE are obtained by binding the vertical relation of velocity and the gradient of density in the system, when the form of a central potential such as hard core or harmonic oscillator is suggested. Through the gauge-invariant parameters which characterize the physical nature of the dissipation, we find a novel set of gauge-invariant parameters which show that the Galilean invariance is broken in this system. Moreover, a subfamily of the DGE can be obtained after a gauge transformation, which describes a dissipative quantum system with the conserved Galilean invariance. It is interesting that this dissipative quantum system is completely equivalent to a charge-monopole system, in which the Dirac potential is supplied with the nonlinear terms and two cases of the velocity potential. Especially, the two gauge potentials given by Wu and Yang emerge from solving the DGE as two cases in our approach. The results not only present some new physical comprehension of the dissipative quantum system, but also might shed light on the Dirac monopole potential, in the sense that the partition into south and north hemisphere is avoided in our new solutions.

Geometry effect on electrokinetic flow and ionic conductance in pH-regulated nanochannels

NASA Astrophysics Data System (ADS)

Sadeghi, Morteza; Saidi, Mohammad Hassan; Moosavi, Ali; Sadeghi, Arman

2017-12-01

Semi-analytical solutions are obtained for the electrical potential, electroosmotic velocity, ionic conductance, and surface physicochemical properties associated with long pH-regulated nanochannels of arbitrary but constant cross-sectional area. The effects of electric double layer overlap, multiple ionic species, and surface association/dissociation reactions are all taken into account, assuming low surface potentials. The method of analysis includes series solutions which the pertinent coefficients are obtained by applying the wall boundary conditions using either of the least-squares or point matching techniques. Although the procedure is general enough to be applied to almost any arbitrary cross section, nine nanogeometries including polygonal, trapezoidal, double-trapezoidal, rectangular, elliptical, semi-elliptical, isosceles triangular, rhombic, and isotropically etched profiles are selected for presentation. For the special case of an elliptic cross section, full analytical solutions are also obtained utilizing the Mathieu functions. We show that the geometrical configuration plays a key role in determination of the ionic conductance, surface charge density, electrical potential and velocity fields, and proton enhancement. In this respect, the net electric charge and convective ionic conductance are higher for channels of larger perimeter to area ratio, whereas the opposite is true for the average surface charge density and mean velocity; the geometry impact on the two latest ones, however, vanishes if the background salt concentration is high enough. Moreover, we demonstrate that considering a constant surface potential equal to the average charge-regulated potential provides sufficiently accurate results for smooth geometries such as an ellipse at medium-high aspect ratios but leads to significant errors for geometries having narrow corners such as a triangle.

Capacitive mixing with electrodes of the same kind for energy production from salinity differences

NASA Astrophysics Data System (ADS)

Marino, M.; Kozynchenko, O.; Tennison, S.; Brogioli, D.

2016-03-01

The capacitive mixing technique is aimed at producing renewable energy from salinity differences, for example between sea and river water. The technique makes use of two electrodes that modify their potential in opposite directions when the concentration of the solution in which they are immersed is changed, as a consequence of the dynamics of the electric double layer which forms in the ionic solution. Unfortunately, it is difficult to find two electrodes presenting both optimal performances and opposite potential variations. In order to overcome this problem, we present here a cell scheme with electrodes of the same kind (and thus identical dependence of potential on concentration) which can be operated with a CapMix cycle; it is based on a concentration cell with identical electrodes dipped into two compartments separated by a non-perm-selective porous diaphragm. Thanks to the cyclic operation, the actual cell voltage rise and the power production are close to the values obtained with the traditional scheme, or even higher, depending on the features of the ion transport in the liquid junction region. We present an experimental demonstration of the working principles and we study the power production and energy efficiency in the light of the theory of ion transport in fluids. We show that our technique is competitive with respect to the other CapMix techniques, with the relevant advantage that we make use of only one kind of electrode.

Capacitive mixing with electrodes of the same kind for energy production from salinity differences.

PubMed

Marino, M; Kozynchenko, O; Tennison, S; Brogioli, D

2016-03-23

The capacitive mixing technique is aimed at producing renewable energy from salinity differences, for example between sea and river water. The technique makes use of two electrodes that modify their potential in opposite directions when the concentration of the solution in which they are immersed is changed, as a consequence of the dynamics of the electric double layer which forms in the ionic solution. Unfortunately, it is difficult to find two electrodes presenting both optimal performances and opposite potential variations. In order to overcome this problem, we present here a cell scheme with electrodes of the same kind (and thus identical dependence of potential on concentration) which can be operated with a CapMix cycle; it is based on a concentration cell with identical electrodes dipped into two compartments separated by a non-perm-selective porous diaphragm. Thanks to the cyclic operation, the actual cell voltage rise and the power production are close to the values obtained with the traditional scheme, or even higher, depending on the features of the ion transport in the liquid junction region. We present an experimental demonstration of the working principles and we study the power production and energy efficiency in the light of the theory of ion transport in fluids. We show that our technique is competitive with respect to the other CapMix techniques, with the relevant advantage that we make use of only one kind of electrode.

A web-based rapid assessment tool for production publishing solutions

NASA Astrophysics Data System (ADS)

Sun, Tong

2010-02-01

Solution assessment is a critical first-step in understanding and measuring the business process efficiency enabled by an integrated solution package. However, assessing the effectiveness of any solution is usually a very expensive and timeconsuming task which involves lots of domain knowledge, collecting and understanding the specific customer operational context, defining validation scenarios and estimating the expected performance and operational cost. This paper presents an intelligent web-based tool that can rapidly assess any given solution package for production publishing workflows via a simulation engine and create a report for various estimated performance metrics (e.g. throughput, turnaround time, resource utilization) and operational cost. By integrating the digital publishing workflow ontology and an activity based costing model with a Petri-net based workflow simulation engine, this web-based tool allows users to quickly evaluate any potential digital publishing solutions side-by-side within their desired operational contexts, and provides a low-cost and rapid assessment for organizations before committing any purchase. This tool also benefits the solution providers to shorten the sales cycles, establishing a trustworthy customer relationship and supplement the professional assessment services with a proven quantitative simulation and estimation technology.

Molecular solution processing of metal chalcogenide thin film solar cells

NASA Astrophysics Data System (ADS)

Yang, Wenbing

The barrier to utilize solar generated electricity mainly comes from their higher cost relative to fossil fuels. However, innovations with new materials and processing techniques can potentially make cost effective photovoltaics. One such strategy is to develop solution processed photovoltaics which avoid the expensive vacuum processing required by traditional solar cells. The dissertation is mainly focused on two absorber material system for thin film solar cells: chalcopyrite CuIn(S,Se)2 (CISS) and kesterite Cu2ZnSn(S,Se) 4 organized in chronological order. Chalcopyrite CISS is a very promising material. It has been demonstrated to achieve the highest efficiency among thin film solar cells. Scaled-up industry production at present has reached the giga-watt per year level. The process however mainly relies on vacuum systems which account for a significant percentage of the manufacturing cost. In the first section of this dissertation, hydrazine based solution processed CISS has been explored. The focus of the research involves the procedures to fabricate devices from solution. The topics covered in Chapter 2 include: precursor solution synthesis with a focus on understanding the solution chemistry, CISS absorber formation from precursor, properties modification toward favorable device performance, and device structure innovation toward tandem device. For photovoltaics to have a significant impact toward meeting energy demands, the annual production capability needs to be on TW-level. On such a level, raw materials supply of rare elements (indium for CIS or tellurium for CdTe) will be the bottleneck limiting the scalability. Replacing indium with zinc and tin, earth abundant kesterite CZTS exhibits great potential to reach the goal of TW-level with no limitations on raw material availability. Chapter 3 shows pioneering work towards solution processing of CZTS film at low temperature. The solution processed devices show performances which rival vacuum-based techniques and is partially attributed to the ease in controlling composition and CZTS phase through this technique. Based on this platform, comprehensive characterization on CZTS devices is carried out including solar cells and transistors. Especially defects properties are exploited in Chapter 4 targeting to identify the limiting factors for further improvement on CZTS solar cells efficiency. Finally, molecular structures and precursor solution stability have been explored, potentially to provide a universal approach to process multinary compounds.

Tides on Self-gravitating, Compressible Bodies

NASA Astrophysics Data System (ADS)

Hurford, T. A.; Greenberg, R.

2001-11-01

Most modern derivations of tidal amplitude follow the approach presented by Love [1]. Love's analysis for a homogeneous sphere assumed an incompressible material, which required introduction of a non-rigorously justified pressure term. We have solved the more general case of arbitrary compressibility, which allows for a more straightforward derivation [2,3]. We find the h2 love number of a body of radius R, density ρ , by solving the deformation equation [4], μ ∇ 2 u = ρ ∇U - (λ + μ ) ∇ (∇ ṡ u) where μ is the rigidity of the body and λ the Lamé constant. The potential U is the sum of (a) the tide raising potential, (b) the potential of surface mass shifted above or below the spherical surface, (c) potential due to the internal density changes and (d) the change in potential of each bit of volume due to its displacement u. A self-consistent solution can be obtained with U = \\sum_{q=0}^{\\infty} b_{(2+2q)} r^{(2+2q)} ( {3}/{2} \\cos2 \\theta - {1}/{2} ). In [1] and [3] only the r2 term was considered, which was valid only if compressibility is small or elasticity governs deformation (i.e. ρ g R << (λ + 2 μ )). The solution with only the r2 term reduces to Love's [1] solution in the limit of zero compressibility (λ = ∞ ). However, for rock μ ~ λ [4], in which case h2 is enhanced by ~ 3 %, and solutions for greater compressibility give up to 8 % enhancement of tidal amplitude. If ρ g R is significant, higher order r(2q+2) terms are important and even greater corrections are required to the classical tidal amplitude. [1] Love, A.E.H., New York Dover Publications, 1944 [2] Hurford, T.A. and R. Greenberg, Lunar Plan. Sci. XXXII 1741, 2001 [3] Hurford, T.A. and R. Greenberg, 2001 DDA meeting, Bull. Amer. Astron. Soc. in press [4] Kaula, W.M., John Wiley & Sons, Inc., 1968

Computational attributes of the integral form of the equation of transfer

NASA Technical Reports Server (NTRS)

Frankel, J. I.

1991-01-01

Difficulties can arise in radiative and neutron transport calculations when a highly anisotropic scattering phase function is present. In the presence of anisotropy, currently used numerical solutions are based on the integro-differential form of the linearized Boltzmann transport equation. This paper, departs from classical thought and presents an alternative numerical approach based on application of the integral form of the transport equation. Use of the integral formalism facilitates the following steps: a reduction in dimensionality of the system prior to discretization, the use of symbolic manipulation to augment the computational procedure, and the direct determination of key physical quantities which are derivable through the various Legendre moments of the intensity. The approach is developed in the context of radiative heat transfer in a plane-parallel geometry, and results are presented and compared with existing benchmark solutions. Encouraging results are presented to illustrate the potential of the integral formalism for computation. The integral formalism appears to possess several computational attributes which are well-suited to radiative and neutron transport calculations.

Stationary solutions for the nonlinear Schrödinger equation modeling three-dimensional spherical Bose-Einstein condensates in general potentials.

PubMed

Mallory, Kristina; Van Gorder, Robert A

2015-07-01

Stationary solutions for the cubic nonlinear Schrödinger equation modeling Bose-Einstein condensates (BECs) confined in three spatial dimensions by general forms of a potential are studied through a perturbation method and also numerically. Note that we study both repulsive and attractive BECs under similar frameworks in order to deduce the effects of the potentials in each case. After outlining the general framework, solutions for a collection of specific confining potentials of physical relevance to experiments on BECs are provided in order to demonstrate the approach. We make several observations regarding the influence of the particular potentials on the behavior of the BECs in these cases, comparing and contrasting the qualitative behavior of the attractive and repulsive BECs for potentials of various strengths and forms. Finally, we consider the nonperturbative where the potential or the amplitude of the solutions is large, obtaining various qualitative results. When the kinetic energy term is small (relative to the nonlinearity and the confining potential), we recover the expected Thomas-Fermi approximation for the stationary solutions. Naturally, this also occurs in the large mass limit. Through all of these results, we are able to understand the qualitative behavior of spherical three-dimensional BECs in weak, intermediate, or strong confining potentials.

Solution-phase electronegativity scale: insight into the chemical behaviors of metal ions in solution.

PubMed

Li, Keyan; Li, Min; Xue, Dongfeng

2012-04-26

By incorporating the solvent effect into the Born effective radius, we have proposed an electronegativity scale of metal ions in aqueous solution with the most common oxidation states and hydration coordination numbers in terms of the effective ionic electrostatic potential. It is found that the metal ions in aqueous solution are poorer electron acceptors compared to those in the gas phase. This solution-phase electronegativity scale shows its efficiency in predicting some important properties of metal ions in aqueous solution such as the aqueous acidities of the metal ions, the stability constants of metal complexes, and the solubility product constants of the metal hydroxides. We have elaborated that the standard reduction potential and the solution-phase electronegativity are two different quantities for describing the processes of metal ions in aqueous solution to soak up electrons with different final states. This work provides a new insight into the chemical behaviors of the metal ions in aqueous solution, indicating a potential application of this electronegativity scale to the design of solution reactions.

A numerical solution for two-dimensional Fredholm integral equations of the second kind with kernels of the logarithmic potential form

NASA Technical Reports Server (NTRS)

Gabrielsen, R. E.; Uenal, A.

1981-01-01

Two dimensional Fredholm integral equations with logarithmic potential kernels are numerically solved. The explicit consequence of these solutions to their true solutions is demonstrated. The results are based on a previous work in which numerical solutions were obtained for Fredholm integral equations of the second kind with continuous kernels.

A variational approach to the strongly nonlinear regime of the Rayleigh-Taylor instability

NASA Astrophysics Data System (ADS)

Yoshikawa, Toshio

The Rayleigh-Taylor instability is the instability of the interface between two fluids of different densities. When a heavy fluid is superposed over a light fluid. small disturbances on the interface develop into a complex form with heavy fluid ``fingers'' and light fluid ``bubbles.'' We propose a variational method for the description of the evolution of the fingers and bubbles in the late stage of the instability. In this method, the fluid region is represented as the image of a time-dependent conformal mapping; the dynamics of the mapping is determined by the least action principle for the Lagrangian. i.e., the kinetic energy minus the potential energy. The evolution of a single finger and bubble is investigated by this method. We first consider a symmetric finger and bubble in a zero gravitational field. We derive an integrable Hamiltonian system with two degrees of freedom that governs the dynamics of the symmetric finger and bubble. We present a general solution of the system. The solution predicts the linear growth of the finger and the saturation of the bubble growth. It is shown that this solution is asymptotically exact. We consider a symmetric finger and bubble with perturbations. We show that the dynamics of the finger and bubble and that of the perturbations are decoupled. We next consider an inclined finger and bubble in a zero gravitational field. We derive a Hamiltonian system with four degrees of freedom that governs the dynamics of the inclined finger and bubble. The system has four integrals of motion, one of them depends on time explicitly. When there is no lateral motion, the system reduces to an integrable Hamiltonian system with three degrees of freedom. A general solution of the system is presented. The solution predicts the linear growth of the finger toward a direction and the saturation of the bubble growth. Finally, we consider a symmetric finger and bubble in a uniform gravitational field. We derive a Hamiltonian system with two degrees of freedom that governs the dynamics of the symmetric finger and bubble. Since the system includes a potential energy term, it is not integrable in general. However, we present a general solution in the case of the total energy being zero. This case corresponds to an interesting case where the evolution starts from a flat surface. The solution predicts that the finger grows as the square of time, and the bubble as the square root of time.

The effect of solute on the homogeneous crystal nucleation frequency in metallic melts

NASA Technical Reports Server (NTRS)

Thompson, C. V.; Spaepen, F.

1982-01-01

A complete calculation that extends the classical theory for crystal nucleation in pure melts to binary alloys has been made. Using a regular solution model, approximate expressions have been developed for the free energy change upon crystallization as a function of solute concentration. They are used, together with model-based estimates of the interfacial tension, to calculate the nucleation frequency. The predictions of the theory for the maximum attainable undercooling are compared with existing experimental results for non-glass forming alloys. The theory is also applied to several easy glass-forming alloys (Pd-Si, Au-Si, Fe-B) for qualitative comparison with the present experimental experience on the ease of glass formation, and for assessment of the potential for formation of the glass in bulk.

Possible impact solutions of asteroid (99942) Apophis

NASA Astrophysics Data System (ADS)

Wlodarczyk, Ireneusz

2017-07-01

We computed impact solutions of the potentially dangerous asteroid (99942) Apophis based on 4469 optical observations from March 15.10789 UTC, 2004 through January 03.26308 UTC, 2015, and 20 radar observations from January 27.97986 UTC, 2005 through March 15.99931 UTC, 2013. However, we computed possible impact solutions by using the Line Of Variation method out to σ LOV = 5 computing 3000 virtual asteroids (VAs) on both sides of the LOV which gives 6001 VAs and propagated their orbits to JD 2495000.5 TDT=December 24, 2118. We computed the non-gravitational parameter A2=-5.586×10^{-14} au/d^{2} with 1-σ uncertainty 2.965×10^{-14} au/d^{2} and possible impacts until 2096. The possible impact corridor for 2068 is presented.

Unruh thermal hadronization and the cosmological constant

NASA Astrophysics Data System (ADS)

Frassino, Antonia M.; Bleicher, Marcus; Mann, Robert B.

2018-05-01

We use black holes with a negative cosmological constant to investigate aspects of the freeze-out temperature for hadron production in high energy heavy-ion collisions. The two black hole solutions present in the anti-de Sitter geometry have different mass and are compared to the data showing that the small black hole solution is in good agreement. This is a new feature in the literature since the small black hole in general relativity has different thermodynamic behavior from that of the large black hole solution. We find that the inclusion of the cosmological constant (which can be interpreted as the plasma pressure) leads to a lowering of the temperature of the freeze-out curve as a function of the baryochemical potential, improving the description previously suggested by Castorina, Kharzeev, and Satz.

Benchmark solutions for the galactic ion transport equations: Energy and spatially dependent problems

NASA Technical Reports Server (NTRS)

Ganapol, Barry D.; Townsend, Lawrence W.; Wilson, John W.

1989-01-01

Nontrivial benchmark solutions are developed for the galactic ion transport (GIT) equations in the straight-ahead approximation. These equations are used to predict potential radiation hazards in the upper atmosphere and in space. Two levels of difficulty are considered: (1) energy independent, and (2) spatially independent. The analysis emphasizes analytical methods never before applied to the GIT equations. Most of the representations derived have been numerically implemented and compared to more approximate calculations. Accurate ion fluxes are obtained (3 to 5 digits) for nontrivial sources. For monoenergetic beams, both accurate doses and fluxes are found. The benchmarks presented are useful in assessing the accuracy of transport algorithms designed to accommodate more complex radiation protection problems. In addition, these solutions can provide fast and accurate assessments of relatively simple shield configurations.

Cartan symmetries and global dynamical systems analysis in a higher-order modified teleparallel theory

NASA Astrophysics Data System (ADS)

Karpathopoulos, L.; Basilakos, S.; Leon, G.; Paliathanasis, A.; Tsamparlis, M.

2018-07-01

In a higher-order modified teleparallel theory cosmological we present analytical cosmological solutions. In particular we determine forms of the unknown potential which drives the scalar field such that the field equations form a Liouville integrable system. For the determination of the conservation laws we apply the Cartan symmetries. Furthermore, inspired from our solutions, a toy model is studied and it is shown that it can describe the Supernova data, while at the same time introduces dark matter components in the Hubble function. When the extra matter source is a stiff fluid then we show how analytical solutions for Bianchi I universes can be constructed from our analysis. Finally, we perform a global dynamical analysis of the field equations by using variables different from that of the Hubble-normalization.

Optical and Piezoelectric Study of KNN Solid Solutions Co-Doped with La-Mn and Eu-Fe.

PubMed

Peña-Jiménez, Jesús-Alejandro; González, Federico; López-Juárez, Rigoberto; Hernández-Alcántara, José-Manuel; Camarillo, Enrique; Murrieta-Sánchez, Héctor; Pardo, Lorena; Villafuerte-Castrejón, María-Elena

2016-09-28

The solid-state method was used to synthesize single phase potassium-sodium niobate (KNN) co-doped with the La 3+ -Mn 4+ and Eu 3+ -Fe 3+ ion pairs. Structural determination of all studied solid solutions was accomplished by XRD and Rietveld refinement method. Electron paramagnetic resonance (EPR) studies were performed to determine the oxidation state of paramagnetic centers. Optical spectroscopy measurements, excitation, emission and decay lifetime were carried out for each solid solution. The present study reveals that doping KNN with La 3+ -Mn 4+ and Eu 3+ -Fe 3+ at concentrations of 0.5 mol % and 1 mol %, respectively, improves the ferroelectric and piezoelectric behavior and induce the generation of optical properties in the material for potential applications.

Optical and Piezoelectric Study of KNN Solid Solutions Co-Doped with La-Mn and Eu-Fe

PubMed Central

Peña-Jiménez, Jesús-Alejandro; González, Federico; López-Juárez, Rigoberto; Hernández-Alcántara, José-Manuel; Camarillo, Enrique; Murrieta-Sánchez, Héctor; Pardo, Lorena; Villafuerte-Castrejón, María-Elena

2016-01-01

The solid-state method was used to synthesize single phase potassium-sodium niobate (KNN) co-doped with the La3+–Mn4+ and Eu3+–Fe3+ ion pairs. Structural determination of all studied solid solutions was accomplished by XRD and Rietveld refinement method. Electron paramagnetic resonance (EPR) studies were performed to determine the oxidation state of paramagnetic centers. Optical spectroscopy measurements, excitation, emission and decay lifetime were carried out for each solid solution. The present study reveals that doping KNN with La3+–Mn4+ and Eu3+–Fe3+ at concentrations of 0.5 mol % and 1 mol %, respectively, improves the ferroelectric and piezoelectric behavior and induce the generation of optical properties in the material for potential applications. PMID:28773925

Biogenic uraninite precipitation and its reoxidation by iron(III) (hydr)oxides: A reaction modeling approach

NASA Astrophysics Data System (ADS)

Spycher, Nicolas F.; Issarangkun, Montarat; Stewart, Brandy D.; Sevinç Şengör, S.; Belding, Eileen; Ginn, Tim R.; Peyton, Brent M.; Sani, Rajesh K.

2011-08-01

One option for immobilizing uranium present in subsurface contaminated groundwater is in situ bioremediation, whereby dissimilatory metal-reducing bacteria and/or sulfate-reducing bacteria are stimulated to catalyze the reduction of soluble U(VI) and precipitate it as uraninite (UO 2). This is typically accomplished by amending groundwater with an organic electron donor. It has been shown, however, that once the electron donor is entirely consumed, Fe(III) (hydr)oxides can reoxidize biogenically produced UO 2, thus potentially impeding cleanup efforts. On the basis of published experiments showing that such reoxidation takes place even under highly reducing conditions (e.g., sulfate-reducing conditions), thermodynamic and kinetic constraints affecting this reoxidation are examined using multicomponent biogeochemical simulations, with particular focus on the role of sulfide and Fe(II) in solution. The solubility of UO 2 and Fe(III) (hydr)oxides are presented, and the effect of nanoscale particle size on stability is discussed. Thermodynamically, sulfide is preferentially oxidized by Fe(III) (hydr)oxides, compared to biogenic UO 2, and for this reason the relative rates of sulfide and UO 2 oxidation play a key role on whether or not UO 2 reoxidizes. The amount of Fe(II) in solution is another important factor, with the precipitation of Fe(II) minerals lowering the Fe +2 activity in solution and increasing the potential for both sulfide and UO 2 reoxidation. The greater (and unintuitive) UO 2 reoxidation by hematite compared to ferrihydrite previously reported in some experiments can be explained by the exhaustion of this mineral from reaction with sulfide. Simulations also confirm previous studies suggesting that carbonate produced by the degradation of organic electron donors used for bioreduction may significantly increase the potential for UO 2 reoxidation through formation of uranyl carbonate aqueous complexes.

Construction of nonsingular pre-big-bang and ekpyrotic cosmologies and the resulting density perturbations

NASA Astrophysics Data System (ADS)

Tsujikawa, Shinji; Brandenberger, Robert; Finelli, Fabio

2002-10-01

We consider the construction of nonsingular pre-big-bang and ekpyrotic type cosmological models realized by the addition to the action of specific higher-order terms stemming from quantum corrections. We study models involving general relativity coupled to a single scalar field with a potential motivated by the ekpyrotic scenario. We find that the inclusion of the string loop and quantum correction terms in the string frame makes it possible to obtain solutions of the variational equations which are nonsingular and bouncing in the Einstein frame, even when a negative exponential potential is present, as is the case in the ekpyrotic scenario. This allows us to discuss the evolution of cosmological perturbations without the need to invoke matching conditions between two Einstein universes, one representing the contracting branch, the second the expanding branch. We analyze the spectra of perturbations produced during the bouncing phase and find that the spectrum of curvature fluctuations in the model proposed originally to implement the ekpyrotic scenario has a large blue tilt (nR=3). Except for instabilities introduced on small scales, the result agrees with what is obtained by imposing continuity of the induced metric and of the extrinsic curvature across a constant scalar field (up to k2 corrections equal to the constant energy density) matching surface between the contracting and the expanding Einstein universes. We also discuss nonsingular cosmological solutions obtained when a Gauss-Bonnet term with a coefficient suitably dependent on the scalar matter field is added to the action in the Einstein frame with a potential for the scalar field present. In this scenario, nonsingular solutions are found which start in an asymptotically flat state, undergo a period of superexponential inflation, and end with a graceful exit. The spectrum of fluctuations is also calculated in this case.

Conventional and reciprocal approaches to the inverse dipole localization problem for N(20)-P (20) somatosensory evoked potentials.

PubMed

Finke, Stefan; Gulrajani, Ramesh M; Gotman, Jean; Savard, Pierre

2013-01-01

The non-invasive localization of the primary sensory hand area can be achieved by solving the inverse problem of electroencephalography (EEG) for N(20)-P(20) somatosensory evoked potentials (SEPs). This study compares two different mathematical approaches for the computation of transfer matrices used to solve the EEG inverse problem. Forward transfer matrices relating dipole sources to scalp potentials are determined via conventional and reciprocal approaches using individual, realistically shaped head models. The reciprocal approach entails calculating the electric field at the dipole position when scalp electrodes are reciprocally energized with unit current-scalp potentials are obtained from the scalar product of this electric field and the dipole moment. Median nerve stimulation is performed on three healthy subjects and single-dipole inverse solutions for the N(20)-P(20) SEPs are then obtained by simplex minimization and validated against the primary sensory hand area identified on magnetic resonance images. Solutions are presented for different time points, filtering strategies, boundary-element method discretizations, and skull conductivity values. Both approaches produce similarly small position errors for the N(20)-P(20) SEP. Position error for single-dipole inverse solutions is inherently robust to inaccuracies in forward transfer matrices but dependent on the overlapping activity of other neural sources. Significantly smaller time and storage requirements are the principal advantages of the reciprocal approach. Reduced computational requirements and similar dipole position accuracy support the use of reciprocal approaches over conventional approaches for N(20)-P(20) SEP source localization.

Iterative discrete ordinates solution of the equation for surface-reflected radiance

NASA Astrophysics Data System (ADS)

Radkevich, Alexander

2017-11-01

This paper presents a new method of numerical solution of the integral equation for the radiance reflected from an anisotropic surface. The equation relates the radiance at the surface level with BRDF and solutions of the standard radiative transfer problems for a slab with no reflection on its surfaces. It is also shown that the kernel of the equation satisfies the condition of the existence of a unique solution and the convergence of the successive approximations to that solution. The developed method features two basic steps: discretization on a 2D quadrature, and solving the resulting system of algebraic equations with successive over-relaxation method based on the Gauss-Seidel iterative process. Presented numerical examples show good coincidence between the surface-reflected radiance obtained with DISORT and the proposed method. Analysis of contributions of the direct and diffuse (but not yet reflected) parts of the downward radiance to the total solution is performed. Together, they represent a very good initial guess for the iterative process. This fact ensures fast convergence. The numerical evidence is given that the fastest convergence occurs with the relaxation parameter of 1 (no relaxation). An integral equation for BRDF is derived as inversion of the original equation. The potential of this new equation for BRDF retrievals is analyzed. The approach is found not viable as the BRDF equation appears to be an ill-posed problem, and it requires knowledge the surface-reflected radiance on the entire domain of both Sun and viewing zenith angles.

Brane-world black hole solutions via a confining potential

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

Heydari-Fard, M.; Sepangi, H. R.; Razmi, H.

2007-09-15

Using a confining potential, we consider spherically symmetric vacuum (static black hole) solutions in a brane-world scenario. Working with a constant curvature bulk, two interesting cases/solutions are studied. A Schwarzschild-de Sitter black hole solution similar to the standard solution in the presence of a cosmological constant is obtained which confirms the idea that an extra term in the field equations on the brane can play the role of a positive cosmological constant and may be used to account for the accelerated expansion of the universe. The other solution is one in which we can have a proper potential to explainmore » the galaxy rotation curves without assuming the existence of dark matter and without working with new modified theories (modified Newtonian dynamics)« less

Atmospheric pollution in a coal mine region of Romania and solutions to assure sustainable development

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

Irimie, I.I.; Tulbure, I.

1996-12-31

The present paper presents the following subjects regarding the atmospheric pollution in the Jiu-Valley coal mining region of Romania: identifying polluting sources, pointing out the pollution favoring conditions, the pollution impacts, and measures for short, middle, and long time, which could be taken in order to obtain a sustainable future development of this region. The importance of the problems presented in this paper is emphasized by the fact, that beside coking and fuel coal reserves, this region has a high touristic potential the year round.

Different sodium salts cause different solute accumulation in the halophyte Prosopis strombulifera.

PubMed

Llanes, A; Bertazza, G; Palacio, G; Luna, V

2013-01-01

The success of Prosopis strombulifera in growing under high NaCl concentrations involves a carefully controlled balance among different processes, including compartmentation of Cl(-) and Na(+) in leaf vacuoles, exclusion of Na(+) in roots, osmotic adjustment and low transpiration. In contrast, Na(2) SO(4) causes growth inhibition and toxicity. We propose that protection of the cytoplasm can be achieved through production of high endogenous levels of specific compatible solutes. To test our hypothesis, we examined endogenous levels of compatible solutes in roots and leaves of 29-, 40- and 48-day-old P. strombulifera plants grown in media containing various concentrations of NaCl, Na(2) SO(4) or in mixtures of both, with osmotic potentials of -1.0,-1.9 and -2.6 MPa, as correlated with changes in hydric parameters. At 24 h after the last pulse plants grown in high NaCl concentrations had higher relative water content and relatively higher osmotic potential than plants grown in Na(2) SO(4) (at 49 days). These plants also had increased synthesis of proline, pinitol and mannitol in the cytoplasm, accompanied by normal carbon metabolism. When the sulphate anion is present in the medium, the capacities for ion compartmentalisation and osmotic adjustment are reduced, resulting in water imbalance and symptoms of toxicity due to altered carbon metabolism, e.g. synthesis of sorbitol instead of mannitol, reduced sucrose production and protein content. This inhibition was partially mitigated when both anions were present together in the solution, demonstrating a detrimental effect of the sulphate ion on plant growth. © 2012 German Botanical Society and The Royal Botanical Society of the Netherlands.

Potentials of mean force for biomolecular simulations: Theory and test on alanine dipeptide

NASA Astrophysics Data System (ADS)

Pellegrini, Matteo; Grønbech-Jensen, Niels; Doniach, Sebastian

1996-06-01

We describe a technique for generating potentials of mean force (PMF) between solutes in an aqueous solution. We first generate solute-solvent correlation functions (CF) using Monte Carlo (MC) simulations in which we place a single atom solute in a periodic boundary box containing a few hundred water molecules. We then make use of the Kirkwood superposition approximation, where the 3-body correlation function is approximated as the product of 2-body CFs, to describe the mean water density around two solutes. Computing the force generated on the solutes by this average water density allows us to compute potentials of mean force between the two solutes. For charged solutes an additional approximation involving dielectric screening is made, by setting the dielectric constant of water to ɛ=80. These potentials account, in an approximate manner, for the average effect of water on the atoms. Following the work of Pettitt and Karplus [Chem. Phys. Lett. 121, 194 (1985)], we approximate the n-body potential of mean force as a sum of the pairwise potentials of mean force. This allows us to run simulations of biomolecules without introducing explicit water, hence gaining several orders of magnitude in efficiency with respect to standard molecular dynamics techniques. We demonstrate the validity of this technique by first comparing the PMFs for methane-methane and sodium-chloride generated with this procedure, with those calculated with a standard Monte Carlo simulation with explicit water. We then compare the results of the free energy profiles between the equilibria of alanine dipeptide generated by the two methods.

Effects of pH, temperature and pulsed electric fields on the turbidity and protein aggregation of ovomucin-depleted egg white.

PubMed

Liu, Ya-Fei; Oey, Indrawati; Bremer, Phil; Carne, Alan; Silcock, Pat

2017-01-01

The effect of either pulsed electric fields (PEF) or thermal processing on protein aggregation of ovomucin-depleted egg white (OdEW) solutions at different pH was assessed by solution turbidity and SDS-PAGE. Heating to 60°C for 10min caused marked protein aggregation of OdEW at pH5, 7, and 9. At constant electric field strength (E=1.4-1.8kV/cm), PEF processing under high specific energy input (W spec =260-700kJ/kg) induced some protein aggregation at pH5 and 7, but not at either pH4 or 9. Similar effects of pH on protein aggregation were observed upon PEF processing at varied E (from 0.7 to 1.7kV/cm) but with constant W spec (713kJ/kg). Analysis by SDS-PAGE revealed that proteins in the OdEW solution at pH5 were most susceptible to both PEF- and heat-induced protein aggregation and lysozyme was only involved in the formation of insoluble aggregates under PEF. The present study shows that PEF treatment has considerable potential for minimizing protein aggregation in the processing of heat-labile egg white proteins. Retaining the OdEW proteins in solution during processing has potential industry application, for example, protein fortification of drinks with OdEW, where minimizing solution turbidity would be advantageous. Copyright © 2016 Elsevier Ltd. All rights reserved.

Water movement through plant roots - exact solutions of the water flow equation in roots with linear or exponential piecewise hydraulic properties

NASA Astrophysics Data System (ADS)

Meunier, Félicien; Couvreur, Valentin; Draye, Xavier; Zarebanadkouki, Mohsen; Vanderborght, Jan; Javaux, Mathieu

2017-12-01

In 1978, Landsberg and Fowkes presented a solution of the water flow equation inside a root with uniform hydraulic properties. These properties are root radial conductivity and axial conductance, which control, respectively, the radial water flow between the root surface and xylem and the axial flow within the xylem. From the solution for the xylem water potential, functions that describe the radial and axial flow along the root axis were derived. These solutions can also be used to derive root macroscopic parameters that are potential input parameters of hydrological and crop models. In this paper, novel analytical solutions of the water flow equation are developed for roots whose hydraulic properties vary along their axis, which is the case for most plants. We derived solutions for single roots with linear or exponential variations of hydraulic properties with distance to root tip. These solutions were subsequently combined to construct single roots with complex hydraulic property profiles. The analytical solutions allow one to verify numerical solutions and to get a generalization of the hydric behaviour with the main influencing parameters of the solutions. The resulting flow distributions in heterogeneous roots differed from those in uniform roots and simulations led to more regular, less abrupt variations of xylem suction or radial flux along root axes. The model could successfully be applied to maize effective root conductance measurements to derive radial and axial hydraulic properties. We also show that very contrasted root water uptake patterns arise when using either uniform or heterogeneous root hydraulic properties in a soil-root model. The optimal root radius that maximizes water uptake under a carbon cost constraint was also studied. The optimal radius was shown to be highly dependent on the root hydraulic properties and close to observed properties in maize roots. We finally used the obtained functions for evaluating the impact of root maturation versus root growth on water uptake. Very diverse uptake strategies arise from the analysis. These solutions open new avenues to investigate for optimal genotype-environment-management interactions by optimization, for example, of plant-scale macroscopic hydraulic parameters used in ecohydrogolocial models.

Semi-Analytical Models of CO2 Injection into Deep Saline Aquifers: Evaluation of the Area of Review and Leakage through Abandoned Wells

EPA Science Inventory

This presentation will provide a conceptual preview of an Area of Review (AoR) tool being developed by EPA’s Office of Research and Development that applies analytic and semi-analytical mathematical solutions to elucidate potential risks associated with geologic sequestration of ...

Review of Interventions in the Field of Prevention of Adolescent Pregnancy. Preliminary Report.

ERIC Educational Resources Information Center

Dryfoos, Joy G.

This report presents an overview of programs that may have a potential for prevention of teenage pregnancy. The report starts with a summary of expert opinions on the dimensions of and solutions to the problem and then describes several relatively successful programs. Following this is an overview of interventions with an analysis of program…

In Search of the Dimensions of an Incandescent Light Bulb Filament

ERIC Educational Resources Information Center

Ladino, Luis A.; Rondón, Hermilda S.

2018-01-01

The purpose of this paper is to present and discuss an alternative solution to an experimental problem given to high school students in the XXII Ibero-American Physics Olympiad held by Colombia this year. From the measurements of electric current and potential difference across a small tungsten filament lamp students should find the dimensions of…

Evaluating the Accessibility of Web-Based Instruction for Students with Disabilities.

ERIC Educational Resources Information Center

Hinn, D. Michelle

This paper presents the methods and results of a year-long evaluation study, conducted for the purpose of determining disability accessibility barriers and potential solutions for those barriers found in four World Wide Web-based learning environments. The primary questions used to frame the evaluation study were: (1) Are there any features of the…

Implementing a Structured Reading Program in an Afterschool Setting: Problems and Potential Solutions

ERIC Educational Resources Information Center

Hartry, Ardice; Fitzgerald, Robert; Porter, Kristie

2008-01-01

In this article, Ardice Hartry, Robert Fitzgerald, and Kristie Porter present results from their implementation study of a structured reading program for fourth, fifth, and sixth graders in an afterschool setting. As the authors explain, schools and districts often view an extended school day as a promising way to address the literacy needs of…

Energy Ambiguity and the Inductive Rail Oscillator

ERIC Educational Resources Information Center

Hecking, Patrick C.

2007-01-01

In electric or mixed electric-mechanic systems, the distinction between potential and kinetic energy is not as clear as in purely mechanical systems. A solution for the motion of an inductively loaded rail generator is presented. In this case, the magnetic field energy (1/2)Li[superscript 2] can be written "formally" in terms of a potential…

Thermodynamic and Structural Properties of Methanol-Water Solutions Using Non-Additive Interaction Models

PubMed Central

Zhong, Yang; Warren, G. Lee; Patel, Sandeep

2014-01-01

We study bulk structural and thermodynamic properties of methanol-water solutions via molecular dynamics simulations using novel interaction potentials based on the charge equilibration (fluctuating charge) formalism to explicitly account for molecular polarization at the atomic level. The study uses the TIP4P-FQ potential for water-water interactions, and the CHARMM-based (Chemistry at HARvard Molecular Mechanics) fluctuating charge potential for methanol-methanol and methanol-water interactions. In terms of bulk solution properties, we discuss liquid densities, enthalpies of mixing, dielectric constants, self-diffusion constants, as well as structural properties related to local hydrogen bonding structure as manifested in radial distribution functions and cluster analysis. We further explore the electronic response of water and methanol in the differing local environments established by the interaction of each species predominantly with molecules of the other species. The current force field for the alcohol-water interaction performs reasonably well for most properties, with the greatest deviation from experiment observed for the excess mixing enthalpies, which are predicted to be too favorable. This is qualitatively consistent with the overestimation of the methanol-water gas-phase interaction energy for the lowest-energy conformer (methanol as proton donor). Hydration free energies for methanol in TIP4P-FQ water are predicted to be −5.6±0.2 kcal/mole, in respectable agreement with the experimental value of −5.1 kcal/mole. With respect to solution micro-structure, the present cluster analysis suggests that the micro-scale environment for concentrations where select thermodynamic quantities reach extremal values is described by a bi-percolating network structure. PMID:18074339

Preclinical safety evaluation of submicronized sildenafil citrate nebulization solution in small experimental animals.

PubMed

Agrawal, Priyanka; Soni, Sandeep; Mittal, Gaurav; Bhatnagar, Aseem

2015-01-01

Sildenafil citrate (SC) nebulization solution has the potential to treat pulmonary hypertension by delivering high concentration directly to the respiratory system while minimizing systemic drug exposure and associated toxicity. The objective of the present study was to evaluate the potential toxicity of aerosolized SC (inhaled) in Sprague dawley rats for 28 days. The rats were randomly divided into five groups (n = 6). Placebo (normal saline) was inhaled to group I (control). Group II was exposed to therapeutic dose (TD): 20 mg/kg, while group 3 and group 4 were exposed to 3 TD and 6 TD, respectively, till 28 days and toxicokinetic parameters were evaluated in group V. The particle size of the nebulized solution of SC (1%) was measured by using Anderson Cascade Impactor. At the end of experiment, all animals were sacrificed. Endpoints used to evaluate potential toxicity of inhaled sildenafil citrate were clinical observations, body weight, and clinical pathology along with broncho-alveolar lavage (BAL) Fluid investigation. ACI study has shown that more than 70% aerosolized drug particles were in submicron range (0.3-0.5 μm). There was no systemic toxicity or clinically limiting local respiratory toxicity associated with inhalation exposure to SC nebulization solution at 6 TD. No significant changes were observed in the level of different blood and BALF parameters in treated groups in comparison to control. Histopathological examination revealed no abnormal findings in the animals of treated group. The data demonstrate that aerosolized sildenafil citrate is well tolerated in rats and suggest its use in humans.

On the Debye-Hückel effect of electric screening

NASA Astrophysics Data System (ADS)

Campos, L. M. B. C.; Lau, F. J. P.

2014-07-01

The paper considers non-linear self-consistent electric potential equation (Sec. I), due to a cloud made of a single species of electric charges, satisfying a Boltzmann distribution law (Sec. II). Exact solutions are obtained in a simple logarithmic form, in three cases: (Sec. III) spherical radial symmetry; (Sec. IV) plane parallel symmetry; (Sec. V) a special case of azimuthal-cylindrical symmetry. All these solutions, and their transformations (Sec. VI), involve the Debye-Hückel radius; the latter was originally defined from a solution of the linearized self-consistent potential equation. Using an exact solution of the self-consistent potential equation, the distance at which the potential vanishes differs from the Debye-Hückel radius by a factor of √2 . The preceding (Secs. II-VI) simple logarithmic exact solutions of the self-consistent potential equations involve no arbitrary constants, and thus are special or singular integrals not the general integral. The general solution of the self-consistent potential equation is obtained in the plane parallel case (Sec. VII), and it involves two arbitrary constants that can be reduced to one via a translation (Sec. VIII). The plots of dimensionless potential (Figure 1), electric field (Figure 2), charge density (Figure 3), and total charge between ζ and infinity (Figure 4), versus distance normalized to Debye-Hückel radius ζ ≡ z/a, show that (Sec. IX) there is a continuum of solutions, ranging from a charge distribution concentrated inside the Debye-Hückel radius to one spread-out beyond it. The latter case leads to the limiting case of logarithmic potential, and stronger electric field; the former case, of very concentrated charge distribution, leads to a fratricide effect and weaker electric field.

Potential of mean force between two hydrophobic solutes in water.

PubMed

Southall, Noel T; Dill, Ken A

2002-12-10

We study the potential of mean force between two nonpolar solutes in the Mercedes Benz model of water. Using NPT Monte Carlo simulations, we find that the solute size determines the relative preference of two solute molecules to come into contact ('contact minimum') or to be separated by a single layer of water ('solvent-separated minimum'). Larger solutes more strongly prefer the contacting state, while smaller solutes have more tendency to become solvent-separated, particularly in cold water. The thermal driving forces oscillate with solute separation. Contacts are stabilized by entropy, whereas solvent-separated solute pairing is stabilized by enthalpy. The free energy of interaction for small solutes is well-approximated by scaled-particle theory. Copyright 2002 Elsevier Science B.V.

Constrained Optimization Methods in Health Services Research-An Introduction: Report 1 of the ISPOR Optimization Methods Emerging Good Practices Task Force.

PubMed

Crown, William; Buyukkaramikli, Nasuh; Thokala, Praveen; Morton, Alec; Sir, Mustafa Y; Marshall, Deborah A; Tosh, Jon; Padula, William V; Ijzerman, Maarten J; Wong, Peter K; Pasupathy, Kalyan S

2017-03-01

Providing health services with the greatest possible value to patients and society given the constraints imposed by patient characteristics, health care system characteristics, budgets, and so forth relies heavily on the design of structures and processes. Such problems are complex and require a rigorous and systematic approach to identify the best solution. Constrained optimization is a set of methods designed to identify efficiently and systematically the best solution (the optimal solution) to a problem characterized by a number of potential solutions in the presence of identified constraints. This report identifies 1) key concepts and the main steps in building an optimization model; 2) the types of problems for which optimal solutions can be determined in real-world health applications; and 3) the appropriate optimization methods for these problems. We first present a simple graphical model based on the treatment of "regular" and "severe" patients, which maximizes the overall health benefit subject to time and budget constraints. We then relate it back to how optimization is relevant in health services research for addressing present day challenges. We also explain how these mathematical optimization methods relate to simulation methods, to standard health economic analysis techniques, and to the emergent fields of analytics and machine learning. Copyright © 2017 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

Exact solution of finite parabolic potential disc-like quantum dot with and without electric field R. Djelti, S. Bentata and Z. Aziz: Trimer barrier hight effect oh the nature of the electronic state of the superlatice GaAs/AlxGa1-xAs Bibhas K. Dutta and Prasanta K. Mahapatra: Study of velocity-dependent collision effects on Lamb dip and crossover resonances in three-level system

NASA Astrophysics Data System (ADS)

Hassanien, H. H.; Abdelmoly, S. S.; Elmeshad, N.

The exact series solutions of finite parabolic potential disc-like quantum dot are given in the absence and presence of uniform applied electric field. We define some normalized parameters. From the complex eigenenergy E=E0 - i G/2, due to the electric field, we calculate the resonance width G of a bounded state. The ground and the first excited state of the electron and the hole are obtained with and without the electric field. The corresponding envelope functions are presented as a function of the disc dimensionality, radius R and half-width L.

A graphene oxide/amidoxime hydrogel for enhanced uranium capture

PubMed Central

Wang, Feihong; Li, Hongpeng; Liu, Qi; Li, Zhanshuang; Li, Rumin; Zhang, Hongsen; Liu, Lianhe; Emelchenko, G. A.; Wang, Jun

2016-01-01

The efficient development of selective materials for the recovery of uranium from nuclear waste and seawater is necessary for their potential application in nuclear fuel and the mitigation of nuclear pollution. In this work, a graphene oxide/amidoxime hydrogel (AGH) exhibits a promising adsorption performance for uranium from various aqueous solutions, including simulated seawater. We show high adsorption capacities (Qm = 398.4 mg g−1) and high % removals at ppm or ppb levels in aqueous solutions for uranium species. In the presence of high concentrations of competitive ions such as Mg2+, Ca2+, Ba2+ and Sr2+, AGH displays an enhanced selectivity for uranium. For low uranium concentrations in simulated seawater, AGH binds uranium efficiently and selectively. The results presented here reveal that the AGH is a potential adsorbent for remediating nuclear industrial effluent and adsorbing uranium from seawater. PMID:26758649

Analytical bound-state solutions of the Schrödinger equation for the Manning-Rosen plus Hulthén potential within SUSY quantum mechanics

NASA Astrophysics Data System (ADS)

Ahmadov, A. I.; Naeem, Maria; Qocayeva, M. V.; Tarverdiyeva, V. A.

2018-01-01

In this paper, the bound-state solution of the modified radial Schrödinger equation is obtained for the Manning-Rosen plus Hulthén potential by using new developed scheme to overcome the centrifugal part. The energy eigenvalues and corresponding radial wave functions are defined for any l≠0 angular momentum case via the Nikiforov-Uvarov (NU) and supersymmetric quantum mechanics (SUSY QM) methods. Thanks to both methods, equivalent expressions are obtained for the energy eigenvalues, and the expression of radial wave functions transformations to each other is presented. The energy levels and the corresponding normalized eigenfunctions are represented in terms of the Jacobi polynomials for arbitrary l states. A closed form of the normalization constant of the wave functions is also found. It is shown that, the energy eigenvalues and eigenfunctions are sensitive to nr radial and l orbital quantum numbers.

Aristoforin, a novel stable derivative of hyperforin, is a potent anticancer agent.

PubMed

Gartner, Michael; Müller, Thomas; Simon, Jan C; Giannis, Athanassios; Sleeman, Jonathan P

2005-01-01

Hyperforin, a natural product of St. John's wort (Hypericum perforatum L.), has a number of pharmacological activities, including antidepressive and antibacterial properties. Furthermore, hyperforin has pronounced antitumor properties against different tumor cell lines, both in vitro and in vivo. Despite being a promising novel anticancer agent, the poor solubility and stability of hyperforin in aqueous solution limits its potential clinical application. In this study, we present the synthesis of hyperforin derivatives with improved pharmacological activity. The synthesized compounds were tested for their solubility and stability properties. They were also investigated for their antitumor properties, both in vitro and in vivo. One of these hyperforin derivatives, Aristoforin, is more soluble in aqueous solution than hyperforin and is additionally highly stable. Importantly, it retains the antitumor properties of the parental compound without inducing toxicity in experimental animals. These data strongly suggest that Aristoforin has potential as an anticancer drug.

Graviton fluctuations erase the cosmological constant

NASA Astrophysics Data System (ADS)

Wetterich, C.

2017-10-01

Graviton fluctuations induce strong non-perturbative infrared renormalization effects for the cosmological constant. The functional renormalization flow drives a positive cosmological constant towards zero, solving the cosmological constant problem without the need to tune parameters. We propose a simple computation of the graviton contribution to the flow of the effective potential for scalar fields. Within variable gravity, with effective Planck mass proportional to the scalar field, we find that the potential increases asymptotically at most quadratically with the scalar field. The solutions of the derived cosmological equations lead to an asymptotically vanishing cosmological "constant" in the infinite future, providing for dynamical dark energy in the present cosmological epoch. Beyond a solution of the cosmological constant problem, our simplified computation also entails a sizeable positive graviton-induced anomalous dimension for the quartic Higgs coupling in the ultraviolet regime, substantiating the successful prediction of the Higgs boson mass within the asymptotic safety scenario for quantum gravity.

Engineering Non-Wetting Antimicrobial Fabrics

NASA Astrophysics Data System (ADS)

van den Berg, Desmond

This research presents novel techniques and a review of commercially available fabrics for their antimicrobial potential. Based on previous research into the advantages of superhydrophobic self-cleaning surfaces against bacterial contamination, insights into what can make a superhydrophobic fabric inherently antimicrobial were analyzed. Through comparing the characterization results of scanning electron microscopy (SEM) and optical profilometry to microbiology experiments, hypotheses into the relationship between the contact area of a bacterial solution and the extent of contamination is developed. Contact scenario experiments, involving the use of fluorescence microscopy and calculating colony forming units, proved that the contamination potential of any fabric is due to the wetting state exhibited by the fabric, as well as the extent of surface texturing. Transmission experiments, utilizing a novel technique of stamping a contaminated fabric, outlined the importance of retention of solutions or bacteria during interactions within the hospital environment on the extent of contamination.

FEM Techniques for High Stress Detection in Accelerated Fatigue Simulation

NASA Astrophysics Data System (ADS)

Veltri, M.

2016-09-01

This work presents the theory and a numerical validation study in support to a novel method for a priori identification of fatigue critical regions, with the aim to accelerate durability design in large FEM problems. The investigation is placed in the context of modern full-body structural durability analysis, where a computationally intensive dynamic solution could be required to identify areas with potential for fatigue damage initiation. The early detection of fatigue critical areas can drive a simplification of the problem size, leading to sensible improvement in solution time and model handling while allowing processing of the critical areas in higher detail. The proposed technique is applied to a real life industrial case in a comparative assessment with established practices. Synthetic damage prediction quantification and visualization techniques allow for a quick and efficient comparison between methods, outlining potential application benefits and boundaries.

Biocorrosion study of titanium-cobalt alloys.

PubMed

Chern Lin, J H; Lo, S J; Ju, C P

1995-05-01

The present work provides experimental results of corrosion behaviour in Hank's physiological solution and some other properties of in-house fabricated titanium-cobalt alloys with cobalt ranging from 25-30% in weight. X-ray diffraction (XRD) shows that, in water-quenched (WQ) alloys, beta-titanium is largely retained, whereas in furnace-cooled (FC) alloys, little beta-titanium is found. Hardness of the alloys increases with increasing cobalt content, ranging from 455 VHN for WQ Ti-25 wt% Co to 525 VHN for WQ Ti-30 wt% Co. Differential thermal analysis (DTA) indicates that melting temperatures of the alloys are lower than that of pure titanium by about 600 degrees C. Potentiodynamic polarization results show that all measured break-down potentials in Hank's solution at 37 degrees C are higher than 800 mV. The breakdown potential for the FC Ti-25 Wt% Co alloy is even as high as nearly 1200 mV.

Biochip for Real-Time Monitoring of Hepatitis B Virus (HBV) by Combined Loop-Mediated Isothermal Amplification and Solution-Phase Electrochemical Detection

NASA Astrophysics Data System (ADS)

Tien, Bui Quang; Ngoc, Nguyen Thy; Loc, Nguyen Thai; Thu, Vu Thi; Lam, Tran Dai

2017-06-01

Accurate in situ diagnostic tests play a key role in patient management and control of most infectious diseases. To achieve this, use of handheld biochips that implement sample handling, sample analysis, and result readout together is an ideal approach. We present herein a fluid-handling biochip for real-time electrochemical monitoring of nucleic acid amplification based on loop-mediated isothermal amplification and real-time electrochemical detection on a microfluidic platform. Intercalation between amplifying DNA and free redox probe in solution phase was used to monitor the number of DNA copies. The whole diagnostic process is completed within 70 min. Our platform offers a fast and easy tool for quantification of viral pathogens in shorter time and with limited risk of all potential forms of cross-contamination. Such diagnostic tools have potential to make a huge difference to the lives of millions of people worldwide.

On the rational monodromy-free potentials with sextic growth

NASA Astrophysics Data System (ADS)

Gibbons, J.; Veselov, A. P.

2009-01-01

We study the rational potentials V(x ), with sextic growth at infinity, such that the corresponding one-dimensional Schrödinger equation has no monodromy in the complex domain for all values of the spectral parameter. We investigate in detail the subclass of such potentials which can be constructed by the Darboux transformations from the well-known class of quasiexactly solvable potentials V =x6-νx2+l(l +1)/x2. We show that, in contrast with the case of quadratic growth, there are monodromy-free potentials which have quasirational eigenfunctions, but which cannot be given by this construction. We discuss the relations between the corresponding algebraic varieties and present some elementary solutions of the Calogero-Moser problem in the external field with sextic potential.

Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets.

PubMed

Boese, A Daniel; Forbert, Harald; Masia, Marco; Tekin, Adem; Marx, Dominik; Jansen, Georg

2011-08-28

The infrared spectroscopy of molecules, complexes, and molecular aggregates dissolved in superfluid helium clusters, commonly called HElium NanoDroplet Isolation (HENDI) spectroscopy, is an established, powerful experimental technique for extracting high resolution ro-vibrational spectra at ultra-low temperatures. Realistic quantum simulations of such systems, in particular in cases where the solute is undergoing a chemical reaction, require accurate solute-helium potentials which are also simple enough to be efficiently evaluated over the vast number of steps required in typical Monte Carlo or molecular dynamics sampling. This precludes using global potential energy surfaces as often parameterized for small complexes in the realm of high-resolution spectroscopic investigations that, in view of the computational effort imposed, are focused on the intermolecular interaction of rigid molecules with helium. Simple Lennard-Jones-like pair potentials, on the other hand, fall short in providing the required flexibility and accuracy in order to account for chemical reactions of the solute molecule. Here, a general scheme of constructing sufficiently accurate site-site potentials for use in typical quantum simulations is presented. This scheme employs atom-based grids, accounts for local and global minima, and is applied to the special case of a HCl(H(2)O)(4) cluster solvated by helium. As a first step, accurate interaction energies of a helium atom with a set of representative configurations sampled from a trajectory following the dissociation of the HCl(H(2)O)(4) cluster were computed using an efficient combination of density functional theory and symmetry-adapted perturbation theory, i.e. the DFT-SAPT approach. For each of the sampled cluster configurations, a helium atom was placed at several hundred positions distributed in space, leading to an overall number of about 400,000 such quantum chemical calculations. The resulting total interaction energies, decomposed into several energetic contributions, served to fit a site-site potential, where the sites are located at the atomic positions and, additionally, pseudo-sites are distributed along the lines joining pairs of atom sites within the molecular cluster. This approach ensures that this solute-helium potential is able to describe both undissociated molecular and dissociated (zwitter-) ionic configurations, as well as the interconnecting reaction pathway without re-adjusting partial charges or other parameters depending on the particular configuration. Test calculations of the larger HCl(H(2)O)(5) cluster interacting with helium demonstrate the transferability of the derived site-site potential. This specific potential can be readily used in quantum simulations of such HCl/water clusters in bulk helium or helium nanodroplets, whereas the underlying construction procedure can be generalized to other molecular solutes in other atomic solvents such as those encountered in rare gas matrix isolation spectroscopy.

Non-autonomous multi-rogue waves for spin-1 coupled nonlinear Gross-Pitaevskii equation and management by external potentials.

PubMed

Li, Li; Yu, Fajun

2017-09-06

We investigate non-autonomous multi-rogue wave solutions in a three-component(spin-1) coupled nonlinear Gross-Pitaevskii(GP) equation with varying dispersions, higher nonlinearities, gain/loss and external potentials. The similarity transformation allows us to relate certain class of multi-rogue wave solutions of the spin-1 coupled nonlinear GP equation to the solutions of integrable coupled nonlinear Schrödinger(CNLS) equation. We study the effect of time-dependent quadratic potential on the profile and dynamic of non-autonomous rogue waves. With certain requirement on the backgrounds, some non-autonomous multi-rogue wave solutions exhibit the different shapes with two peaks and dip in bright-dark rogue waves. Then, the managements with external potential and dynamic behaviors of these solutions are investigated analytically. The results could be of interest in such diverse fields as Bose-Einstein condensates, nonlinear fibers and super-fluids.

Effects of overlapping electric double layer on mass transport of a macro-solute across porous wall of a micro/nanochannel for power law fluid.

PubMed

Bhattacharjee, Saikat; Mondal, Mrinmoy; De, Sirshendu

2017-05-01

Effects of overlapping electric double layer and high wall potential on transport of a macrosolute for flow of a power law fluid through a microchannel with porous walls are studied in this work. The electric potential distribution is obtained by coupling the Poisson's equation without considering the Debye-Huckel approximation. The numerical solution shows that the center line potential can be 16% of wall potential at pH 8.5, at wall potential -73 mV and scaled Debye length 0.5. Transport phenomena involving mass transport of a neutral macrosolute is formulated by species advective equation. An analytical solution of Sherwood number is obtained for power law fluid. Effects of fluid rheology are studied in detail. Average Sherwood number is more for a pseudoplastic fluid compared to dilatant upto the ratio of Poiseuille to electroosmotic velocity of 5. Beyond that, the Sherwood number is independent of fluid rheology. Effects of fluid rheology and solute size on permeation flux and concentration of neutral solute are also quantified. More solute permeation occurs as the fluid changes from pseudoplastic to dilatant. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stern potential and Debye length measurements in dilute ionic solutions with electrostatic force microscopy.

PubMed

Kumar, Bharat; Crittenden, Scott R

2013-11-01

We demonstrate the ability to measure Stern potential and Debye length in dilute ionic solution with atomic force microscopy. We develop an analytic expression for the second harmonic force component of the capacitive force in an ionic solution from the linearized Poisson-Boltzmann equation. This allows us to calibrate the AFM tip potential and, further, obtain the Stern potential of sample surfaces. In addition, the measured capacitive force is independent of van der Waals and double layer forces, thus providing a more accurate measure of Debye length.

Inversion of potential field data using the finite element method on parallel computers

NASA Astrophysics Data System (ADS)

Gross, L.; Altinay, C.; Shaw, S.

2015-11-01

In this paper we present a formulation of the joint inversion of potential field anomaly data as an optimization problem with partial differential equation (PDE) constraints. The problem is solved using the iterative Broyden-Fletcher-Goldfarb-Shanno (BFGS) method with the Hessian operator of the regularization and cross-gradient component of the cost function as preconditioner. We will show that each iterative step requires the solution of several PDEs namely for the potential fields, for the adjoint defects and for the application of the preconditioner. In extension to the traditional discrete formulation the BFGS method is applied to continuous descriptions of the unknown physical properties in combination with an appropriate integral form of the dot product. The PDEs can easily be solved using standard conforming finite element methods (FEMs) with potentially different resolutions. For two examples we demonstrate that the number of PDE solutions required to reach a given tolerance in the BFGS iteration is controlled by weighting regularization and cross-gradient but is independent of the resolution of PDE discretization and that as a consequence the method is weakly scalable with the number of cells on parallel computers. We also show a comparison with the UBC-GIF GRAV3D code.

Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics study.

PubMed

Xu, Yulong; Zhang, Jingxue; Wang, Dunyou

2015-06-28

The CH3Cl + CN(-) reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack SN2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show that the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ∼11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.

Investigation of the CH3Cl + CN- reaction in water: Multilevel quantum mechanics/molecular mechanics study

NASA Astrophysics Data System (ADS)

Xu, Yulong; Zhang, Jingxue; Wang, Dunyou

2015-06-01

The CH3Cl + CN- reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack SN2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show that the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ˜11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.

The 71F Advantage: Applying Army Research Psychology for Health and Performance Gains

DTIC Science & Technology

2010-08-01

for an accident investigator to enter work and sleep data into a laptop program while in the field and get a comprehensive report of potential ... potentially modifiable stresses Soldiers face is lack of sleep. While it may not be possible to eliminate sleep loss during military operations, it is impor...establishing goals, identifying potential solutions, systematically evaluating all possible solutions, selecting and exe- cuting a solution, and

Skin phototoxicity of cosmetic formulations containing photounstable and photostable UV-filters and vitamin A palmitate.

PubMed

Gaspar, Lorena R; Tharmann, Julian; Maia Campos, Patricia M B G; Liebsch, Manfred

2013-02-01

The aim of this study was to evaluate the in vitro skin phototoxicity of cosmetic formulations containing photounstable and photostable UV-filters and vitamin A palmitate, assessed by two in vitro techniques: 3T3 Neutral Red Uptake Phototoxicity Test and Human 3-D Skin Model In Vitro Phototoxicity Test. For this, four different formulations containing vitamin A palmitate and different UV-filters combinations, two of them considered photostable and two of them considered photounstable, were prepared. Solutions of each UV-filter and vitamin under study and solutions of four different combinations under study were also prepared. The phototoxicity was assessed in vitro by the 3T3 NRU phototoxicity test (3T3-NRU-PT) and subsequently in a phototoxicity test on reconstructed human skin model (H3D-PT). Avobenzone presented a pronounced phototoxicity and vitamin A presented a tendency to a weak phototoxic potential. A synergistic effect of vitamin A palmitate on the phototoxicity of combinations containing avobenzone was observed. H3D-PT results did not confirm the positive 3T3-NRU-PT results. However, despite the four formulations studied did not present any acute phototoxicity potential, the combination 2 containing octyl methoxycinnamate (OMC), avobenzone (AVB) and 4-methylbenzilidene camphor (MBC) presented an indication of phototoxicity that should be better investigated in terms of the frequency of photoallergic or chronic phototoxicity in humans, once these tests are scientifically validated only to detect phototoxic potential with the aim of preventing phototoxic reactions in the general population, and positive results cannot predict the exact incidence of phototoxic reactions in humans. Copyright © 2012 Elsevier Ltd. All rights reserved.

Secondary electroosmotic flow in microchannels with nonuniform and asymmetric Zeta potential

NASA Astrophysics Data System (ADS)

Zhang, Jinbai; He, Guowei; Liu, Feng

2004-11-01

Microfluidics has a broad range of applications in biotechnology, such as sample injection, drug delivering, solution mixing, and separations. All of these techniques require handling fluids in the low Reynolds number (Re) regime. Electroosmotic flow (EOF) or electroosmocitcs is the bulk movement of liquid relative to a stationary surface due to an externally applied electronic field. It is an alternative to pressure-driven flows with convenient implementation The driving force for EOF is dependent on the zeta potential. Previous reseraches focus on the nonuniform Zeta potential. In the present work, we consider nonuniform and asymmetric Zeta potential. The effects of asymmetric Zeta potential on the EOF are investigated analytically and simulated numerically. It is demonstrated that the nonuniform and asymmetric Zeta potential can generate more flow patterns for microfluidic control compared to symmetric Zeta potential.

Calibration of thermocouple psychrometers and moisture measurements in porous materials

NASA Astrophysics Data System (ADS)

Guz, Łukasz; Sobczuk, Henryk; Połednik, Bernard; Guz, Ewa

2016-07-01

The paper presents in situ method of peltier psychrometric sensors calibration which allow to determine water potential. Water potential can be easily recalculated into moisture content of the porous material. In order to obtain correct results of water potential, each probe should be calibrated. NaCl salt solutions with molar concentration of 0.4M, 0.7M, 1.0M and 1.4M, were used for calibration which enabled to obtain osmotic potential in range: -1791 kPa to -6487 kPa. Traditionally, the value of voltage generated on thermocouples during wet-bulb temperature depression is calculated in order to determine the calibration function for psychrometric in situ sensors. In the new method of calibration, the field under psychrometric curve along with peltier cooling current and duration was taken into consideration. During calibration, different cooling currents were applied for each salt solution, i.e. 3, 5, 8 mA respectively, as well as different cooling duration for each current (from 2 to 100 sec with 2 sec step). Afterwards, the shape of each psychrometric curve was thoroughly examined and a value of field under psychrometric curve was computed. Results of experiment indicate that there is a robust correlation between field under psychrometric curve and water potential. Calibrations formulas were designated on the basis of these features.

Separation of electrolyte solutions by reverse osmosis.

PubMed

Starov, V M; Churaev, N V

1993-05-09

The paper presented is subdivided into two parts. The first one includes a survey of current notions concerning the physico-chemical nature of interaction potential phi between dissolved molecules or ions and water with a membrane material. Special attention is paid to the structural potential and the potential of image forces. The main conclusion is that the potential of interaction phi determines the major part of phenomena which are relevant for reverse osmosis (RO) separation. In the second part the distribution coefficient gamma = exp (phi) is supposed to be known and a survey of theoretical investigations of RO processes is undertaken. The so called homogeneous model of RO membranes is employed and concentration polarization is taken into account. Two main points in this investigation should be emphasized, that is, taking into account concentration polarization and a theory of RO separation of electrolyte mixtures. The maximum value of rejection coefficient and corresponding optimum velocity of filtration are calculated. Negative rejection of some ions from the mixture is explained, as well as a change in pH of filtrate. The streaming potential is calculated as a function of Peclet number, distribution coefficients, membrane charge and so on in all cases. The suggested theory gives the possibility to explain a number of phenomena in RO separation of electrolyte solutions.

Electroosmotic flow of Phan-Thien-Tanner fluids at high zeta potentials: An exact analytical solution

NASA Astrophysics Data System (ADS)

Sarma, Rajkumar; Deka, Nabajit; Sarma, Kuldeep; Mondal, Pranab Kumar

2018-06-01

We present a mathematical model to study the electroosmotic flow of a viscoelastic fluid in a parallel plate microchannel with a high zeta potential, taking hydrodynamic slippage at the walls into account in the underlying analysis. We use the simplified Phan-Thien-Tanner (s-PTT) constitutive relationships to describe the rheological behavior of the viscoelastic fluid, while Navier's slip law is employed to model the interfacial hydrodynamic slip. Here, we derive analytical solutions for the potential distribution, flow velocity, and volumetric flow rate based on the complete Poisson-Boltzmann equation (without considering the frequently used Debye-Hückel linear approximation). For the underlying electrokinetic transport, this investigation primarily reveals the influence of fluid rheology, wall zeta potential as modulated by the interfacial electrochemistry and interfacial slip on the velocity distribution, volumetric flow rate, and fluid stress, as well as the apparent viscosity. We show that combined with the viscoelasticity of the fluid, a higher wall zeta potential and slip coefficient lead to a phenomenal enhancement in the volumetric flow rate. We believe that this analysis, besides providing a deep theoretical insight to interpret the transport process, will also serve as a fundamental design tool for microfluidic devices/systems under electrokinetic influence.

Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the framework of cell model.

PubMed

Wang, Ke; Yu, Yang-Xin; Gao, Guang-Hua

2008-05-14

A density functional theory (DFT) in the framework of cell model is proposed to calculate the structural and thermodynamic properties of aqueous DNA-electrolyte solution with finite DNA concentrations. The hard-sphere contribution to the excess Helmholtz energy functional is derived from the modified fundamental measure theory, and the electrostatic interaction is evaluated through a quadratic functional Taylor expansion around a uniform fluid. The electroneutrality in the cell leads to a variational equation with a constraint. Since the reference fluid is selected to be a bulk phase, the Lagrange multiplier proves to be the potential drop across the cell boundary (Donnan potential). The ion profiles and electrostatic potential profiles in the cell are calculated from the present DFT-cell model. Our DFT-cell model gives better prediction of ion profiles than the Poisson-Boltzmann (PB)- or modified PB-cell models when compared to the molecular simulation data. The effects of polyelectrolyte concentration, ion size, and added-salt concentration on the electrostatic potential difference between the DNA surface and the cell boundary are investigated. The expression of osmotic coefficient is derived from the general formula of grand potential. The osmotic coefficients predicted by the DFT are lower than the PB results and are closer to the simulation results and experimental data.

Simple iterative construction of the optimized effective potential for orbital functionals, including exact exchange.

PubMed

Kümmel, Stephan; Perdew, John P

2003-01-31

For exchange-correlation functionals that depend explicitly on the Kohn-Sham orbitals, the potential V(xcsigma)(r) must be obtained as the solution of the optimized effective potential (OEP) integral equation. This is very demanding and has limited the use of orbital functionals. We demonstrate that instead the OEP can be obtained iteratively by solving the partial differential equations for the orbital shifts that exactify the Krieger-Li-Iafrate approximation. Unoccupied orbitals do not need to be calculated. Accuracy and efficiency of the method are shown for atoms and clusters using the exact-exchange energy. Counterintuitive asymptotic limits of the exact OEP are presented.

The Potential-Well Distortion Effect and Coherent Instabilities of Electron Bunches in Storage Rings

NASA Astrophysics Data System (ADS)

Korchuganov, V. N.; Smygacheva, A. S.; Fomin, E. A.

2018-05-01

The effect of electromagnetic interaction between electron bunches and the vacuum chamber of a storage ring on the longitudinal motion of bunches is studied. Specifically, the potential-well distortion effect and the so-called coherent instabilities of coupled bunches are considered. An approximate analytical solution for the frequencies of incoherent oscillations of bunches distributed arbitrarily within the ring is obtained for a distorted potential well. A new approach to determining frequencies of coherent oscillations and an approximate analytical relation for estimating the stability of a system of bunches as a function of their distribution in the accelerator orbit are presented.

Characterization of reaction kinetics in a porous electrode

NASA Technical Reports Server (NTRS)

Fedkiw, Peter S.

1990-01-01

A continuum-model approach, analogous to porous electrode theory, was applied to a thin-layer cell of rectangular and cylindrical geometry. A reversible redox couple is assumed, and the local reaction current density is related to the potential through the formula of Hubbard and Anson for a uniformily accessible thin-layer cell. The placement of the reference electrode is also accounted for in the analysis. Primary emphasis is placed on the effect of the solution-phase ohmic potential drop on the voltammogram characteristics. Correlation equations for the peak-potential displacement from E(sup 0 prime) and the peak current are presented in terms of two dimensionless parameters.

Electroelastic fields in a layered piezoelectric cylindrical shell under dynamic load

NASA Astrophysics Data System (ADS)

Saviz, M. R.; Shakeri, M.; Yas, M. H.

2007-10-01

The objective of this paper is to demonstrate layerwise theory for the analysis of thick laminated piezoelectric shell structures. A general finite element formulation using the layerwise theory is developed for a laminated cylindrical shell with piezoelectric layers, subjected to dynamic loads. The quadratic approximation of the displacement and electric potential in the thickness direction is considered. The governing equations are reduced to two-dimensional (2D) differential equations. The three-dimensional (3D) elasticity solution is also presented. The resulting equations are solved by a proper finite element method. The numerical results for static loading are compared with exact solutions of benchmark problems. Numerical examples of the dynamic problem are presented. The convergence is studied, as is the influence of the electromechanical coupling on the axisymmetric free-vibration characteristics of a thick cylinder.

A Fast and Robust Poisson-Boltzmann Solver Based on Adaptive Cartesian Grids

PubMed Central

Boschitsch, Alexander H.; Fenley, Marcia O.

2011-01-01

An adaptive Cartesian grid (ACG) concept is presented for the fast and robust numerical solution of the 3D Poisson-Boltzmann Equation (PBE) governing the electrostatic interactions of large-scale biomolecules and highly charged multi-biomolecular assemblies such as ribosomes and viruses. The ACG offers numerous advantages over competing grid topologies such as regular 3D lattices and unstructured grids. For very large biological molecules and multi-biomolecule assemblies, the total number of grid-points is several orders of magnitude less than that required in a conventional lattice grid used in the current PBE solvers thus allowing the end user to obtain accurate and stable nonlinear PBE solutions on a desktop computer. Compared to tetrahedral-based unstructured grids, ACG offers a simpler hierarchical grid structure, which is naturally suited to multigrid, relieves indirect addressing requirements and uses fewer neighboring nodes in the finite difference stencils. Construction of the ACG and determination of the dielectric/ionic maps are straightforward, fast and require minimal user intervention. Charge singularities are eliminated by reformulating the problem to produce the reaction field potential in the molecular interior and the total electrostatic potential in the exterior ionic solvent region. This approach minimizes grid-dependency and alleviates the need for fine grid spacing near atomic charge sites. The technical portion of this paper contains three parts. First, the ACG and its construction for general biomolecular geometries are described. Next, a discrete approximation to the PBE upon this mesh is derived. Finally, the overall solution procedure and multigrid implementation are summarized. Results obtained with the ACG-based PBE solver are presented for: (i) a low dielectric spherical cavity, containing interior point charges, embedded in a high dielectric ionic solvent – analytical solutions are available for this case, thus allowing rigorous assessment of the solution accuracy; (ii) a pair of low dielectric charged spheres embedded in a ionic solvent to compute electrostatic interaction free energies as a function of the distance between sphere centers; (iii) surface potentials of proteins, nucleic acids and their larger-scale assemblies such as ribosomes; and (iv) electrostatic solvation free energies and their salt sensitivities – obtained with both linear and nonlinear Poisson-Boltzmann equation – for a large set of proteins. These latter results along with timings can serve as benchmarks for comparing the performance of different PBE solvers. PMID:21984876

Dynamical analysis of tachyonic chameleon

NASA Astrophysics Data System (ADS)

Banijamali, Ali; Solbi, Milad

2017-08-01

In the present paper we investigate tachyonic chameleon scalar field and present the phase space analysis for four different combinations of the tachyonic potential V(φ ) and the coupling function f(φ ) of the chameleon field with matter. We find some stable solution in which accelerated expansion of the universe is satisfied. In one case where both f(φ ) and V(φ ) are exponential a scaling attractor was found that can give rise to the late-time acceleration of the universe and alleviate the coincidence problem.

Analytical and numerical analysis of the slope of von Mises planar trusses

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

Kalina, M.; Frantík, P.

2016-06-08

In the present paper, there are presented post-critical stress states which will occur at loading by vertical shift of the top joint in the direction downwards. The formation of certain stress states depends on the size of the angle formed by a straight beam of the von Mises planar truss with horizontal plane. Numerical and analytical methods and their problems with finding the angle were described. The numerical solution applies the method of searching for a minimum of potential energy.

Tuning coercive force by adjusting electric potential in solution processed Co/Pt(111) and the mechanism involved

PubMed Central

Chang, Cheng-Hsun-Tony; Kuo, Wei-Hsu; Chang, Yu-Chieh; Tsay, Jyh-Shen; Yau, Shueh-Lin

2017-01-01

A combination of a solution process and the control of the electric potential for magnetism represents a new approach to operating spintronic devices with a highly controlled efficiency and lower power consumption with reduced production cost. As a paradigmatic example, we investigated Co/Pt(111) in the Bloch-wall regime. The depression in coercive force was detected by applying a negative electric potential in an electrolytic solution. The reversible control of coercive force by varying the electric potential within few hundred millivolts is demonstrated. By changing the electric potential in ferromagnetic layers with smaller thicknesses, the efficiency for controlling the tunable coercive force becomes higher. Assuming that the pinning domains are independent of the applied electric potential, an electric potential tuning-magnetic anisotropy energy model was derived and provided insights into our knowledge of the relation between the electric potential tuning coercive force and the thickness of the ferromagnetic layer. Based on the fact that the coercive force can be tuned by changing the electric potential using a solution process, we developed a novel concept of electric-potential-tuned magnetic recording, resulting in a stable recording media with a high degree of writing ability. PMID:28255160

Cleaning of first mirrors in ITER by means of radio frequency discharges.

PubMed

Leipold, F; Reichle, R; Vorpahl, C; Mukhin, E E; Dmitriev, A M; Razdobarin, A G; Samsonov, D S; Marot, L; Moser, L; Steiner, R; Meyer, E

2016-11-01

First mirrors of optical diagnostics in ITER are subject to charge exchange fluxes of Be, W, and potentially other elements. This may degrade the optical performance significantly via erosion or deposition. In order to restore reflectivity, cleaning by applying radio frequency (RF) power to the mirror itself and thus creating a discharge in front of the mirror will be used. The plasma generated in front of the mirror surface sputters off deposition, restoring its reflectivity. Although the functionality of such a mirror cleaning technique is proven in laboratory experiments, the technical implementation in ITER revealed obstacles which needs to be overcome: Since the discharge as an RF load in general is not very well matched to the power generator and transmission line, power reflections will occur leading to a thermal load of the cable. Its implementation for ITER requires additional R&D. This includes the design of mirrors as RF electrodes, as well as feeders and matching networks inside the vacuum vessel. Mitigation solutions will be evaluated and discussed. Furthermore, technical obstacles (i.e., cooling water pipes for the mirrors) need to be solved. Since cooling water lines are usually on ground potential at the feed through of the vacuum vessel, a solution to decouple the ground potential from the mirror would be a major simplification. Such a solution will be presented.

Active colloids in the context of chemical kinetics

NASA Astrophysics Data System (ADS)

Oshanin, G.; Popescu, M. N.; Dietrich, S.

2017-03-01

We study a mesoscopic model of a chemically active colloidal particle which on certain parts of its surface promotes chemical reactions in the surrounding solution. For reasons of simplicity and conceptual clarity, we focus on the case in which only electrically neutral species are present in the solution and on chemical reactions which are described by first order kinetics. Within a self-consistent approach we explicitly determine the steady state product and reactant number density fields around the colloid as functionals of the interaction potentials of the various molecular species in solution with the colloid. By using a reciprocal theorem, this allows us to compute and to interpret—in a transparent way in terms of the classical Smoluchowski theory of chemical kinetics—the external force needed to keep such a catalytically active colloid at rest (stall force) or, equivalently, the corresponding velocity of the colloid if it is free to move. We use the particular case of triangular-well interaction potentials as a benchmark example for applying the general theoretical framework developed here. For this latter case, we derive explicit expressions for the dependences of the quantities of interest on the diffusion coefficients of the chemical species, the reaction rate constant, the coverage by catalyst, the size of the colloid, as well as on the parameters of the interaction potentials. These expressions provide a detailed picture of the phenomenology associated with catalytically-active colloids and self-diffusiophoresis.

Analyses of the genotoxic and mutagenic potential of the products formed after the biotransformation of the azo dye Disperse Red 1.

PubMed

Chequer, Farah Maria Drumond; Lizier, Thiago Mescoloto; de Felício, Rafael; Zanoni, Maria Valnice Boldrin; Debonsi, Hosana Maria; Lopes, Norberto Peporine; Marcos, Ricard; de Oliveira, Danielle Palma

2011-12-01

Azo dyes constitute the largest class of synthetic dyes. Following oral exposure, these dyes can be reduced to aromatic amines by the intestinal microflora or liver enzymes. This work identified the products formed after oxidation and reduction of the dye Disperse Red 1, simulating hepatic biotransformation and evaluated the mutagenic potential of the resultant solution. Controlled potential electrolysis was carried out on dye solution using a Potentiostat/Galvanostat. HPLC-DAD and GC/MS were used to determine the products generated after the oxidation/reduction process. The Salmonella/microsome assay with the strains TA98 and YG1041 without S9, and the mouse lymphoma assay (MLA) using the thymidine kinase (Tk) gene, were used to evaluate the mutagenicity of the products formed. Sulfate 2-[(4-aminophenyl)ethylamino]-ethanol monohydrate, nitrobenzene, 4-nitro-benzamine and 2-(ethylphenylamino)-ethanol were detected. This dye has already being assigned as mutagenic in different cell system. In addition, after the oxidation/reduction process the dye still had mutagenic activity for the Salmonella/microsome assay. Nevertheless, both the original dye Disperse Red 1 and its treated solutions showed negative results in the MLA. The present results suggest that the ingestion of water and food contaminated with this dye may represent human and environmental health problem, due to the generation of harmful compounds after biotransformation. Copyright © 2011 Elsevier Ltd. All rights reserved.

Solution or suspension - Does it matter for lipid based systems? In vivo studies of chase dosing lipid vehicles with aqueous suspensions of a poorly soluble drug.

PubMed

Larsen, A T; Holm, R; Müllertz, A

2017-08-01

In this study, the potential of co-administering an aqueous suspension with a placebo lipid vehicle, i.e. chase dosing, was investigated in rats relative to the aqueous suspension alone or a solution of the drug in the lipid vehicle. The lipid investigated in the present study was Labrafil M2125CS and three evaluated poorly soluble model compounds, danazol, cinnarizine and halofantrine. For cinnarizine and danazol the oral bioavailability in rats after chase dosing or dosing the compound dissolved in Labrafil M21515CS was similar and significantly higher than for the aqueous suspension. For halofantrine the chase dosed group had a tendency towards a low bioavailability relative to the Labrafil M2125CS solution, but still a significant higher bioavailability relative to the aqueous suspension. This could be due to factors such as a slower dissolution rate in the intestinal phase of halofantrine or a lower solubility in the colloidal structures formed during digestion, but other mechanisms may also be involved. The study thereby supported the potential of chase dosing as a potential dosing regimen in situations where it is beneficial to have a drug in the solid state, e.g. due to chemical stability issues in the lipid vehicle. Copyright © 2017 Elsevier B.V. All rights reserved.

Eulerian velocity reconstruction in ideal atmospheric dynamics using potential vorticity and potential temperature

NASA Astrophysics Data System (ADS)

Blender, R.

2009-04-01

An approach for the reconstruction of atmospheric flow is presented which uses space- and time-dependent fields of density ?, potential vorticity Q and potential temperature Î& cedil;[J. Phys. A, 38, 6419 (2005)]. The method is based on the fundamental equations without approximation. The basic idea is to consider the time-dependent continuity equation as a condition for zero divergence of momentum in four dimensions (time and space, with unit velocity in time). This continuity equation is solved by an ansatz for the four-dimensional momentum using three conserved stream functions, the potential vorticity, potential temperature and a third field, denoted as ?-potential. In zonal flows, the ?-potential identifies the initial longitude of particles, whereas potential vorticity and potential temperature identify mainly meridional and vertical positions. Since the Lagrangian tracers Q, Î&,cedil; and ? determine the Eulerian velocity field, the reconstruction combines the Eulerian and the Lagrangian view of hydrodynamics. In stationary flows, the ?-potential is related to the Bernoulli function. The approach requires that the gradients of the potential vorticity and potential temperature do not vanish when the velocity remains finite. This behavior indicates a possible interrelation with stability conditions. Examples with analytical solutions are presented for a Rossby wave and zonal and rotational shear flows.